edge_index
listlengths 2
2
| edge_attr
listlengths 4
176
| x
listlengths 3
88
| ba_edge_index
listlengths 2
2
| ba_edge_attr
listlengths 2
244
| fra_edge_index
listlengths 2
2
| fra_edge_attr
listlengths 4
152
| cluster_idx
listlengths 3
88
| bafra_edge_index
listlengths 2
2
| bafra_edge_attr
listlengths 0
232
| smiles
stringlengths 3
101
|
|---|---|---|---|---|---|---|---|---|---|---|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
8,
25,
25,
26,
25,
27,
6,
28,
28,
29,
1,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
37,
38,
38,
39,
29,
3,
39,
30,
16,
12,
24,
19,
39,
34
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
8,
26,
25,
27,
25,
28,
6,
29,
28,
30,
1,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
38,
37,
39,
38,
3,
29,
30,
39,
12,
16,
19,
24,
34,
39
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
58,
58,
3,
3,
4,
4,
5,
6,
79,
7,
7,
8,
9,
10,
10,
11,
12,
54,
13,
13,
14,
14,
15,
16,
48,
48,
17,
17,
18,
18,
19,
22,
22,
21,
21,
23,
23,
24,
83,
83,
25,
25,
26,
27,
28,
29,
30,
30,
82,
82,
31,
32,
32,
33,
33,
36,
36,
35,
35,
37,
37,
38,
85,
39,
39,
40,
41,
42,
43,
44,
45,
46,
84,
84,
47,
49,
49,
51,
51,
53,
53,
55,
55,
56,
78,
78,
57,
59,
59,
60,
81,
81,
61,
61,
62,
63,
64,
65,
66,
66,
67,
68,
87,
87,
69,
69,
70,
71,
72,
73,
74,
75,
76,
76,
80,
80,
86,
86,
77
],
[
2,
58,
4,
60,
81,
1,
58,
6,
79,
3,
8,
57,
5,
79,
10,
7,
12,
54,
9,
14,
56,
11,
54,
16,
48,
13,
18,
50,
52,
15,
48,
20,
22,
17,
24,
83,
19,
22,
19,
20,
26,
31,
32,
23,
83,
28,
25,
30,
27,
82,
32,
23,
24,
29,
34,
36,
82,
31,
38,
85,
33,
36,
33,
34,
40,
47,
37,
85,
42,
39,
44,
41,
46,
43,
84,
37,
38,
45,
15,
16,
49,
52,
49,
50,
11,
12,
78,
5,
6,
55,
1,
2,
62,
86,
77,
59,
81,
64,
61,
66,
63,
68,
87,
65,
70,
80,
77,
67,
87,
72,
69,
74,
71,
76,
73,
80,
86,
59,
60,
67,
68,
75
]
] |
[
[
2.2336153984069824
],
[
2.0702438354492188
],
[
2.2233595848083496
],
[
2.0502936840057373
],
[
2.117886781692505
],
[
2.2336153984069824
],
[
1.9792158603668213
],
[
2.0444037914276123
],
[
2.1649279594421387
],
[
2.2233595848083496
],
[
2.1068148612976074
],
[
2.103614568710327
],
[
2.0444037914276123
],
[
2.0737125873565674
],
[
2.103423595428467
],
[
2.1068148612976074
],
[
2.0953495502471924
],
[
2.0724430084228516
],
[
2.103423595428467
],
[
1.9592593908309937
],
[
2.10630464553833
],
[
2.0953495502471924
],
[
2.1149678230285645
],
[
1.9515783786773682
],
[
1.911098599433899
],
[
1.9592593908309937
],
[
2.122926712036133
],
[
2.2178239822387695
],
[
1.9830348491668701
],
[
1.9515783786773682
],
[
1.9153575897216797
],
[
2.120457172393799
],
[
2.015488386154175
],
[
2.122926712036133
],
[
1.939077377319336
],
[
1.9978299140930176
],
[
2.120457172393799
],
[
2.1405670642852783
],
[
2.015488386154175
],
[
2.1405670642852783
],
[
1.8271920680999756
],
[
1.9866538047790527
],
[
2.09924054145813
],
[
1.939077377319336
],
[
1.8687095642089844
],
[
1.6425341367721558
],
[
1.8271920680999756
],
[
1.8725788593292236
],
[
1.6425341367721558
],
[
1.9866538047790527
],
[
2.177529811859131
],
[
1.9978299140930176
],
[
1.8687095642089844
],
[
1.8725788593292236
],
[
2.138519287109375
],
[
2.0727250576019287
],
[
2.09924054145813
],
[
2.177529811859131
],
[
2.0983352661132812
],
[
2.0752296447753906
],
[
2.138519287109375
],
[
2.070821523666382
],
[
2.0727250576019287
],
[
2.070821523666382
],
[
2.0840542316436768
],
[
2.084294557571411
],
[
2.0983352661132812
],
[
2.1089906692504883
],
[
2.0943145751953125
],
[
2.0840542316436768
],
[
2.100126266479492
],
[
2.0943145751953125
],
[
2.0941827297210693
],
[
2.100126266479492
],
[
2.084294557571411
],
[
2.0752296447753906
],
[
2.1089906692504883
],
[
2.0941827297210693
],
[
1.911098599433899
],
[
1.9153575897216797
],
[
2.2178239822387695
],
[
2.0822925567626953
],
[
1.9830348491668701
],
[
2.0822925567626953
],
[
2.0724430084228516
],
[
2.1149678230285645
],
[
2.103614568710327
],
[
2.1649279594421387
],
[
2.0737125873565674
],
[
2.10630464553833
],
[
2.0702438354492188
],
[
1.9792158603668213
],
[
2.049010753631592
],
[
2.027217149734497
],
[
2.1795902252197266
],
[
2.0502936840057373
],
[
2.11495304107666
],
[
2.1570792198181152
],
[
2.049010753631592
],
[
2.0732502937316895
],
[
2.1570792198181152
],
[
2.06575608253479
],
[
2.1445655822753906
],
[
2.0732502937316895
],
[
2.1297826766967773
],
[
2.027217149734497
],
[
2.0762972831726074
],
[
2.06575608253479
],
[
2.072831153869629
],
[
2.0883193016052246
],
[
2.1297826766967773
],
[
2.0856728553771973
],
[
2.0883193016052246
],
[
2.1134111881256104
],
[
2.0856728553771973
],
[
2.1795902252197266
],
[
2.0762972831726074
],
[
2.117886781692505
],
[
2.11495304107666
],
[
2.1445655822753906
],
[
2.072831153869629
],
[
2.1134111881256104
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
7,
8,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
17,
18,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
8,
25,
25,
26,
25,
27,
6,
28,
28,
29,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
37,
38,
38,
39,
29,
3,
39,
30,
16,
12,
24,
19,
39,
34
],
[
1,
0,
4,
3,
5,
4,
6,
5,
8,
7,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
18,
17,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
8,
26,
25,
27,
25,
28,
6,
29,
28,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
38,
37,
39,
38,
3,
29,
30,
39,
12,
16,
19,
24,
34,
39
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
3,
3,
4,
5,
5,
6,
6,
6,
6,
6,
7,
7,
8,
8,
8,
8,
8,
8,
3,
3,
3,
2,
2,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] |
[
[
2,
61,
3,
4,
5,
6,
7,
38,
8,
32,
32,
12,
65,
13,
14,
15,
16,
17,
18,
64,
19,
22,
67,
23,
24,
25,
26,
27,
28,
29,
30,
66,
31,
33,
35,
35,
37,
37,
39,
40,
60,
41,
42,
63,
63,
43,
44,
45,
46,
47,
48,
48,
49,
50,
69,
69,
51,
51,
52,
53,
54,
55,
56,
57,
58,
58,
62,
68,
68,
59
],
[
4,
41,
61,
6,
3,
38,
5,
40,
32,
34,
36,
14,
19,
65,
16,
13,
18,
15,
64,
12,
17,
24,
31,
67,
26,
23,
28,
25,
30,
27,
66,
22,
29,
9,
33,
36,
33,
34,
7,
60,
2,
39,
44,
68,
59,
63,
46,
43,
48,
45,
50,
69,
47,
52,
62,
59,
49,
69,
54,
51,
56,
53,
58,
55,
62,
68,
42,
49,
50,
57
]
] |
[
[
2.1068148612976074
],
[
2.103614568710327
],
[
2.0737125873565674
],
[
2.103423595428467
],
[
2.1068148612976074
],
[
2.0724430084228516
],
[
2.103423595428467
],
[
2.10630464553833
],
[
1.911098599433899
],
[
2.2178239822387695
],
[
1.9830348491668701
],
[
1.8271920680999756
],
[
1.9866538047790527
],
[
1.8687095642089844
],
[
1.6425341367721558
],
[
1.8271920680999756
],
[
1.8725788593292236
],
[
1.6425341367721558
],
[
1.9866538047790527
],
[
1.8687095642089844
],
[
1.8725788593292236
],
[
2.0840542316436768
],
[
2.084294557571411
],
[
2.1089906692504883
],
[
2.0943145751953125
],
[
2.0840542316436768
],
[
2.100126266479492
],
[
2.0943145751953125
],
[
2.0941827297210693
],
[
2.100126266479492
],
[
2.084294557571411
],
[
2.1089906692504883
],
[
2.0941827297210693
],
[
1.911098599433899
],
[
2.2178239822387695
],
[
2.0822925567626953
],
[
1.9830348491668701
],
[
2.0822925567626953
],
[
2.0724430084228516
],
[
2.103614568710327
],
[
2.0737125873565674
],
[
2.10630464553833
],
[
2.049010753631592
],
[
2.027217149734497
],
[
2.1795902252197266
],
[
2.11495304107666
],
[
2.1570792198181152
],
[
2.049010753631592
],
[
2.0732502937316895
],
[
2.1570792198181152
],
[
2.06575608253479
],
[
2.1445655822753906
],
[
2.0732502937316895
],
[
2.1297826766967773
],
[
2.027217149734497
],
[
2.0762972831726074
],
[
2.06575608253479
],
[
2.072831153869629
],
[
2.0883193016052246
],
[
2.1297826766967773
],
[
2.0856728553771973
],
[
2.0883193016052246
],
[
2.1134111881256104
],
[
2.0856728553771973
],
[
2.1795902252197266
],
[
2.0762972831726074
],
[
2.11495304107666
],
[
2.1445655822753906
],
[
2.072831153869629
],
[
2.1134111881256104
]
] |
O=C(Nc1ccc(CC(NC(=O)C2CSCN2C(=O)c2ccccc2)C(=O)O)cc1)c1ccnc2ccccc12
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
9,
12,
12,
1,
8,
3
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
9,
1,
12,
3,
8
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
]
] |
[
[
0,
0,
2,
25,
3,
3,
4,
4,
5,
6,
27,
27,
7,
7,
8,
9,
10,
11,
12,
13,
14,
14,
26,
26,
15,
16,
16,
16,
17,
17,
22,
19,
19,
19,
21,
21,
21,
24,
24,
23,
23,
23
],
[
2,
25,
4,
23,
1,
25,
6,
27,
3,
8,
15,
16,
5,
27,
10,
7,
12,
9,
14,
11,
26,
16,
5,
6,
13,
18,
20,
22,
26,
15,
24,
17,
20,
22,
17,
18,
22,
1,
2,
17,
18,
20
]
] |
[
[
2.0962204933166504
],
[
2.013826370239258
],
[
2.1294407844543457
],
[
2.146868944168091
],
[
2.0962204933166504
],
[
2.1725640296936035
],
[
2.0437779426574707
],
[
2.1919546127319336
],
[
2.1294407844543457
],
[
2.1170146465301514
],
[
2.136427164077759
],
[
2.0617854595184326
],
[
2.0437779426574707
],
[
2.047258138656616
],
[
2.0964226722717285
],
[
2.1170146465301514
],
[
2.0876729488372803
],
[
2.0964226722717285
],
[
2.081418991088867
],
[
2.0876729488372803
],
[
2.136427164077759
],
[
2.084923267364502
],
[
2.1919546127319336
],
[
2.047258138656616
],
[
2.081418991088867
],
[
1.8906164169311523
],
[
1.8920223712921143
],
[
1.8000297546386719
],
[
2.0617854595184326
],
[
2.084923267364502
],
[
2.146868944168091
],
[
1.8906164169311523
],
[
2.1204633712768555
],
[
1.8528947830200195
],
[
1.8920223712921143
],
[
2.1204633712768555
],
[
1.8816304206848145
],
[
2.013826370239258
],
[
2.1725640296936035
],
[
1.8000297546386719
],
[
1.8528947830200195
],
[
1.8816304206848145
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
9,
12,
12,
1,
8,
3
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
9,
1,
12,
3,
8
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
25,
3,
3,
4,
4,
5,
6,
27,
27,
7,
7,
8,
9,
10,
11,
12,
13,
14,
14,
26,
26,
15,
16,
16,
16,
17,
17,
22,
19,
19,
19,
21,
21,
21,
24,
24,
23,
23,
23
],
[
2,
25,
4,
23,
1,
25,
6,
27,
3,
8,
15,
16,
5,
27,
10,
7,
12,
9,
14,
11,
26,
16,
5,
6,
13,
18,
20,
22,
26,
15,
24,
17,
20,
22,
17,
18,
22,
1,
2,
17,
18,
20
]
] |
[
[
2.0962204933166504
],
[
2.013826370239258
],
[
2.1294407844543457
],
[
2.146868944168091
],
[
2.0962204933166504
],
[
2.1725640296936035
],
[
2.0437779426574707
],
[
2.1919546127319336
],
[
2.1294407844543457
],
[
2.1170146465301514
],
[
2.136427164077759
],
[
2.0617854595184326
],
[
2.0437779426574707
],
[
2.047258138656616
],
[
2.0964226722717285
],
[
2.1170146465301514
],
[
2.0876729488372803
],
[
2.0964226722717285
],
[
2.081418991088867
],
[
2.0876729488372803
],
[
2.136427164077759
],
[
2.084923267364502
],
[
2.1919546127319336
],
[
2.047258138656616
],
[
2.081418991088867
],
[
1.8906164169311523
],
[
1.8920223712921143
],
[
1.8000297546386719
],
[
2.0617854595184326
],
[
2.084923267364502
],
[
2.146868944168091
],
[
1.8906164169311523
],
[
2.1204633712768555
],
[
1.8528947830200195
],
[
1.8920223712921143
],
[
2.1204633712768555
],
[
1.8816304206848145
],
[
2.013826370239258
],
[
2.1725640296936035
],
[
1.8000297546386719
],
[
1.8528947830200195
],
[
1.8816304206848145
]
] |
CC1=Nc2ccccc2S(=O)(=O)N1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
1,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
17,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
21,
27,
10,
5,
27,
14,
20,
18,
26,
24
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
1,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
17,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
21,
5,
10,
14,
27,
18,
20,
24,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
0,
4,
20,
3,
3,
3,
5,
5,
5,
6,
7,
8,
8,
9,
10,
55,
11,
11,
12,
13,
14,
15,
16,
17,
18,
54,
54,
19,
21,
21,
21,
22,
22,
23,
26,
26,
25,
25,
27,
27,
28,
57,
29,
29,
30,
31,
32,
32,
33,
34,
34,
40,
40,
35,
35,
36,
59,
37,
37,
38,
58,
58,
39,
41,
41,
42,
52,
43,
43,
44,
45,
46,
46,
47,
48,
61,
49,
49,
50,
60,
60,
51,
56,
56,
53,
53
],
[
2,
4,
20,
6,
22,
1,
4,
20,
1,
2,
20,
8,
5,
10,
55,
7,
12,
19,
9,
55,
14,
11,
16,
13,
18,
15,
54,
9,
10,
17,
1,
2,
4,
24,
26,
21,
28,
57,
23,
26,
23,
24,
30,
53,
27,
57,
32,
29,
34,
40,
31,
36,
59,
42,
52,
33,
40,
38,
39,
35,
59,
58,
35,
36,
37,
33,
34,
44,
56,
41,
52,
46,
43,
48,
61,
45,
50,
51,
47,
61,
60,
47,
48,
49,
27,
28,
41,
42
]
] |
[
[
1.9164769649505615
],
[
1.922632098197937
],
[
1.9208793640136719
],
[
2.027010202407837
],
[
2.2132275104522705
],
[
1.9164769649505615
],
[
1.930044412612915
],
[
1.913623332977295
],
[
1.922632098197937
],
[
1.930044412612915
],
[
1.859483242034912
],
[
1.9535475969314575
],
[
2.027010202407837
],
[
1.9426542520523071
],
[
1.9824081659317017
],
[
1.9535475969314575
],
[
1.9894570112228394
],
[
1.9944581985473633
],
[
1.9426542520523071
],
[
1.8788005113601685
],
[
1.9425694942474365
],
[
1.9894570112228394
],
[
1.9331635236740112
],
[
1.9425694942474365
],
[
1.9454705715179443
],
[
1.9331635236740112
],
[
1.9944581985473633
],
[
1.9824081659317017
],
[
1.8788005113601685
],
[
1.9454705715179443
],
[
1.9208793640136719
],
[
1.913623332977295
],
[
1.859483242034912
],
[
2.18619966506958
],
[
1.9819707870483398
],
[
2.2132275104522705
],
[
2.0990843772888184
],
[
2.0208916664123535
],
[
2.18619966506958
],
[
2.11495304107666
],
[
1.9819707870483398
],
[
2.11495304107666
],
[
2.0573487281799316
],
[
2.0324130058288574
],
[
2.0990843772888184
],
[
2.1630845069885254
],
[
2.1107869148254395
],
[
2.0573487281799316
],
[
2.1160783767700195
],
[
2.0229239463806152
],
[
2.1107869148254395
],
[
2.0913162231445312
],
[
2.1081414222717285
],
[
2.030618906021118
],
[
2.179690361022949
],
[
2.1160783767700195
],
[
2.1437182426452637
],
[
1.0532824993133545
],
[
1.052631139755249
],
[
2.0913162231445312
],
[
1.035702109336853
],
[
1.052631139755249
],
[
2.1081414222717285
],
[
1.035702109336853
],
[
1.0532824993133545
],
[
2.0229239463806152
],
[
2.1437182426452637
],
[
2.0153706073760986
],
[
2.0324130058288574
],
[
2.030618906021118
],
[
2.0724616050720215
],
[
1.927451729774475
],
[
2.0153706073760986
],
[
2.1019773483276367
],
[
2.105499267578125
],
[
1.927451729774475
],
[
1.0480825901031494
],
[
1.0485379695892334
],
[
2.1019773483276367
],
[
1.0449953079223633
],
[
1.0485379695892334
],
[
2.105499267578125
],
[
1.0449953079223633
],
[
1.0480825901031494
],
[
2.0208916664123535
],
[
2.1630845069885254
],
[
2.179690361022949
],
[
2.0724616050720215
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
12,
13,
14,
15,
15,
16,
16,
17,
18,
19,
19,
20,
17,
21,
24,
25,
25,
26,
21,
27,
10,
5,
27,
14,
20,
18,
26,
24
],
[
1,
0,
2,
1,
3,
1,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
13,
12,
15,
14,
16,
15,
17,
16,
19,
18,
20,
19,
21,
17,
25,
24,
26,
25,
27,
21,
5,
10,
14,
27,
18,
20,
24,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
3,
3,
4,
4,
4,
4,
5,
5,
5,
4,
6,
7,
8,
8,
8,
4
] |
[
[
0,
0,
4,
3,
3,
5,
5,
7,
8,
39,
9,
10,
11,
12,
13,
14,
15,
16,
38,
17,
20,
41,
21,
22,
23,
24,
25,
30,
26,
43,
27,
28,
42,
29,
31,
36,
32,
45,
33,
34,
44,
35,
40,
37
],
[
2,
4,
6,
1,
4,
1,
2,
5,
10,
17,
39,
12,
9,
14,
11,
16,
13,
38,
8,
15,
22,
37,
41,
24,
21,
30,
23,
36,
28,
29,
43,
42,
26,
27,
25,
40,
34,
35,
45,
44,
32,
33,
20,
31
]
] |
[
[
1.9164769649505615
],
[
1.922632098197937
],
[
2.027010202407837
],
[
1.9164769649505615
],
[
1.930044412612915
],
[
1.922632098197937
],
[
1.930044412612915
],
[
2.027010202407837
],
[
1.9894570112228394
],
[
1.9944581985473633
],
[
1.8788005113601685
],
[
1.9425694942474365
],
[
1.9894570112228394
],
[
1.9331635236740112
],
[
1.9425694942474365
],
[
1.9454705715179443
],
[
1.9331635236740112
],
[
1.9944581985473633
],
[
1.8788005113601685
],
[
1.9454705715179443
],
[
2.0573487281799316
],
[
2.0324130058288574
],
[
2.1630845069885254
],
[
2.1107869148254395
],
[
2.0573487281799316
],
[
2.0229239463806152
],
[
2.1107869148254395
],
[
2.179690361022949
],
[
1.0532824993133545
],
[
1.052631139755249
],
[
1.035702109336853
],
[
1.052631139755249
],
[
1.035702109336853
],
[
1.0532824993133545
],
[
2.0229239463806152
],
[
2.0324130058288574
],
[
1.0480825901031494
],
[
1.0485379695892334
],
[
1.0449953079223633
],
[
1.0485379695892334
],
[
1.0449953079223633
],
[
1.0480825901031494
],
[
2.1630845069885254
],
[
2.179690361022949
]
] |
CC(C)(CCN1CCOCC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
11,
20,
20,
21,
21,
22,
21,
23,
20,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
9,
4,
19,
14,
29,
24,
29,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
11,
21,
20,
22,
21,
23,
21,
24,
20,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
4,
9,
14,
19,
24,
29,
7,
29
]
] |
[
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
6,
7,
8,
59,
9,
9,
10,
11,
12,
12,
13,
14,
14,
65,
65,
15,
15,
16,
18,
58,
58,
17,
17,
19,
19,
20,
20,
21,
22,
38,
38,
23,
23,
24,
25,
26,
26,
27,
28,
61,
29,
29,
30,
31,
32,
33,
34,
35,
36,
60,
60,
37,
39,
39,
40,
40,
46,
46,
41,
41,
43,
43,
45,
45,
47,
47,
48,
63,
63,
49,
49,
50,
51,
52,
53,
54,
55,
56,
56,
64,
64,
62,
62,
57
],
[
2,
4,
1,
6,
3,
8,
59,
5,
10,
17,
7,
59,
12,
9,
14,
65,
11,
16,
18,
62,
57,
13,
65,
58,
20,
7,
8,
15,
18,
15,
16,
22,
38,
19,
24,
40,
46,
21,
38,
26,
23,
28,
61,
25,
30,
37,
27,
61,
32,
29,
34,
31,
36,
33,
60,
27,
28,
35,
21,
22,
42,
44,
48,
63,
39,
46,
41,
44,
41,
42,
39,
40,
50,
64,
57,
47,
63,
52,
49,
54,
51,
56,
53,
64,
62,
13,
14,
47,
48,
55
]
] |
[
[
2.1685237884521484
],
[
1.9291863441467285
],
[
2.1685237884521484
],
[
1.730426549911499
],
[
1.9291863441467285
],
[
2.050960063934326
],
[
2.0658462047576904
],
[
1.730426549911499
],
[
2.0929181575775146
],
[
1.9904097318649292
],
[
2.050960063934326
],
[
2.1659321784973145
],
[
2.068624973297119
],
[
2.0929181575775146
],
[
2.064368724822998
],
[
2.09110689163208
],
[
2.068624973297119
],
[
2.1839516162872314
],
[
2.064100980758667
],
[
2.117650032043457
],
[
2.090712547302246
],
[
2.064368724822998
],
[
2.127683162689209
],
[
1.9904097318649292
],
[
1.913973093032837
],
[
2.0658462047576904
],
[
2.1659321784973145
],
[
2.1839516162872314
],
[
2.0306098461151123
],
[
2.064100980758667
],
[
2.0306098461151123
],
[
1.8192660808563232
],
[
2.0119457244873047
],
[
1.913973093032837
],
[
2.1741907596588135
],
[
2.1262733936309814
],
[
2.090419054031372
],
[
1.8192660808563232
],
[
1.8780499696731567
],
[
2.1618497371673584
],
[
2.1741907596588135
],
[
2.1328964233398438
],
[
2.0756313800811768
],
[
2.1618497371673584
],
[
2.1039905548095703
],
[
2.105011463165283
],
[
2.1328964233398438
],
[
2.073594331741333
],
[
2.096003532409668
],
[
2.1039905548095703
],
[
2.092191696166992
],
[
2.096003532409668
],
[
2.0953145027160645
],
[
2.092191696166992
],
[
2.105011463165283
],
[
2.0756313800811768
],
[
2.073594331741333
],
[
2.0953145027160645
],
[
2.0119457244873047
],
[
1.8780499696731567
],
[
2.0616486072540283
],
[
2.164177894592285
],
[
2.0802953243255615
],
[
2.125807762145996
],
[
2.1262733936309814
],
[
2.0660266876220703
],
[
2.0616486072540283
],
[
2.0569751262664795
],
[
2.164177894592285
],
[
2.0569751262664795
],
[
2.090419054031372
],
[
2.0660266876220703
],
[
2.115908622741699
],
[
2.117650032043457
],
[
2.074474334716797
],
[
2.0802953243255615
],
[
2.0754756927490234
],
[
2.093641519546509
],
[
2.115908622741699
],
[
2.089961051940918
],
[
2.093641519546509
],
[
2.1167383193969727
],
[
2.089961051940918
],
[
2.090712547302246
],
[
2.074474334716797
],
[
2.09110689163208
],
[
2.127683162689209
],
[
2.125807762145996
],
[
2.0754756927490234
],
[
2.1167383193969727
]
] |
[
[
0,
1,
1,
2,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
11,
20,
21,
22,
21,
23,
20,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
9,
4,
19,
14,
29,
24,
29,
7
],
[
1,
0,
2,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
11,
22,
21,
23,
21,
24,
20,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
4,
9,
14,
19,
24,
29,
7,
29
]
] |
[
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
2,
4,
4,
4,
2,
2,
2,
2,
2,
2
] |
[
[
0,
3,
4,
51,
5,
6,
7,
8,
8,
9,
10,
10,
57,
57,
11,
11,
12,
14,
50,
13,
13,
15,
15,
16,
16,
17,
32,
19,
19,
20,
20,
22,
53,
23,
23,
24,
25,
26,
27,
28,
29,
30,
52,
52,
31,
33,
33,
38,
38,
35,
37,
39,
40,
55,
55,
41,
41,
42,
43,
44,
45,
46,
47,
48,
48,
56,
56,
54,
54,
49
],
[
2,
1,
6,
13,
51,
8,
5,
10,
57,
7,
12,
14,
54,
49,
9,
57,
50,
16,
4,
11,
14,
11,
12,
18,
32,
15,
38,
17,
32,
22,
53,
24,
31,
21,
53,
26,
23,
28,
25,
30,
27,
52,
21,
22,
29,
17,
18,
40,
55,
36,
34,
33,
42,
56,
49,
39,
55,
44,
41,
46,
43,
48,
45,
56,
54,
9,
10,
39,
40,
47
]
] |
[
[
2.1685237884521484
],
[
2.1685237884521484
],
[
2.0929181575775146
],
[
1.9904097318649292
],
[
2.1659321784973145
],
[
2.068624973297119
],
[
2.0929181575775146
],
[
2.064368724822998
],
[
2.09110689163208
],
[
2.068624973297119
],
[
2.1839516162872314
],
[
2.064100980758667
],
[
2.117650032043457
],
[
2.090712547302246
],
[
2.064368724822998
],
[
2.127683162689209
],
[
1.9904097318649292
],
[
1.913973093032837
],
[
2.1659321784973145
],
[
2.1839516162872314
],
[
2.0306098461151123
],
[
2.064100980758667
],
[
2.0306098461151123
],
[
1.8192660808563232
],
[
2.0119457244873047
],
[
1.913973093032837
],
[
2.090419054031372
],
[
1.8192660808563232
],
[
1.8780499696731567
],
[
2.1328964233398438
],
[
2.0756313800811768
],
[
2.1039905548095703
],
[
2.105011463165283
],
[
2.1328964233398438
],
[
2.073594331741333
],
[
2.096003532409668
],
[
2.1039905548095703
],
[
2.092191696166992
],
[
2.096003532409668
],
[
2.0953145027160645
],
[
2.092191696166992
],
[
2.105011463165283
],
[
2.0756313800811768
],
[
2.073594331741333
],
[
2.0953145027160645
],
[
2.0119457244873047
],
[
1.8780499696731567
],
[
2.0802953243255615
],
[
2.125807762145996
],
[
2.0569751262664795
],
[
2.0569751262664795
],
[
2.090419054031372
],
[
2.115908622741699
],
[
2.117650032043457
],
[
2.074474334716797
],
[
2.0802953243255615
],
[
2.0754756927490234
],
[
2.093641519546509
],
[
2.115908622741699
],
[
2.089961051940918
],
[
2.093641519546509
],
[
2.1167383193969727
],
[
2.089961051940918
],
[
2.090712547302246
],
[
2.074474334716797
],
[
2.09110689163208
],
[
2.127683162689209
],
[
2.125807762145996
],
[
2.0754756927490234
],
[
2.1167383193969727
]
] |
C=CCSc1nnc2c(n1)OC(C=Cc1ccccc1)N(C(C)=O)c1ccccc1-2
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
11,
13,
13,
14,
13,
6
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
11,
14,
13,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
6,
5,
5,
7,
7,
8,
9,
10,
10,
11,
12,
29,
29,
13,
13,
14,
14,
15,
18,
17,
17,
19,
19,
20,
20,
21,
24,
24,
23,
23,
28,
28,
25,
25,
27,
27
],
[
2,
4,
6,
1,
8,
3,
6,
3,
4,
10,
7,
12,
29,
9,
14,
25,
26,
11,
29,
16,
18,
13,
20,
15,
18,
15,
16,
22,
24,
19,
28,
26,
21,
24,
11,
12,
21,
22,
28,
25
]
] |
[
[
1.988492488861084
],
[
2.1700081825256348
],
[
1.9029992818832397
],
[
1.988492488861084
],
[
1.966994047164917
],
[
2.1700081825256348
],
[
2.2095954418182373
],
[
1.9029992818832397
],
[
2.2095954418182373
],
[
1.7409589290618896
],
[
1.966994047164917
],
[
1.995322823524475
],
[
2.141083240509033
],
[
1.7409589290618896
],
[
2.0421712398529053
],
[
2.012777328491211
],
[
2.1506855487823486
],
[
1.995322823524475
],
[
2.146465301513672
],
[
2.054558753967285
],
[
2.1771702766418457
],
[
2.0421712398529053
],
[
2.0536415576934814
],
[
2.054558753967285
],
[
2.050808906555176
],
[
2.1771702766418457
],
[
2.050808906555176
],
[
2.008873701095581
],
[
2.133612632751465
],
[
2.0536415576934814
],
[
2.012777328491211
],
[
2.1196980476379395
],
[
2.008873701095581
],
[
2.140674114227295
],
[
2.141083240509033
],
[
2.146465301513672
],
[
2.133612632751465
],
[
2.140674114227295
],
[
2.1506855487823486
],
[
2.1196980476379395
]
] |
[
[
0,
1,
2,
3,
2,
4,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
11,
13,
13,
14,
13,
6
],
[
1,
0,
3,
2,
4,
2,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
11,
14,
13,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3
] |
[
[
3,
5,
6,
23,
23,
7,
8,
8,
9,
12,
11,
11,
13,
13,
14,
14,
15,
18,
18,
17,
17,
22,
19,
19,
21,
21
],
[
4,
2,
8,
19,
20,
23,
10,
12,
7,
14,
9,
12,
9,
10,
16,
18,
13,
22,
20,
15,
18,
6,
15,
16,
22,
19
]
] |
[
[
2.2095954418182373
],
[
2.2095954418182373
],
[
2.0421712398529053
],
[
2.012777328491211
],
[
2.1506855487823486
],
[
2.146465301513672
],
[
2.054558753967285
],
[
2.1771702766418457
],
[
2.0421712398529053
],
[
2.0536415576934814
],
[
2.054558753967285
],
[
2.050808906555176
],
[
2.1771702766418457
],
[
2.050808906555176
],
[
2.008873701095581
],
[
2.133612632751465
],
[
2.0536415576934814
],
[
2.012777328491211
],
[
2.1196980476379395
],
[
2.008873701095581
],
[
2.140674114227295
],
[
2.146465301513672
],
[
2.133612632751465
],
[
2.140674114227295
],
[
2.1506855487823486
],
[
2.1196980476379395
]
] |
COC(=O)CSc1nc(N)nc(C)c1Br
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
1,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
14,
4,
20,
16,
28,
23,
11,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
1,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
4,
14,
16,
20,
23,
28,
6,
11
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
40,
3,
3,
4,
5,
6,
6,
7,
8,
57,
57,
9,
9,
10,
10,
11,
12,
63,
63,
13,
13,
14,
15,
16,
17,
18,
19,
20,
20,
62,
62,
21,
22,
22,
23,
23,
26,
26,
25,
25,
56,
56,
27,
27,
28,
29,
29,
30,
30,
31,
32,
59,
33,
33,
34,
35,
36,
37,
38,
58,
58,
39,
41,
41,
42,
43,
44,
44,
45,
46,
61,
47,
47,
48,
49,
50,
51,
52,
53,
54,
60,
60,
55
],
[
2,
40,
4,
42,
1,
40,
6,
3,
8,
57,
5,
10,
27,
28,
7,
57,
12,
63,
9,
14,
21,
22,
11,
63,
16,
13,
18,
15,
20,
17,
62,
22,
11,
12,
19,
24,
26,
62,
21,
56,
28,
23,
26,
7,
8,
23,
24,
30,
56,
27,
32,
59,
29,
34,
39,
31,
59,
36,
33,
38,
35,
58,
31,
32,
37,
1,
2,
44,
41,
46,
61,
43,
48,
55,
45,
61,
50,
47,
52,
49,
54,
51,
60,
45,
46,
53
]
] |
[
[
2.135807991027832
],
[
2.1523189544677734
],
[
1.9346649646759033
],
[
2.1171538829803467
],
[
2.135807991027832
],
[
1.9949729442596436
],
[
1.7675023078918457
],
[
1.9346649646759033
],
[
2.0397660732269287
],
[
2.075309991836548
],
[
1.7675023078918457
],
[
2.07084321975708
],
[
2.100057601928711
],
[
2.1655611991882324
],
[
2.0397660732269287
],
[
2.167426347732544
],
[
2.075002908706665
],
[
2.1348400115966797
],
[
2.07084321975708
],
[
2.1049857139587402
],
[
2.1145009994506836
],
[
2.052229642868042
],
[
2.075002908706665
],
[
2.0733160972595215
],
[
2.0954980850219727
],
[
2.1049857139587402
],
[
2.090909481048584
],
[
2.0954980850219727
],
[
2.087106704711914
],
[
2.090909481048584
],
[
2.1145009994506836
],
[
2.1163785457611084
],
[
2.1348400115966797
],
[
2.0733160972595215
],
[
2.087106704711914
],
[
2.0814828872680664
],
[
2.0403904914855957
],
[
2.052229642868042
],
[
2.1163785457611084
],
[
2.100057601928711
],
[
2.0117814540863037
],
[
2.0814828872680664
],
[
2.1612696647644043
],
[
2.075309991836548
],
[
2.167426347732544
],
[
2.0403904914855957
],
[
2.1612696647644043
],
[
1.9509451389312744
],
[
2.1655611991882324
],
[
2.0117814540863037
],
[
1.9611458778381348
],
[
1.9151208400726318
],
[
1.9509451389312744
],
[
1.7941951751708984
],
[
1.9038898944854736
],
[
1.9611458778381348
],
[
1.855269193649292
],
[
1.7800003290176392
],
[
1.7941951751708984
],
[
1.8588528633117676
],
[
1.7800003290176392
],
[
1.9038898944854736
],
[
1.9151208400726318
],
[
1.855269193649292
],
[
1.8588528633117676
],
[
2.1523189544677734
],
[
1.9949729442596436
],
[
1.9271361827850342
],
[
2.1171538829803467
],
[
2.107451915740967
],
[
2.0973830223083496
],
[
1.9271361827850342
],
[
2.1011526584625244
],
[
2.1036489009857178
],
[
2.107451915740967
],
[
2.077099323272705
],
[
2.0958166122436523
],
[
2.1011526584625244
],
[
2.0945215225219727
],
[
2.0958166122436523
],
[
2.0939879417419434
],
[
2.0945215225219727
],
[
2.1036489009857178
],
[
2.0973830223083496
],
[
2.077099323272705
],
[
2.0939879417419434
]
] |
[
[
0,
1,
1,
2,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
16,
17,
17,
18,
18,
19,
19,
20,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
14,
4,
20,
16,
28,
23,
11,
6
],
[
1,
0,
2,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
17,
16,
18,
17,
19,
18,
20,
19,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
4,
14,
16,
20,
23,
28,
6,
11
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
4,
4,
4,
4,
4,
5,
6,
7,
7,
7,
7,
7,
7
] |
[
[
0,
3,
4,
43,
5,
6,
6,
7,
8,
49,
49,
9,
9,
10,
11,
12,
13,
14,
15,
16,
16,
48,
48,
17,
18,
18,
19,
19,
22,
21,
21,
42,
23,
23,
24,
45,
25,
26,
27,
28,
29,
30,
44,
31,
32,
47,
33,
34,
35,
36,
37,
38,
39,
40,
46,
41
],
[
2,
1,
6,
23,
43,
8,
49,
5,
10,
17,
18,
7,
49,
12,
9,
14,
11,
16,
13,
48,
18,
7,
8,
15,
20,
22,
48,
17,
42,
19,
22,
4,
19,
20,
26,
31,
45,
28,
25,
30,
27,
44,
24,
29,
34,
41,
47,
36,
33,
38,
35,
40,
37,
46,
32,
39
]
] |
[
[
2.135807991027832
],
[
2.135807991027832
],
[
2.07084321975708
],
[
2.100057601928711
],
[
2.167426347732544
],
[
2.075002908706665
],
[
2.1348400115966797
],
[
2.07084321975708
],
[
2.1049857139587402
],
[
2.1145009994506836
],
[
2.052229642868042
],
[
2.075002908706665
],
[
2.0733160972595215
],
[
2.0954980850219727
],
[
2.1049857139587402
],
[
2.090909481048584
],
[
2.0954980850219727
],
[
2.087106704711914
],
[
2.090909481048584
],
[
2.1145009994506836
],
[
2.1163785457611084
],
[
2.1348400115966797
],
[
2.0733160972595215
],
[
2.087106704711914
],
[
2.0814828872680664
],
[
2.0403904914855957
],
[
2.052229642868042
],
[
2.1163785457611084
],
[
2.100057601928711
],
[
2.0814828872680664
],
[
2.1612696647644043
],
[
2.167426347732544
],
[
2.0403904914855957
],
[
2.1612696647644043
],
[
1.7941951751708984
],
[
1.9038898944854736
],
[
1.855269193649292
],
[
1.7800003290176392
],
[
1.7941951751708984
],
[
1.8588528633117676
],
[
1.7800003290176392
],
[
1.9038898944854736
],
[
1.855269193649292
],
[
1.8588528633117676
],
[
2.1011526584625244
],
[
2.1036489009857178
],
[
2.077099323272705
],
[
2.0958166122436523
],
[
2.1011526584625244
],
[
2.0945215225219727
],
[
2.0958166122436523
],
[
2.0939879417419434
],
[
2.0945215225219727
],
[
2.1036489009857178
],
[
2.077099323272705
],
[
2.0939879417419434
]
] |
O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCc1ccccc1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
7,
15,
15,
16,
16,
17,
17,
18,
18,
1,
17,
5,
14,
8
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
7,
16,
15,
17,
16,
18,
17,
1,
18,
5,
17,
8,
14
]
] |
[
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
]
] |
[
[
0,
0,
0,
4,
37,
3,
3,
3,
5,
5,
5,
6,
7,
8,
8,
9,
10,
39,
39,
11,
11,
12,
12,
13,
14,
14,
28,
15,
15,
16,
41,
17,
17,
18,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
40,
40,
27,
29,
29,
30,
31,
32,
32,
38,
38,
33,
34,
36,
36,
36,
35,
35
],
[
2,
4,
37,
6,
35,
1,
4,
37,
1,
2,
37,
8,
5,
10,
39,
7,
12,
33,
34,
9,
39,
14,
28,
11,
16,
41,
30,
13,
28,
18,
27,
15,
41,
20,
17,
22,
24,
19,
26,
21,
24,
21,
22,
40,
15,
16,
25,
13,
14,
32,
29,
38,
34,
9,
10,
31,
36,
1,
2,
4,
38,
33
]
] |
[
[
2.099608898162842
],
[
1.8820041418075562
],
[
1.8798819780349731
],
[
2.1033360958099365
],
[
2.091531753540039
],
[
2.099608898162842
],
[
1.8955434560775757
],
[
1.8920446634292603
],
[
1.8820041418075562
],
[
1.8955434560775757
],
[
1.790070652961731
],
[
2.130300760269165
],
[
2.1033360958099365
],
[
2.1004960536956787
],
[
2.1046366691589355
],
[
2.130300760269165
],
[
2.1166701316833496
],
[
2.1079580783843994
],
[
2.130401372909546
],
[
2.1004960536956787
],
[
2.0770726203918457
],
[
2.1093568801879883
],
[
2.0634913444519043
],
[
2.1166701316833496
],
[
2.1103596687316895
],
[
2.1098341941833496
],
[
2.111109733581543
],
[
2.1093568801879883
],
[
2.1102991104125977
],
[
2.1103992462158203
],
[
2.1103901863098145
],
[
2.1103596687316895
],
[
2.062967300415039
],
[
2.0863804817199707
],
[
2.1103992462158203
],
[
2.0866763591766357
],
[
2.109818935394287
],
[
2.0863804817199707
],
[
2.0863640308380127
],
[
2.0866763591766357
],
[
2.086664915084839
],
[
2.109818935394287
],
[
2.086664915084839
],
[
2.1103901863098145
],
[
2.1098341941833496
],
[
2.062967300415039
],
[
2.0863640308380127
],
[
2.0634913444519043
],
[
2.1102991104125977
],
[
2.0898654460906982
],
[
2.111109733581543
],
[
2.1079580783843994
],
[
2.0441579818725586
],
[
2.1046366691589355
],
[
2.0770726203918457
],
[
2.0898654460906982
],
[
2.091531753540039
],
[
1.8798819780349731
],
[
1.8920446634292603
],
[
1.790070652961731
],
[
2.130401372909546
],
[
2.0441579818725586
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
7,
15,
15,
16,
16,
17,
17,
18,
18,
1,
17,
5,
14,
8
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
7,
16,
15,
17,
16,
18,
17,
1,
18,
5,
17,
8,
14
]
] |
[
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
0,
0,
0,
0
] |
[
[
0,
0,
0,
4,
35,
3,
3,
3,
5,
5,
5,
6,
7,
8,
8,
9,
10,
37,
37,
11,
11,
12,
13,
26,
14,
39,
15,
16,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
38,
25,
27,
28,
29,
30,
30,
36,
36,
31,
32,
34,
34,
34,
33,
33
],
[
2,
4,
35,
6,
33,
1,
4,
35,
1,
2,
35,
8,
5,
10,
37,
7,
12,
31,
32,
9,
37,
26,
11,
28,
16,
25,
39,
18,
15,
20,
22,
17,
24,
19,
22,
19,
20,
38,
14,
23,
13,
30,
27,
36,
32,
9,
10,
29,
34,
1,
2,
4,
36,
31
]
] |
[
[
2.099608898162842
],
[
1.8820041418075562
],
[
1.8798819780349731
],
[
2.1033360958099365
],
[
2.091531753540039
],
[
2.099608898162842
],
[
1.8955434560775757
],
[
1.8920446634292603
],
[
1.8820041418075562
],
[
1.8955434560775757
],
[
1.790070652961731
],
[
2.130300760269165
],
[
2.1033360958099365
],
[
2.1004960536956787
],
[
2.1046366691589355
],
[
2.130300760269165
],
[
2.1166701316833496
],
[
2.1079580783843994
],
[
2.130401372909546
],
[
2.1004960536956787
],
[
2.0770726203918457
],
[
2.0634913444519043
],
[
2.1166701316833496
],
[
2.111109733581543
],
[
2.1103992462158203
],
[
2.1103901863098145
],
[
2.062967300415039
],
[
2.0863804817199707
],
[
2.1103992462158203
],
[
2.0866763591766357
],
[
2.109818935394287
],
[
2.0863804817199707
],
[
2.0863640308380127
],
[
2.0866763591766357
],
[
2.086664915084839
],
[
2.109818935394287
],
[
2.086664915084839
],
[
2.1103901863098145
],
[
2.062967300415039
],
[
2.0863640308380127
],
[
2.0634913444519043
],
[
2.0898654460906982
],
[
2.111109733581543
],
[
2.1079580783843994
],
[
2.0441579818725586
],
[
2.1046366691589355
],
[
2.0770726203918457
],
[
2.0898654460906982
],
[
2.091531753540039
],
[
1.8798819780349731
],
[
1.8920446634292603
],
[
1.790070652961731
],
[
2.130401372909546
],
[
2.0441579818725586
]
] |
O=S1(=O)C=Cc2cc(-c3ccc(F)cc3)ccc2O1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
22,
1,
25,
1,
21,
11,
18,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
1,
22,
1,
25,
11,
21,
12,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
0,
0,
2,
53,
53,
55,
55,
3,
3,
3,
4,
4,
5,
6,
20,
20,
7,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
19,
21,
21,
22,
22,
57,
57,
23,
23,
24,
59,
59,
25,
25,
26,
27,
28,
28,
29,
32,
31,
31,
33,
33,
34,
34,
58,
58,
35,
36,
37,
37,
38,
39,
40,
40,
56,
56,
41,
42,
42,
52,
52,
52,
43,
43,
44,
45,
45,
46,
47,
48,
48,
54,
54,
54,
49,
51,
51
],
[
2,
53,
55,
4,
43,
44,
49,
50,
1,
53,
55,
6,
20,
3,
8,
22,
57,
5,
20,
10,
7,
12,
9,
14,
11,
16,
13,
18,
15,
17,
5,
6,
24,
59,
41,
42,
21,
57,
26,
35,
36,
23,
59,
28,
25,
30,
32,
27,
34,
29,
32,
29,
30,
58,
36,
23,
24,
33,
38,
58,
35,
40,
37,
56,
42,
21,
22,
39,
52,
44,
1,
2,
55,
56,
41,
46,
52,
43,
48,
45,
54,
50,
1,
2,
53,
47,
54,
49
]
] |
[
[
1.87089204788208
],
[
1.9048247337341309
],
[
1.9427528381347656
],
[
2.028639316558838
],
[
2.0184810161590576
],
[
1.8391917943954468
],
[
1.8127326965332031
],
[
1.991145372390747
],
[
1.87089204788208
],
[
1.9825342893600464
],
[
1.9498915672302246
],
[
1.919890284538269
],
[
1.9746400117874146
],
[
2.028639316558838
],
[
1.992568850517273
],
[
1.9993484020233154
],
[
1.9993422031402588
],
[
1.919890284538269
],
[
2.01019024848938
],
[
1.9405715465545654
],
[
1.992568850517273
],
[
1.941831111907959
],
[
1.9405715465545654
],
[
1.977319598197937
],
[
1.941831111907959
],
[
1.9095721244812012
],
[
1.977319598197937
],
[
1.9073234796524048
],
[
1.9095721244812012
],
[
1.9073234796524048
],
[
1.9746400117874146
],
[
2.01019024848938
],
[
2.084355115890503
],
[
2.1136868000030518
],
[
1.9138609170913696
],
[
1.9674620628356934
],
[
1.9993484020233154
],
[
1.9171340465545654
],
[
2.1051323413848877
],
[
2.0827786922454834
],
[
2.1296226978302
],
[
2.084355115890503
],
[
2.0849790573120117
],
[
2.0870797634124756
],
[
2.1051323413848877
],
[
2.0550191402435303
],
[
2.109339714050293
],
[
2.0870797634124756
],
[
2.0969314575195312
],
[
2.0550191402435303
],
[
2.1187849044799805
],
[
2.109339714050293
],
[
2.1187849044799805
],
[
2.0827786922454834
],
[
2.069369316101074
],
[
2.1136868000030518
],
[
2.0849790573120117
],
[
2.0969314575195312
],
[
2.006519079208374
],
[
2.1296226978302
],
[
2.069369316101074
],
[
1.9293948411941528
],
[
2.006519079208374
],
[
1.9138609170913696
],
[
1.9819813966751099
],
[
1.9993422031402588
],
[
1.9171340465545654
],
[
1.9293948411941528
],
[
2.0184810161590576
],
[
1.9342212677001953
],
[
1.9048247337341309
],
[
1.9825342893600464
],
[
1.8137725591659546
],
[
1.9674620628356934
],
[
1.9819813966751099
],
[
1.8594448566436768
],
[
1.8391917943954468
],
[
1.9342212677001953
],
[
1.7907097339630127
],
[
1.8594448566436768
],
[
1.8127326965332031
],
[
1.957455039024353
],
[
1.9427528381347656
],
[
1.9498915672302246
],
[
1.8137725591659546
],
[
1.7907097339630127
],
[
1.991145372390747
],
[
1.957455039024353
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
8,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
22,
1,
25,
1,
21,
11,
18,
12
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
9,
8,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
1,
22,
1,
25,
11,
21,
12,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
2,
3,
3,
3,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0,
2,
47,
47,
49,
49,
3,
3,
3,
4,
5,
14,
14,
6,
9,
10,
13,
15,
16,
16,
51,
51,
17,
17,
18,
53,
53,
19,
19,
20,
21,
22,
22,
23,
26,
25,
25,
27,
27,
28,
28,
52,
52,
29,
30,
31,
31,
32,
33,
34,
34,
50,
50,
35,
36,
36,
46,
46,
46,
37,
37,
38,
39,
39,
40,
41,
42,
42,
48,
48,
48,
43,
45,
45
],
[
2,
47,
49,
4,
37,
38,
43,
44,
1,
47,
49,
14,
3,
16,
51,
8,
7,
12,
11,
5,
18,
53,
35,
36,
15,
51,
20,
29,
30,
17,
53,
22,
19,
24,
26,
21,
28,
23,
26,
23,
24,
52,
30,
17,
18,
27,
32,
52,
29,
34,
31,
50,
36,
15,
16,
33,
46,
38,
1,
2,
49,
50,
35,
40,
46,
37,
42,
39,
48,
44,
1,
2,
47,
41,
48,
43
]
] |
[
[
1.87089204788208
],
[
1.9048247337341309
],
[
1.9427528381347656
],
[
2.028639316558838
],
[
2.0184810161590576
],
[
1.8391917943954468
],
[
1.8127326965332031
],
[
1.991145372390747
],
[
1.87089204788208
],
[
1.9825342893600464
],
[
1.9498915672302246
],
[
1.9746400117874146
],
[
2.028639316558838
],
[
1.9993484020233154
],
[
1.9993422031402588
],
[
1.9405715465545654
],
[
1.9405715465545654
],
[
1.9073234796524048
],
[
1.9073234796524048
],
[
1.9746400117874146
],
[
2.084355115890503
],
[
2.1136868000030518
],
[
1.9138609170913696
],
[
1.9674620628356934
],
[
1.9993484020233154
],
[
1.9171340465545654
],
[
2.1051323413848877
],
[
2.0827786922454834
],
[
2.1296226978302
],
[
2.084355115890503
],
[
2.0849790573120117
],
[
2.0870797634124756
],
[
2.1051323413848877
],
[
2.0550191402435303
],
[
2.109339714050293
],
[
2.0870797634124756
],
[
2.0969314575195312
],
[
2.0550191402435303
],
[
2.1187849044799805
],
[
2.109339714050293
],
[
2.1187849044799805
],
[
2.0827786922454834
],
[
2.069369316101074
],
[
2.1136868000030518
],
[
2.0849790573120117
],
[
2.0969314575195312
],
[
2.006519079208374
],
[
2.1296226978302
],
[
2.069369316101074
],
[
1.9293948411941528
],
[
2.006519079208374
],
[
1.9138609170913696
],
[
1.9819813966751099
],
[
1.9993422031402588
],
[
1.9171340465545654
],
[
1.9293948411941528
],
[
2.0184810161590576
],
[
1.9342212677001953
],
[
1.9048247337341309
],
[
1.9825342893600464
],
[
1.8137725591659546
],
[
1.9674620628356934
],
[
1.9819813966751099
],
[
1.8594448566436768
],
[
1.8391917943954468
],
[
1.9342212677001953
],
[
1.7907097339630127
],
[
1.8594448566436768
],
[
1.8127326965332031
],
[
1.957455039024353
],
[
1.9427528381347656
],
[
1.9498915672302246
],
[
1.8137725591659546
],
[
1.7907097339630127
],
[
1.991145372390747
],
[
1.957455039024353
]
] |
CC12CC(CCCOCCF)C3c4ccc(O)cc4CCC3C1CCC2O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
1,
9,
9,
10,
9,
11,
9,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
21,
23,
20,
24,
24,
25,
25,
26,
26,
27,
15,
28,
28,
29,
8,
3,
29,
12,
27,
16,
26,
18
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
1,
10,
9,
11,
9,
12,
9,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
21,
24,
20,
25,
24,
26,
25,
27,
26,
28,
15,
29,
28,
3,
8,
12,
29,
16,
27,
18,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
16,
16,
16,
3,
3,
4,
4,
5,
6,
59,
7,
7,
8,
9,
10,
11,
12,
13,
14,
58,
58,
15,
17,
17,
22,
22,
19,
19,
19,
21,
21,
21,
23,
23,
23,
24,
61,
25,
25,
26,
27,
28,
28,
29,
30,
30,
54,
31,
31,
32,
63,
33,
33,
34,
34,
35,
36,
65,
65,
37,
37,
38,
38,
39,
40,
40,
46,
41,
41,
43,
43,
45,
45,
47,
47,
48,
49,
50,
50,
64,
64,
51,
52,
62,
62,
53,
53,
55,
55,
56,
60,
60,
57
],
[
2,
16,
4,
18,
20,
22,
1,
16,
6,
59,
3,
8,
15,
5,
59,
10,
7,
12,
9,
14,
11,
58,
5,
6,
13,
1,
2,
24,
61,
17,
20,
22,
17,
18,
22,
17,
18,
20,
26,
57,
23,
61,
28,
25,
30,
54,
27,
32,
63,
56,
29,
54,
34,
53,
31,
63,
36,
65,
33,
38,
51,
52,
35,
65,
40,
46,
37,
42,
44,
48,
39,
46,
41,
44,
41,
42,
39,
40,
50,
47,
64,
52,
35,
36,
49,
62,
31,
32,
64,
51,
29,
30,
60,
23,
24,
55
]
] |
[
[
1.9832656383514404
],
[
2.0354719161987305
],
[
1.974886417388916
],
[
1.8926739692687988
],
[
1.8939783573150635
],
[
1.7997065782546997
],
[
1.9832656383514404
],
[
2.0240318775177
],
[
2.097160577774048
],
[
2.1094701290130615
],
[
1.974886417388916
],
[
2.103761672973633
],
[
2.101064682006836
],
[
2.097160577774048
],
[
2.0763778686523438
],
[
2.0944228172302246
],
[
2.103761672973633
],
[
2.0943186283111572
],
[
2.0944228172302246
],
[
2.096336841583252
],
[
2.0943186283111572
],
[
2.101064682006836
],
[
2.1094701290130615
],
[
2.0763778686523438
],
[
2.096336841583252
],
[
2.0354719161987305
],
[
2.0240318775177
],
[
2.089061737060547
],
[
2.0903332233428955
],
[
1.8926739692687988
],
[
2.1092216968536377
],
[
1.8698904514312744
],
[
1.8939783573150635
],
[
2.1092216968536377
],
[
1.8738152980804443
],
[
1.7997065782546997
],
[
1.8698904514312744
],
[
1.8738152980804443
],
[
2.089717388153076
],
[
2.0835821628570557
],
[
2.089061737060547
],
[
2.1027727127075195
],
[
2.1060149669647217
],
[
2.089717388153076
],
[
2.1363911628723145
],
[
2.0697884559631348
],
[
2.1060149669647217
],
[
2.1937296390533447
],
[
2.172417402267456
],
[
2.1139979362487793
],
[
2.1363911628723145
],
[
2.0769786834716797
],
[
1.8560596704483032
],
[
1.9006078243255615
],
[
2.1937296390533447
],
[
1.9168623685836792
],
[
2.2601819038391113
],
[
1.9336904287338257
],
[
1.8560596704483032
],
[
2.0656328201293945
],
[
2.1550281047821045
],
[
1.8174482583999634
],
[
2.2601819038391113
],
[
2.089287519454956
],
[
2.12154483795166
],
[
2.1028618812561035
],
[
2.0656328201293945
],
[
2.0539426803588867
],
[
2.1226699352264404
],
[
2.1231918334960938
],
[
2.12154483795166
],
[
2.0586326122283936
],
[
2.0539426803588867
],
[
2.1060895919799805
],
[
2.1226699352264404
],
[
2.1060895919799805
],
[
2.1028618812561035
],
[
2.0586326122283936
],
[
2.0301923751831055
],
[
2.1231918334960938
],
[
2.1550281047821045
],
[
2.310680866241455
],
[
1.9336904287338257
],
[
2.089287519454956
],
[
2.0301923751831055
],
[
1.9006078243255615
],
[
2.172417402267456
],
[
1.9168623685836792
],
[
1.8174482583999634
],
[
2.310680866241455
],
[
2.0697884559631348
],
[
2.0769786834716797
],
[
2.0835821628570557
],
[
2.0903332233428955
],
[
2.1027727127075195
],
[
2.1139979362487793
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
9,
11,
9,
12,
12,
13,
13,
14,
14,
15,
16,
17,
17,
18,
18,
19,
19,
20,
21,
22,
21,
23,
20,
24,
24,
25,
25,
26,
26,
27,
15,
28,
28,
29,
8,
3,
29,
12,
27,
16,
26,
18
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
9,
12,
9,
13,
12,
14,
13,
15,
14,
17,
16,
18,
17,
19,
18,
20,
19,
22,
21,
23,
21,
24,
20,
25,
24,
26,
25,
27,
26,
28,
15,
29,
28,
3,
8,
12,
29,
16,
27,
18,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
4,
4,
4,
4,
4,
5,
5,
5,
4,
4,
4,
4,
3,
3
] |
[
[
2,
49,
3,
4,
5,
6,
7,
8,
9,
10,
48,
11,
16,
16,
13,
13,
15,
15,
17,
17,
18,
51,
19,
19,
20,
21,
22,
23,
44,
24,
53,
25,
26,
26,
27,
28,
55,
55,
29,
29,
30,
31,
36,
33,
35,
37,
38,
39,
40,
40,
54,
54,
41,
42,
52,
43,
43,
45,
46,
50,
50,
47
],
[
4,
11,
49,
6,
3,
8,
5,
10,
7,
48,
2,
9,
18,
51,
14,
16,
12,
16,
12,
14,
20,
47,
17,
51,
22,
19,
44,
21,
46,
26,
43,
53,
28,
55,
25,
30,
41,
42,
27,
55,
36,
29,
38,
34,
32,
31,
40,
37,
54,
42,
27,
28,
39,
52,
24,
54,
41,
23,
50,
17,
18,
45
]
] |
[
[
2.103761672973633
],
[
2.101064682006836
],
[
2.0763778686523438
],
[
2.0944228172302246
],
[
2.103761672973633
],
[
2.0943186283111572
],
[
2.0944228172302246
],
[
2.096336841583252
],
[
2.0943186283111572
],
[
2.101064682006836
],
[
2.0763778686523438
],
[
2.096336841583252
],
[
2.089061737060547
],
[
2.0903332233428955
],
[
2.1092216968536377
],
[
1.8698904514312744
],
[
2.1092216968536377
],
[
1.8738152980804443
],
[
1.8698904514312744
],
[
1.8738152980804443
],
[
2.089717388153076
],
[
2.0835821628570557
],
[
2.089061737060547
],
[
2.1027727127075195
],
[
2.1060149669647217
],
[
2.089717388153076
],
[
2.0697884559631348
],
[
2.1060149669647217
],
[
2.1139979362487793
],
[
1.8560596704483032
],
[
1.9006078243255615
],
[
1.9168623685836792
],
[
2.2601819038391113
],
[
1.9336904287338257
],
[
1.8560596704483032
],
[
2.0656328201293945
],
[
2.1550281047821045
],
[
1.8174482583999634
],
[
2.2601819038391113
],
[
2.089287519454956
],
[
2.1028618812561035
],
[
2.0656328201293945
],
[
2.1231918334960938
],
[
2.1060895919799805
],
[
2.1060895919799805
],
[
2.1028618812561035
],
[
2.0301923751831055
],
[
2.1231918334960938
],
[
2.1550281047821045
],
[
2.310680866241455
],
[
1.9336904287338257
],
[
2.089287519454956
],
[
2.0301923751831055
],
[
1.9006078243255615
],
[
1.9168623685836792
],
[
1.8174482583999634
],
[
2.310680866241455
],
[
2.0697884559631348
],
[
2.0835821628570557
],
[
2.0903332233428955
],
[
2.1027727127075195
],
[
2.1139979362487793
]
] |
CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
1,
11,
11,
12,
12,
13,
13,
14,
13,
15,
13,
16,
16,
1,
10,
5
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
1,
12,
11,
13,
12,
14,
13,
15,
13,
16,
13,
1,
16,
5,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
0,
2,
20,
33,
3,
3,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
35,
11,
11,
12,
13,
14,
15,
16,
17,
18,
34,
34,
19,
21,
21,
21,
22,
23,
24,
24,
24,
25,
30,
27,
27,
27,
29,
29,
29,
32,
32,
32,
31,
31,
31
],
[
2,
20,
33,
4,
22,
31,
1,
20,
33,
6,
8,
3,
10,
35,
5,
8,
5,
6,
12,
19,
9,
35,
14,
11,
16,
13,
18,
15,
34,
9,
10,
17,
1,
2,
33,
24,
21,
26,
28,
30,
23,
32,
25,
28,
30,
25,
26,
30,
1,
2,
20,
25,
26,
28
]
] |
[
[
1.8618249893188477
],
[
1.9208729267120361
],
[
1.9243719577789307
],
[
2.1835691928863525
],
[
1.8813695907592773
],
[
1.8405765295028687
],
[
1.8618249893188477
],
[
1.951406717300415
],
[
1.9635334014892578
],
[
2.1463942527770996
],
[
1.9843122959136963
],
[
2.1835691928863525
],
[
1.9372410774230957
],
[
1.93064546585083
],
[
2.1463942527770996
],
[
2.1524453163146973
],
[
1.9843122959136963
],
[
2.1524453163146973
],
[
1.9512743949890137
],
[
1.9523016214370728
],
[
1.9372410774230957
],
[
1.931296467781067
],
[
1.945666790008545
],
[
1.9512743949890137
],
[
1.9460928440093994
],
[
1.945666790008545
],
[
1.9519559144973755
],
[
1.9460928440093994
],
[
1.9523016214370728
],
[
1.93064546585083
],
[
1.931296467781067
],
[
1.9519559144973755
],
[
1.9208729267120361
],
[
1.951406717300415
],
[
1.8427737951278687
],
[
1.8444206714630127
],
[
1.8813695907592773
],
[
1.9037476778030396
],
[
1.8884432315826416
],
[
1.6989370584487915
],
[
1.8444206714630127
],
[
1.8405765295028687
],
[
1.9037476778030396
],
[
2.1255481243133545
],
[
1.9080407619476318
],
[
1.8884432315826416
],
[
2.1255481243133545
],
[
1.8910064697265625
],
[
1.9243719577789307
],
[
1.9635334014892578
],
[
1.8427737951278687
],
[
1.6989370584487915
],
[
1.9080407619476318
],
[
1.8910064697265625
]
] |
[
[
0,
1,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
1,
11,
11,
12,
12,
13,
13,
14,
13,
15,
13,
16,
16,
1,
10,
5
],
[
1,
0,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
1,
12,
11,
13,
12,
14,
13,
15,
13,
16,
13,
1,
16,
5,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
3,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
14,
27,
4,
29,
5,
6,
7,
8,
9,
10,
11,
12,
28,
13,
15,
15,
16,
17,
18,
18,
18,
19,
24,
21,
21,
21,
23,
23,
23,
26,
26,
25,
25,
25
],
[
14,
27,
16,
25,
6,
13,
29,
8,
5,
10,
7,
12,
9,
28,
4,
11,
1,
27,
18,
15,
20,
22,
24,
17,
26,
19,
22,
24,
19,
20,
24,
1,
14,
19,
20,
22
]
] |
[
[
1.9208729267120361
],
[
1.9243719577789307
],
[
1.8813695907592773
],
[
1.8405765295028687
],
[
1.9512743949890137
],
[
1.9523016214370728
],
[
1.931296467781067
],
[
1.945666790008545
],
[
1.9512743949890137
],
[
1.9460928440093994
],
[
1.945666790008545
],
[
1.9519559144973755
],
[
1.9460928440093994
],
[
1.9523016214370728
],
[
1.931296467781067
],
[
1.9519559144973755
],
[
1.9208729267120361
],
[
1.8427737951278687
],
[
1.8444206714630127
],
[
1.8813695907592773
],
[
1.9037476778030396
],
[
1.8884432315826416
],
[
1.6989370584487915
],
[
1.8444206714630127
],
[
1.8405765295028687
],
[
1.9037476778030396
],
[
2.1255481243133545
],
[
1.9080407619476318
],
[
1.8884432315826416
],
[
2.1255481243133545
],
[
1.8910064697265625
],
[
1.9243719577789307
],
[
1.8427737951278687
],
[
1.6989370584487915
],
[
1.9080407619476318
],
[
1.8910064697265625
]
] |
CC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
11,
18,
18,
19,
19,
20,
20,
21,
20,
22,
19,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
19,
31,
4,
32,
32,
33,
33,
1,
31,
8,
24,
10,
30,
25,
17,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
11,
19,
18,
20,
19,
21,
20,
22,
20,
23,
19,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
19,
32,
4,
33,
32,
1,
33,
8,
31,
10,
24,
25,
30,
12,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
67,
3,
3,
4,
5,
6,
6,
7,
8,
62,
9,
9,
10,
11,
12,
13,
14,
14,
15,
16,
69,
17,
17,
18,
18,
19,
20,
20,
71,
71,
21,
21,
22,
22,
34,
23,
23,
24,
75,
25,
25,
26,
27,
28,
29,
30,
31,
32,
74,
74,
33,
35,
35,
36,
36,
36,
37,
38,
38,
44,
60,
39,
39,
39,
41,
41,
43,
43,
45,
45,
45,
46,
46,
70,
70,
47,
48,
48,
49,
49,
50,
73,
51,
51,
52,
53,
54,
55,
56,
57,
58,
72,
72,
59,
68,
68,
61,
61,
61,
63,
63,
64,
66,
66,
65
],
[
2,
67,
4,
65,
1,
67,
6,
3,
8,
62,
5,
10,
64,
7,
62,
12,
9,
14,
11,
16,
69,
13,
18,
61,
15,
69,
20,
71,
17,
22,
34,
47,
48,
19,
71,
24,
75,
36,
21,
34,
26,
33,
23,
75,
28,
25,
30,
27,
32,
29,
74,
23,
24,
31,
21,
22,
38,
44,
60,
35,
40,
42,
46,
68,
37,
44,
60,
39,
42,
39,
40,
37,
38,
60,
70,
48,
19,
20,
45,
50,
73,
70,
47,
52,
59,
49,
73,
54,
51,
56,
53,
58,
55,
72,
49,
50,
57,
15,
16,
37,
38,
44,
7,
8,
66,
1,
2,
63
]
] |
[
[
1.9433988332748413
],
[
1.942769169807434
],
[
2.009084463119507
],
[
2.005632162094116
],
[
1.9433988332748413
],
[
1.912955641746521
],
[
2.0075154304504395
],
[
2.009084463119507
],
[
1.973205327987671
],
[
1.8966617584228516
],
[
2.0075154304504395
],
[
1.9931224584579468
],
[
2.004279851913452
],
[
1.973205327987671
],
[
1.9390215873718262
],
[
1.9626954793930054
],
[
1.9931224584579468
],
[
2.020277738571167
],
[
1.9626954793930054
],
[
1.978542447090149
],
[
1.9817694425582886
],
[
2.020277738571167
],
[
2.0136027336120605
],
[
2.0641283988952637
],
[
1.978542447090149
],
[
2.0610511302948
],
[
1.9233776330947876
],
[
1.902937889099121
],
[
2.0136027336120605
],
[
1.940086841583252
],
[
1.972603440284729
],
[
1.9603800773620605
],
[
1.9640220403671265
],
[
1.9233776330947876
],
[
1.9987159967422485
],
[
2.0636863708496094
],
[
2.1655642986297607
],
[
1.9852393865585327
],
[
1.940086841583252
],
[
2.0291035175323486
],
[
2.1177849769592285
],
[
2.112309455871582
],
[
2.0636863708496094
],
[
2.053903102874756
],
[
2.0936989784240723
],
[
2.1177849769592285
],
[
2.088735818862915
],
[
2.0936989784240723
],
[
2.0998740196228027
],
[
2.088735818862915
],
[
2.112309455871582
],
[
2.1655642986297607
],
[
2.053903102874756
],
[
2.0998740196228027
],
[
1.972603440284729
],
[
2.0291035175323486
],
[
1.9332349300384521
],
[
1.8857405185699463
],
[
1.869690179824829
],
[
1.9852393865585327
],
[
1.998136281967163
],
[
2.0216944217681885
],
[
1.9636670351028442
],
[
2.0641283988952637
],
[
1.9332349300384521
],
[
1.9473367929458618
],
[
1.8925405740737915
],
[
1.998136281967163
],
[
1.88770592212677
],
[
2.0216944217681885
],
[
1.88770592212677
],
[
1.8857405185699463
],
[
1.9473367929458618
],
[
1.9339702129364014
],
[
1.9603800773620605
],
[
2.0404269695281982
],
[
1.902937889099121
],
[
1.9987159967422485
],
[
1.9636670351028442
],
[
2.1647183895111084
],
[
2.062164545059204
],
[
1.9640220403671265
],
[
2.0404269695281982
],
[
2.1100192070007324
],
[
2.117358684539795
],
[
2.1647183895111084
],
[
2.0562171936035156
],
[
2.1014504432678223
],
[
2.1100192070007324
],
[
2.08828067779541
],
[
2.1014504432678223
],
[
2.0929694175720215
],
[
2.08828067779541
],
[
2.117358684539795
],
[
2.062164545059204
],
[
2.0562171936035156
],
[
2.0929694175720215
],
[
1.9817694425582886
],
[
2.0610511302948
],
[
1.869690179824829
],
[
1.8925405740737915
],
[
1.9339702129364014
],
[
1.8966617584228516
],
[
1.9390215873718262
],
[
2.005632162094116
],
[
1.942769169807434
],
[
1.912955641746521
],
[
2.004279851913452
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
8,
9,
9,
10,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
11,
18,
18,
19,
20,
21,
20,
22,
19,
23,
23,
24,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
19,
31,
4,
32,
32,
33,
33,
1,
31,
8,
24,
10,
30,
25,
17,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
9,
8,
10,
9,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
11,
19,
18,
21,
20,
22,
20,
23,
19,
24,
23,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
19,
32,
4,
33,
32,
1,
33,
8,
31,
10,
24,
25,
30,
12,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
2,
2,
4,
4,
4,
2,
2,
5,
5,
5,
5,
5,
5,
2,
0,
0
] |
[
[
0,
0,
2,
57,
3,
3,
4,
5,
6,
7,
52,
8,
11,
12,
59,
13,
14,
14,
15,
16,
61,
17,
17,
28,
18,
65,
19,
20,
21,
22,
23,
24,
25,
26,
64,
27,
29,
30,
30,
31,
36,
50,
33,
35,
37,
37,
38,
60,
60,
39,
40,
63,
41,
42,
43,
44,
45,
46,
47,
48,
62,
49,
58,
51,
51,
53,
54,
56,
56,
55
],
[
2,
57,
4,
55,
1,
57,
6,
3,
52,
5,
54,
10,
9,
14,
51,
59,
16,
61,
13,
28,
39,
15,
61,
30,
20,
27,
65,
22,
19,
24,
21,
26,
23,
64,
18,
25,
17,
36,
50,
29,
38,
58,
34,
32,
31,
50,
60,
15,
16,
37,
42,
49,
63,
44,
41,
46,
43,
48,
45,
62,
40,
47,
12,
31,
36,
7,
56,
1,
2,
53
]
] |
[
[
1.9433988332748413
],
[
1.942769169807434
],
[
2.009084463119507
],
[
2.005632162094116
],
[
1.9433988332748413
],
[
1.912955641746521
],
[
2.0075154304504395
],
[
2.009084463119507
],
[
1.8966617584228516
],
[
2.0075154304504395
],
[
2.004279851913452
],
[
1.9626954793930054
],
[
1.9626954793930054
],
[
2.0136027336120605
],
[
2.0641283988952637
],
[
2.0610511302948
],
[
1.9233776330947876
],
[
1.902937889099121
],
[
2.0136027336120605
],
[
1.972603440284729
],
[
1.9603800773620605
],
[
1.9233776330947876
],
[
1.9987159967422485
],
[
1.9852393865585327
],
[
2.1177849769592285
],
[
2.112309455871582
],
[
2.053903102874756
],
[
2.0936989784240723
],
[
2.1177849769592285
],
[
2.088735818862915
],
[
2.0936989784240723
],
[
2.0998740196228027
],
[
2.088735818862915
],
[
2.112309455871582
],
[
2.053903102874756
],
[
2.0998740196228027
],
[
1.972603440284729
],
[
1.8857405185699463
],
[
1.869690179824829
],
[
1.9852393865585327
],
[
1.9636670351028442
],
[
2.0641283988952637
],
[
1.88770592212677
],
[
1.88770592212677
],
[
1.8857405185699463
],
[
1.9339702129364014
],
[
1.9603800773620605
],
[
1.902937889099121
],
[
1.9987159967422485
],
[
1.9636670351028442
],
[
2.1100192070007324
],
[
2.117358684539795
],
[
2.0562171936035156
],
[
2.1014504432678223
],
[
2.1100192070007324
],
[
2.08828067779541
],
[
2.1014504432678223
],
[
2.0929694175720215
],
[
2.08828067779541
],
[
2.117358684539795
],
[
2.0562171936035156
],
[
2.0929694175720215
],
[
2.0610511302948
],
[
1.869690179824829
],
[
1.9339702129364014
],
[
1.8966617584228516
],
[
2.005632162094116
],
[
1.942769169807434
],
[
1.912955641746521
],
[
2.004279851913452
]
] |
CN1CCN(CCCN2CC3C(c4ccccc4)CC(N(C)C)(CC3c3ccccc3)C2)CC1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
18,
26,
26,
27,
26,
28,
28,
29,
7,
30,
30,
3,
14,
8,
25,
20,
15,
10
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
18,
27,
26,
28,
26,
29,
28,
30,
7,
3,
30,
8,
14,
20,
25,
10,
15
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
4,
3,
3,
5,
5,
6,
61,
7,
7,
8,
9,
10,
11,
12,
12,
13,
14,
14,
58,
15,
15,
16,
63,
17,
17,
18,
18,
19,
20,
67,
67,
21,
21,
22,
23,
24,
24,
25,
26,
28,
28,
62,
62,
27,
27,
66,
66,
29,
29,
30,
31,
31,
32,
33,
34,
34,
35,
36,
50,
50,
37,
37,
38,
38,
39,
40,
65,
41,
41,
42,
43,
44,
45,
46,
47,
48,
64,
64,
49,
51,
51,
54,
53,
53,
55,
55,
57,
60,
60,
59,
59
],
[
2,
4,
6,
61,
1,
4,
1,
2,
8,
59,
5,
61,
10,
7,
12,
9,
14,
58,
11,
16,
63,
60,
13,
58,
18,
27,
15,
63,
20,
67,
17,
22,
29,
30,
19,
67,
24,
21,
26,
28,
23,
62,
66,
30,
15,
16,
25,
28,
19,
20,
25,
26,
32,
66,
29,
34,
31,
36,
50,
33,
38,
52,
54,
35,
50,
40,
65,
37,
42,
49,
39,
65,
44,
41,
46,
43,
48,
45,
64,
39,
40,
47,
35,
36,
56,
51,
54,
51,
52,
55,
5,
6,
13,
14
]
] |
[
[
2.0988478660583496
],
[
2.0561532974243164
],
[
2.1349358558654785
],
[
2.061699151992798
],
[
2.0988478660583496
],
[
2.1276845932006836
],
[
2.0561532974243164
],
[
2.1276845932006836
],
[
2.093909740447998
],
[
2.1126389503479004
],
[
2.1349358558654785
],
[
2.0863826274871826
],
[
2.0967066287994385
],
[
2.093909740447998
],
[
2.111023187637329
],
[
2.0967066287994385
],
[
2.083268642425537
],
[
2.065206289291382
],
[
2.111023187637329
],
[
2.0060086250305176
],
[
1.9393529891967773
],
[
2.1126389503479004
],
[
2.083268642425537
],
[
2.133810520172119
],
[
1.9619698524475098
],
[
1.9643728733062744
],
[
2.0060086250305176
],
[
1.9504048824310303
],
[
1.9547119140625
],
[
1.9625153541564941
],
[
1.9619698524475098
],
[
1.8232038021087646
],
[
1.79843270778656
],
[
2.002762794494629
],
[
1.9547119140625
],
[
1.7417047023773193
],
[
1.824495792388916
],
[
1.8232038021087646
],
[
1.9426958560943604
],
[
1.7359308004379272
],
[
1.824495792388916
],
[
1.9643728733062744
],
[
1.79843270778656
],
[
2.041748285293579
],
[
1.9393529891967773
],
[
1.9504048824310303
],
[
1.9426958560943604
],
[
1.980399489402771
],
[
1.9625153541564941
],
[
1.7417047023773193
],
[
1.7359308004379272
],
[
1.980399489402771
],
[
1.9864082336425781
],
[
2.002762794494629
],
[
2.041748285293579
],
[
2.011490821838379
],
[
1.9864082336425781
],
[
2.044534206390381
],
[
2.053642988204956
],
[
2.011490821838379
],
[
1.9827842712402344
],
[
2.138805389404297
],
[
2.0696020126342773
],
[
2.044534206390381
],
[
2.1849613189697266
],
[
1.9110009670257568
],
[
1.9600613117218018
],
[
1.9827842712402344
],
[
1.955004334449768
],
[
1.9536293745040894
],
[
1.9110009670257568
],
[
1.926533818244934
],
[
1.947717308998108
],
[
1.955004334449768
],
[
1.944201946258545
],
[
1.947717308998108
],
[
1.9488039016723633
],
[
1.944201946258545
],
[
1.9536293745040894
],
[
1.9600613117218018
],
[
1.926533818244934
],
[
1.9488039016723633
],
[
2.053642988204956
],
[
2.1849613189697266
],
[
1.9502819776535034
],
[
2.138805389404297
],
[
2.074662208557129
],
[
2.0696020126342773
],
[
2.074662208557129
],
[
1.9502819776535034
],
[
2.061699151992798
],
[
2.0863826274871826
],
[
2.065206289291382
],
[
2.133810520172119
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
16,
17,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
26,
27,
26,
28,
28,
29,
7,
30,
30,
3,
14,
8,
25,
20,
15,
10
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
17,
16,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
27,
26,
28,
26,
29,
28,
30,
7,
3,
30,
8,
14,
20,
25,
10,
15
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
4,
5,
6,
6,
6,
6,
6,
6,
7,
7,
7,
7,
1
] |
[
[
0,
3,
4,
47,
5,
6,
7,
8,
9,
10,
11,
44,
12,
49,
13,
14,
14,
15,
16,
53,
17,
17,
18,
19,
20,
20,
21,
22,
24,
48,
23,
23,
52,
52,
25,
25,
28,
51,
29,
30,
31,
32,
33,
34,
35,
36,
50,
37,
40,
39,
41,
43,
46,
45
],
[
2,
1,
6,
45,
47,
8,
5,
10,
7,
44,
9,
46,
14,
23,
49,
16,
53,
13,
18,
25,
15,
53,
20,
17,
22,
24,
19,
48,
52,
12,
21,
24,
15,
16,
21,
22,
30,
37,
51,
32,
29,
34,
31,
36,
33,
50,
28,
35,
42,
40,
38,
41,
4,
11
]
] |
[
[
2.0988478660583496
],
[
2.0988478660583496
],
[
2.093909740447998
],
[
2.1126389503479004
],
[
2.0863826274871826
],
[
2.0967066287994385
],
[
2.093909740447998
],
[
2.111023187637329
],
[
2.0967066287994385
],
[
2.065206289291382
],
[
2.111023187637329
],
[
2.1126389503479004
],
[
1.9619698524475098
],
[
1.9643728733062744
],
[
1.9504048824310303
],
[
1.9547119140625
],
[
1.9625153541564941
],
[
1.9619698524475098
],
[
1.8232038021087646
],
[
1.79843270778656
],
[
1.9547119140625
],
[
1.7417047023773193
],
[
1.824495792388916
],
[
1.8232038021087646
],
[
1.9426958560943604
],
[
1.7359308004379272
],
[
1.824495792388916
],
[
1.9643728733062744
],
[
1.79843270778656
],
[
1.9504048824310303
],
[
1.9426958560943604
],
[
1.980399489402771
],
[
1.9625153541564941
],
[
1.7417047023773193
],
[
1.7359308004379272
],
[
1.980399489402771
],
[
1.955004334449768
],
[
1.9536293745040894
],
[
1.926533818244934
],
[
1.947717308998108
],
[
1.955004334449768
],
[
1.944201946258545
],
[
1.947717308998108
],
[
1.9488039016723633
],
[
1.944201946258545
],
[
1.9536293745040894
],
[
1.926533818244934
],
[
1.9488039016723633
],
[
1.9502819776535034
],
[
2.074662208557129
],
[
2.074662208557129
],
[
1.9502819776535034
],
[
2.0863826274871826
],
[
2.065206289291382
]
] |
NC(=O)c1cccc(C2CC3CCC(C2)N3CCN(CC2CCCCC2)C(=O)CO)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
18,
19,
19,
20,
12,
21,
21,
22,
22,
23,
23,
24,
9,
25,
25,
26,
26,
27,
3,
28,
28,
29,
29,
30,
30,
31,
30,
1,
27,
4,
26,
7,
23,
10,
20,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
12,
22,
21,
23,
22,
24,
23,
25,
9,
26,
25,
27,
26,
28,
3,
29,
28,
30,
29,
31,
30,
1,
30,
4,
27,
7,
26,
10,
23,
16,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
0,
2,
63,
63,
3,
3,
4,
4,
5,
6,
6,
54,
7,
7,
8,
65,
9,
9,
10,
11,
12,
12,
13,
14,
67,
67,
15,
15,
16,
16,
17,
18,
18,
48,
19,
19,
20,
69,
69,
21,
21,
22,
22,
23,
24,
40,
25,
25,
26,
26,
27,
30,
30,
29,
29,
31,
31,
32,
71,
33,
33,
34,
35,
36,
37,
38,
70,
70,
39,
41,
41,
42,
43,
44,
44,
68,
68,
45,
47,
47,
49,
49,
50,
50,
66,
66,
51,
52,
64,
64,
53,
53,
55,
55,
56,
57,
58,
58,
62,
62,
59,
61,
61
],
[
2,
63,
4,
59,
60,
1,
63,
6,
54,
3,
8,
65,
56,
5,
54,
10,
53,
7,
65,
12,
9,
14,
67,
11,
16,
51,
52,
13,
67,
18,
48,
15,
20,
69,
50,
17,
48,
22,
45,
46,
19,
69,
24,
40,
21,
26,
42,
23,
40,
28,
30,
25,
32,
71,
27,
30,
27,
28,
34,
39,
31,
71,
36,
33,
38,
35,
70,
31,
32,
37,
23,
24,
44,
41,
68,
46,
19,
20,
43,
68,
45,
17,
18,
66,
52,
13,
14,
49,
64,
7,
8,
66,
51,
5,
6,
58,
55,
62,
60,
1,
2,
57,
62,
59
]
] |
[
[
2.118696689605713
],
[
2.0937156677246094
],
[
2.1182234287261963
],
[
2.1156482696533203
],
[
2.0923566818237305
],
[
2.118696689605713
],
[
2.070713758468628
],
[
2.108612060546875
],
[
2.063499927520752
],
[
2.1182234287261963
],
[
2.1171579360961914
],
[
2.117753267288208
],
[
2.1085429191589355
],
[
2.108612060546875
],
[
2.111027479171753
],
[
2.215503454208374
],
[
2.059772253036499
],
[
2.1171579360961914
],
[
2.048236608505249
],
[
1.9491653442382812
],
[
2.215503454208374
],
[
2.2126171588897705
],
[
2.2392992973327637
],
[
1.9491653442382812
],
[
1.8921836614608765
],
[
1.9316630363464355
],
[
2.0543289184570312
],
[
2.2126171588897705
],
[
1.8312299251556396
],
[
2.160975933074951
],
[
1.9231904745101929
],
[
1.8921836614608765
],
[
2.0868897438049316
],
[
2.136277914047241
],
[
1.8464622497558594
],
[
2.160975933074951
],
[
2.19899320602417
],
[
2.1211817264556885
],
[
2.1162912845611572
],
[
2.103273868560791
],
[
2.0868897438049316
],
[
2.059988498687744
],
[
2.0420312881469727
],
[
2.074613094329834
],
[
2.1211817264556885
],
[
2.2357571125030518
],
[
2.1006627082824707
],
[
2.0420312881469727
],
[
2.1665163040161133
],
[
2.1842167377471924
],
[
1.9946956634521484
],
[
2.2357571125030518
],
[
2.250551700592041
],
[
2.0947484970092773
],
[
2.1842167377471924
],
[
2.1042404174804688
],
[
1.9946956634521484
],
[
2.1042404174804688
],
[
1.8264539241790771
],
[
1.8229063749313354
],
[
2.250551700592041
],
[
1.9377450942993164
],
[
1.7982121706008911
],
[
1.8264539241790771
],
[
1.7943079471588135
],
[
1.7982121706008911
],
[
1.8229063749313354
],
[
2.0947484970092773
],
[
1.9377450942993164
],
[
1.7943079471588135
],
[
2.074613094329834
],
[
2.1665163040161133
],
[
2.093569755554199
],
[
2.1006627082824707
],
[
2.1162912845611572
],
[
2.0635948181152344
],
[
2.136277914047241
],
[
2.059988498687744
],
[
2.093569755554199
],
[
2.103273868560791
],
[
2.0635948181152344
],
[
1.9231904745101929
],
[
2.19899320602417
],
[
1.9316630363464355
],
[
2.2971625328063965
],
[
2.2392992973327637
],
[
1.8312299251556396
],
[
1.8464622497558594
],
[
2.059772253036499
],
[
2.117753267288208
],
[
2.048236608505249
],
[
2.0543289184570312
],
[
2.2971625328063965
],
[
2.063499927520752
],
[
2.111027479171753
],
[
2.0896170139312744
],
[
2.1085429191589355
],
[
2.1156482696533203
],
[
2.0751535892486572
],
[
2.0937156677246094
],
[
2.070713758468628
],
[
2.0896170139312744
],
[
2.0923566818237305
],
[
2.0751535892486572
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
11,
12,
14,
15,
16,
17,
17,
18,
18,
19,
19,
20,
12,
21,
21,
22,
22,
23,
23,
24,
9,
25,
25,
26,
26,
27,
3,
28,
28,
29,
29,
30,
30,
31,
30,
1,
27,
4,
26,
7,
23,
10,
20,
16
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
12,
11,
15,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
12,
22,
21,
23,
22,
24,
23,
25,
9,
26,
25,
27,
26,
28,
3,
29,
28,
30,
29,
31,
30,
1,
30,
4,
27,
7,
26,
10,
23,
16,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
3,
4,
4,
5,
5,
5,
5,
5,
2,
2,
2,
2,
1,
1,
1,
0,
0,
0,
0
] |
[
[
0,
0,
2,
53,
53,
3,
3,
4,
5,
44,
6,
55,
7,
8,
9,
10,
10,
11,
12,
57,
57,
13,
13,
14,
15,
38,
16,
59,
59,
17,
18,
19,
30,
22,
61,
23,
24,
25,
26,
27,
28,
60,
29,
31,
32,
33,
34,
34,
58,
35,
37,
37,
39,
40,
40,
56,
56,
41,
42,
54,
43,
43,
45,
46,
47,
48,
48,
52,
52,
49,
51,
51
],
[
2,
53,
4,
49,
50,
1,
53,
44,
3,
46,
8,
43,
55,
10,
7,
12,
57,
9,
14,
41,
42,
11,
57,
38,
13,
40,
18,
35,
36,
59,
30,
17,
32,
24,
29,
61,
26,
23,
28,
25,
60,
22,
27,
19,
34,
31,
58,
36,
16,
33,
58,
35,
15,
56,
42,
11,
12,
39,
54,
6,
56,
41,
5,
48,
45,
52,
50,
1,
2,
47,
52,
49
]
] |
[
[
2.118696689605713
],
[
2.0937156677246094
],
[
2.1182234287261963
],
[
2.1156482696533203
],
[
2.0923566818237305
],
[
2.118696689605713
],
[
2.070713758468628
],
[
2.063499927520752
],
[
2.1182234287261963
],
[
2.1085429191589355
],
[
2.215503454208374
],
[
2.059772253036499
],
[
2.048236608505249
],
[
1.9491653442382812
],
[
2.215503454208374
],
[
2.2126171588897705
],
[
2.2392992973327637
],
[
1.9491653442382812
],
[
1.8921836614608765
],
[
1.9316630363464355
],
[
2.0543289184570312
],
[
2.2126171588897705
],
[
1.8312299251556396
],
[
1.9231904745101929
],
[
1.8921836614608765
],
[
1.8464622497558594
],
[
2.1211817264556885
],
[
2.1162912845611572
],
[
2.103273868560791
],
[
2.059988498687744
],
[
2.074613094329834
],
[
2.1211817264556885
],
[
2.1006627082824707
],
[
1.8264539241790771
],
[
1.8229063749313354
],
[
1.9377450942993164
],
[
1.7982121706008911
],
[
1.8264539241790771
],
[
1.7943079471588135
],
[
1.7982121706008911
],
[
1.8229063749313354
],
[
1.9377450942993164
],
[
1.7943079471588135
],
[
2.074613094329834
],
[
2.093569755554199
],
[
2.1006627082824707
],
[
2.1162912845611572
],
[
2.0635948181152344
],
[
2.059988498687744
],
[
2.093569755554199
],
[
2.103273868560791
],
[
2.0635948181152344
],
[
1.9231904745101929
],
[
1.9316630363464355
],
[
2.2971625328063965
],
[
2.2392992973327637
],
[
1.8312299251556396
],
[
1.8464622497558594
],
[
2.059772253036499
],
[
2.048236608505249
],
[
2.0543289184570312
],
[
2.2971625328063965
],
[
2.063499927520752
],
[
2.0896170139312744
],
[
2.1085429191589355
],
[
2.1156482696533203
],
[
2.0751535892486572
],
[
2.0937156677246094
],
[
2.070713758468628
],
[
2.0896170139312744
],
[
2.0923566818237305
],
[
2.0751535892486572
]
] |
Cc1cc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)ccc1F
|
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
13,
18,
18,
19,
19,
20,
20,
21,
21,
22,
7,
23,
23,
24,
24,
4,
22,
11,
22,
18
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
13,
19,
18,
20,
19,
21,
20,
22,
21,
23,
7,
24,
23,
4,
24,
11,
22,
18,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
49,
9,
9,
10,
11,
12,
12,
13,
14,
14,
14,
44,
15,
15,
20,
20,
17,
17,
17,
19,
19,
19,
21,
21,
21,
22,
51,
51,
23,
23,
24,
24,
25,
26,
34,
34,
27,
27,
28,
28,
29,
31,
31,
33,
33,
35,
35,
36,
53,
53,
37,
37,
38,
39,
40,
41,
42,
42,
50,
50,
52,
52,
43,
45,
45,
46,
48,
48,
47
],
[
2,
4,
6,
8,
49,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
47,
7,
49,
12,
9,
14,
44,
11,
16,
18,
20,
46,
13,
44,
22,
51,
15,
18,
20,
15,
16,
20,
15,
16,
18,
24,
52,
43,
21,
51,
26,
34,
23,
28,
36,
53,
25,
34,
30,
32,
27,
29,
32,
29,
30,
25,
26,
38,
50,
43,
35,
53,
40,
37,
42,
39,
50,
52,
21,
22,
35,
36,
41,
13,
14,
48,
7,
8,
45
]
] |
[
[
1.8887724876403809
],
[
1.8878964185714722
],
[
1.8011752367019653
],
[
2.0846855640411377
],
[
2.0864598751068115
],
[
1.8887724876403809
],
[
2.1104226112365723
],
[
1.8751949071884155
],
[
1.8878964185714722
],
[
2.1104226112365723
],
[
1.8761858940124512
],
[
1.8011752367019653
],
[
1.8751949071884155
],
[
1.8761858940124512
],
[
2.085846424102783
],
[
2.0859179496765137
],
[
2.0846855640411377
],
[
2.111527919769287
],
[
2.085798740386963
],
[
2.085846424102783
],
[
2.0834922790527344
],
[
2.1106958389282227
],
[
2.085798740386963
],
[
1.8853181600570679
],
[
1.909160852432251
],
[
1.8113179206848145
],
[
2.0860376358032227
],
[
2.0834922790527344
],
[
2.088958740234375
],
[
2.1806583404541016
],
[
2.1901462078094482
],
[
1.8853181600570679
],
[
2.133319854736328
],
[
1.8538602590560913
],
[
1.909160852432251
],
[
2.133319854736328
],
[
1.8438074588775635
],
[
1.8113179206848145
],
[
1.8538602590560913
],
[
1.8438074588775635
],
[
1.8937275409698486
],
[
1.8727850914001465
],
[
2.4285075664520264
],
[
2.1806583404541016
],
[
1.899047613143921
],
[
2.222620964050293
],
[
1.8111624717712402
],
[
1.8937275409698486
],
[
1.962742567062378
],
[
2.323848009109497
],
[
1.9479109048843384
],
[
2.222620964050293
],
[
2.2491822242736816
],
[
2.2380731105804443
],
[
1.9513840675354004
],
[
1.962742567062378
],
[
2.2380731105804443
],
[
2.0936102867126465
],
[
1.9513840675354004
],
[
2.0936102867126465
],
[
1.8111624717712402
],
[
2.2491822242736816
],
[
1.8948323726654053
],
[
1.8727850914001465
],
[
1.9815576076507568
],
[
2.323848009109497
],
[
2.0111770629882812
],
[
1.9655016660690308
],
[
1.8948323726654053
],
[
1.5715488195419312
],
[
1.9655016660690308
],
[
2.4285075664520264
],
[
1.9815576076507568
],
[
2.1901462078094482
],
[
1.899047613143921
],
[
1.9479109048843384
],
[
2.0111770629882812
],
[
1.5715488195419312
],
[
2.1106958389282227
],
[
2.088958740234375
],
[
2.0859179496765137
],
[
2.0864598751068115
],
[
2.111527919769287
],
[
2.0860376358032227
]
] |
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
14,
15,
15,
16,
15,
17,
13,
18,
18,
19,
19,
20,
20,
21,
21,
22,
7,
23,
23,
24,
24,
4,
22,
11,
22,
18
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
15,
14,
16,
15,
17,
15,
18,
13,
19,
18,
20,
19,
21,
20,
22,
21,
23,
7,
24,
23,
4,
24,
11,
22,
18,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
47,
9,
9,
10,
11,
12,
12,
13,
14,
14,
14,
42,
15,
15,
20,
20,
17,
17,
17,
19,
19,
19,
21,
21,
21,
22,
49,
49,
23,
23,
24,
25,
32,
32,
26,
26,
29,
29,
31,
31,
33,
34,
51,
51,
35,
35,
36,
37,
38,
39,
40,
40,
48,
48,
50,
50,
41,
43,
43,
44,
46,
46,
45
],
[
2,
4,
6,
8,
47,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
45,
7,
47,
12,
9,
14,
42,
11,
16,
18,
20,
44,
13,
42,
22,
49,
15,
18,
20,
15,
16,
20,
15,
16,
18,
24,
50,
41,
21,
49,
32,
23,
34,
51,
28,
30,
27,
30,
27,
28,
25,
36,
48,
41,
33,
51,
38,
35,
40,
37,
48,
50,
21,
22,
33,
34,
39,
13,
14,
46,
7,
8,
43
]
] |
[
[
1.8887724876403809
],
[
1.8878964185714722
],
[
1.8011752367019653
],
[
2.0846855640411377
],
[
2.0864598751068115
],
[
1.8887724876403809
],
[
2.1104226112365723
],
[
1.8751949071884155
],
[
1.8878964185714722
],
[
2.1104226112365723
],
[
1.8761858940124512
],
[
1.8011752367019653
],
[
1.8751949071884155
],
[
1.8761858940124512
],
[
2.085846424102783
],
[
2.0859179496765137
],
[
2.0846855640411377
],
[
2.111527919769287
],
[
2.085798740386963
],
[
2.085846424102783
],
[
2.0834922790527344
],
[
2.1106958389282227
],
[
2.085798740386963
],
[
1.8853181600570679
],
[
1.909160852432251
],
[
1.8113179206848145
],
[
2.0860376358032227
],
[
2.0834922790527344
],
[
2.088958740234375
],
[
2.1806583404541016
],
[
2.1901462078094482
],
[
1.8853181600570679
],
[
2.133319854736328
],
[
1.8538602590560913
],
[
1.909160852432251
],
[
2.133319854736328
],
[
1.8438074588775635
],
[
1.8113179206848145
],
[
1.8538602590560913
],
[
1.8438074588775635
],
[
1.8937275409698486
],
[
1.8727850914001465
],
[
2.4285075664520264
],
[
2.1806583404541016
],
[
1.899047613143921
],
[
1.8111624717712402
],
[
1.8937275409698486
],
[
2.323848009109497
],
[
1.9479109048843384
],
[
2.2380731105804443
],
[
1.9513840675354004
],
[
2.2380731105804443
],
[
2.0936102867126465
],
[
1.9513840675354004
],
[
2.0936102867126465
],
[
1.8111624717712402
],
[
1.8948323726654053
],
[
1.8727850914001465
],
[
1.9815576076507568
],
[
2.323848009109497
],
[
2.0111770629882812
],
[
1.9655016660690308
],
[
1.8948323726654053
],
[
1.5715488195419312
],
[
1.9655016660690308
],
[
2.4285075664520264
],
[
1.9815576076507568
],
[
2.1901462078094482
],
[
1.899047613143921
],
[
1.9479109048843384
],
[
2.0111770629882812
],
[
1.5715488195419312
],
[
2.1106958389282227
],
[
2.088958740234375
],
[
2.0859179496765137
],
[
2.0864598751068115
],
[
2.111527919769287
],
[
2.0860376358032227
]
] |
CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)O)c3ccsc32)cc1
|
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
7,
20,
20,
21,
21,
4,
19,
15
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
7,
21,
20,
4,
21,
15,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
15,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
43,
9,
9,
10,
11,
12,
12,
13,
14,
14,
38,
15,
15,
18,
17,
17,
19,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
27,
28,
28,
29,
30,
45,
31,
31,
32,
33,
34,
35,
36,
44,
44,
37,
39,
39,
40,
42,
42,
41
],
[
2,
4,
6,
8,
43,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
41,
7,
43,
12,
9,
14,
38,
11,
16,
18,
40,
13,
38,
20,
15,
18,
15,
16,
22,
24,
19,
26,
21,
24,
21,
22,
28,
25,
30,
45,
27,
32,
37,
29,
45,
34,
31,
36,
33,
44,
29,
30,
35,
13,
14,
42,
7,
8,
39
]
] |
[
[
1.8699501752853394
],
[
1.906241774559021
],
[
1.9140516519546509
],
[
2.0959112644195557
],
[
2.1400277614593506
],
[
1.8699501752853394
],
[
1.8713699579238892
],
[
1.987200140953064
],
[
1.906241774559021
],
[
1.8713699579238892
],
[
1.9130642414093018
],
[
1.9140516519546509
],
[
1.987200140953064
],
[
1.9130642414093018
],
[
2.1240110397338867
],
[
2.116835594177246
],
[
2.0959112644195557
],
[
2.047187089920044
],
[
2.0931341648101807
],
[
2.1240110397338867
],
[
2.132401943206787
],
[
2.0826592445373535
],
[
2.0931341648101807
],
[
2.0915043354034424
],
[
2.0209388732910156
],
[
2.102207660675049
],
[
2.132401943206787
],
[
2.0678653717041016
],
[
2.2482314109802246
],
[
2.0915043354034424
],
[
2.1698343753814697
],
[
2.0209388732910156
],
[
2.1698343753814697
],
[
2.057433843612671
],
[
2.0239133834838867
],
[
2.2482314109802246
],
[
2.2156901359558105
],
[
2.057433843612671
],
[
2.2013797760009766
],
[
2.0239133834838867
],
[
2.2013797760009766
],
[
1.9578677415847778
],
[
2.2156901359558105
],
[
2.000044345855713
],
[
1.9260830879211426
],
[
1.9578677415847778
],
[
1.7763465642929077
],
[
1.891204833984375
],
[
2.000044345855713
],
[
1.8613479137420654
],
[
1.7767398357391357
],
[
1.7763465642929077
],
[
1.859723448753357
],
[
1.7767398357391357
],
[
1.891204833984375
],
[
1.9260830879211426
],
[
1.8613479137420654
],
[
1.859723448753357
],
[
2.0826592445373535
],
[
2.0678653717041016
],
[
2.116835594177246
],
[
2.1400277614593506
],
[
2.047187089920044
],
[
2.102207660675049
]
] |
[
[
0,
1,
1,
2,
1,
3,
4,
5,
5,
6,
6,
7,
8,
9,
10,
11,
11,
12,
11,
13,
15,
16,
16,
17,
17,
18,
18,
19,
7,
20,
20,
21,
21,
4,
19,
15
],
[
1,
0,
2,
1,
3,
1,
5,
4,
6,
5,
7,
6,
9,
8,
11,
10,
12,
11,
13,
11,
16,
15,
17,
16,
18,
17,
19,
18,
20,
7,
21,
20,
4,
21,
15,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
2,
2,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
1,
1
] |
[
[
0,
0,
3,
3,
5,
5,
6,
33,
7,
8,
9,
10,
11,
28,
14,
14,
17,
17,
19,
19,
20,
35,
21,
22,
23,
24,
25,
26,
34,
27,
29,
30,
32,
31
],
[
2,
4,
1,
4,
1,
2,
8,
31,
33,
10,
7,
28,
9,
30,
16,
18,
15,
18,
15,
16,
22,
27,
35,
24,
21,
26,
23,
34,
20,
25,
11,
32,
6,
29
]
] |
[
[
1.8699501752853394
],
[
1.906241774559021
],
[
1.8699501752853394
],
[
1.8713699579238892
],
[
1.906241774559021
],
[
1.8713699579238892
],
[
2.1240110397338867
],
[
2.116835594177246
],
[
2.047187089920044
],
[
2.0931341648101807
],
[
2.1240110397338867
],
[
2.0826592445373535
],
[
2.0931341648101807
],
[
2.102207660675049
],
[
2.057433843612671
],
[
2.0239133834838867
],
[
2.057433843612671
],
[
2.2013797760009766
],
[
2.0239133834838867
],
[
2.2013797760009766
],
[
1.7763465642929077
],
[
1.891204833984375
],
[
1.8613479137420654
],
[
1.7767398357391357
],
[
1.7763465642929077
],
[
1.859723448753357
],
[
1.7767398357391357
],
[
1.891204833984375
],
[
1.8613479137420654
],
[
1.859723448753357
],
[
2.0826592445373535
],
[
2.116835594177246
],
[
2.047187089920044
],
[
2.102207660675049
]
] |
CC(C)(C)c1ccc(C(=O)NC(=S)NCC2CCCO2)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
9,
16,
5,
17,
17,
1,
16,
6,
15,
10
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
9,
17,
5,
1,
17,
6,
16,
10,
15
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
35,
3,
3,
4,
5,
6,
7,
8,
8,
9,
10,
10,
32,
11,
11,
12,
37,
13,
13,
14,
15,
16,
16,
17,
18,
18,
30,
19,
19,
20,
39,
21,
21,
22,
23,
24,
25,
26,
27,
28,
38,
38,
29,
36,
36,
31,
31,
34,
34,
33,
33
],
[
2,
35,
4,
33,
1,
35,
6,
3,
8,
5,
10,
32,
7,
12,
37,
34,
9,
32,
14,
31,
11,
37,
16,
13,
18,
30,
15,
20,
39,
36,
17,
30,
22,
29,
19,
39,
24,
21,
26,
23,
28,
25,
38,
19,
20,
27,
11,
12,
17,
18,
1,
2,
9,
10
]
] |
[
[
2.0876998901367188
],
[
2.0886454582214355
],
[
2.0913095474243164
],
[
2.0848872661590576
],
[
2.0876998901367188
],
[
2.1068172454833984
],
[
2.096433162689209
],
[
2.0913095474243164
],
[
2.0929503440856934
],
[
2.096433162689209
],
[
2.096561908721924
],
[
2.093923807144165
],
[
2.0929503440856934
],
[
2.1484055519104004
],
[
2.146165609359741
],
[
2.0848872661590576
],
[
2.096561908721924
],
[
2.092674970626831
],
[
1.842162847518921
],
[
1.7630321979522705
],
[
2.1484055519104004
],
[
1.988588571548462
],
[
1.864257574081421
],
[
1.842162847518921
],
[
2.1434459686279297
],
[
1.9667125940322876
],
[
1.864257574081421
],
[
2.1283884048461914
],
[
2.1113147735595703
],
[
1.7630321979522705
],
[
2.1434459686279297
],
[
2.173001527786255
],
[
2.0929465293884277
],
[
2.169647216796875
],
[
2.1283884048461914
],
[
2.043457508087158
],
[
2.0653271675109863
],
[
2.0929465293884277
],
[
2.157745599746704
],
[
2.0653271675109863
],
[
2.037196159362793
],
[
2.157745599746704
],
[
2.169647216796875
],
[
2.1113147735595703
],
[
2.043457508087158
],
[
2.037196159362793
],
[
2.146165609359741
],
[
1.988588571548462
],
[
1.9667125940322876
],
[
2.173001527786255
],
[
2.0886454582214355
],
[
2.1068172454833984
],
[
2.093923807144165
],
[
2.092674970626831
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
8,
9,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
9,
16,
5,
17,
17,
1,
16,
6,
15,
10
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
9,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
9,
17,
5,
1,
17,
6,
16,
10,
15
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
1,
0
] |
[
[
0,
0,
2,
31,
3,
3,
4,
5,
6,
7,
8,
9,
28,
10,
33,
11,
12,
13,
14,
15,
26,
16,
35,
17,
18,
19,
20,
21,
22,
23,
24,
34,
25,
32,
27,
30,
30,
29
],
[
2,
31,
4,
29,
1,
31,
6,
3,
8,
5,
28,
7,
30,
12,
27,
33,
14,
11,
26,
13,
32,
18,
25,
35,
20,
17,
22,
19,
24,
21,
34,
16,
23,
10,
15,
1,
2,
9
]
] |
[
[
2.0876998901367188
],
[
2.0886454582214355
],
[
2.0913095474243164
],
[
2.0848872661590576
],
[
2.0876998901367188
],
[
2.1068172454833984
],
[
2.096433162689209
],
[
2.0913095474243164
],
[
2.0929503440856934
],
[
2.096433162689209
],
[
2.093923807144165
],
[
2.0929503440856934
],
[
2.0848872661590576
],
[
1.842162847518921
],
[
1.7630321979522705
],
[
1.988588571548462
],
[
1.864257574081421
],
[
1.842162847518921
],
[
1.9667125940322876
],
[
1.864257574081421
],
[
1.7630321979522705
],
[
2.0929465293884277
],
[
2.169647216796875
],
[
2.043457508087158
],
[
2.0653271675109863
],
[
2.0929465293884277
],
[
2.157745599746704
],
[
2.0653271675109863
],
[
2.037196159362793
],
[
2.157745599746704
],
[
2.169647216796875
],
[
2.043457508087158
],
[
2.037196159362793
],
[
1.988588571548462
],
[
1.9667125940322876
],
[
2.0886454582214355
],
[
2.1068172454833984
],
[
2.093923807144165
]
] |
Brc1cccc(-n2nnc(-c3cccnc3)n2)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
21,
26,
26,
27,
26,
28,
28,
29,
28,
30,
16,
31,
31,
32,
31,
33,
10,
34,
34,
35,
34,
36,
34,
37,
5,
38,
38,
39,
39,
40,
40,
41,
41,
42,
1,
43,
43,
44,
44,
45,
45,
46,
46,
47,
47,
48,
42,
5,
48,
43,
17,
13,
25,
23,
31,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
21,
27,
26,
28,
26,
29,
28,
30,
28,
31,
16,
32,
31,
33,
31,
34,
10,
35,
34,
36,
34,
37,
34,
38,
5,
39,
38,
40,
39,
41,
40,
42,
41,
43,
1,
44,
43,
45,
44,
46,
45,
47,
46,
48,
47,
5,
42,
43,
48,
13,
17,
23,
25,
15,
31
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
84,
84,
3,
3,
4,
4,
5,
8,
8,
8,
7,
7,
9,
9,
10,
74,
97,
11,
11,
11,
12,
12,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
20,
66,
66,
66,
21,
21,
24,
24,
23,
23,
25,
25,
26,
101,
101,
27,
27,
28,
28,
29,
30,
30,
105,
105,
105,
31,
31,
32,
32,
60,
60,
60,
100,
100,
33,
33,
34,
34,
35,
35,
38,
37,
37,
39,
39,
40,
40,
41,
42,
50,
50,
43,
43,
44,
44,
45,
46,
103,
47,
47,
48,
102,
102,
49,
51,
51,
54,
54,
53,
53,
55,
55,
57,
57,
59,
59,
104,
104,
61,
61,
63,
63,
63,
65,
65,
65,
67,
67,
69,
69,
69,
71,
71,
71,
73,
73,
73,
75,
75,
75,
76,
77,
78,
79,
80,
81,
82,
96,
96,
96,
83,
85,
85,
86,
99,
87,
87,
88,
89,
90,
91,
92,
93,
94,
98,
98,
95
],
[
2,
84,
4,
86,
99,
1,
84,
6,
8,
3,
10,
74,
97,
5,
8,
5,
6,
12,
76,
83,
9,
74,
97,
14,
16,
11,
18,
13,
16,
13,
14,
20,
66,
17,
22,
24,
68,
70,
72,
19,
66,
26,
101,
21,
24,
21,
22,
28,
33,
34,
25,
101,
30,
105,
27,
32,
60,
61,
62,
64,
29,
105,
100,
34,
104,
62,
64,
25,
26,
31,
60,
36,
38,
100,
33,
40,
35,
38,
35,
36,
42,
50,
39,
44,
52,
54,
41,
50,
46,
103,
43,
48,
49,
45,
103,
102,
45,
46,
47,
41,
42,
56,
58,
51,
54,
51,
52,
55,
58,
55,
56,
29,
30,
31,
32,
104,
61,
64,
104,
61,
62,
19,
20,
67,
70,
72,
67,
68,
72,
67,
68,
70,
9,
10,
97,
78,
75,
80,
77,
82,
79,
96,
9,
10,
74,
81,
1,
2,
88,
95,
85,
99,
90,
87,
92,
89,
94,
91,
98,
85,
86,
93
]
] |
[
[
1.8816157579421997
],
[
1.9552807807922363
],
[
2.0400404930114746
],
[
2.091871738433838
],
[
2.1211204528808594
],
[
1.8816157579421997
],
[
1.883621335029602
],
[
2.188587188720703
],
[
1.9531670808792114
],
[
2.0400404930114746
],
[
1.8770430088043213
],
[
1.8479180335998535
],
[
1.9949871301651
],
[
2.188587188720703
],
[
2.1405529975891113
],
[
1.9531670808792114
],
[
2.1405529975891113
],
[
2.107424259185791
],
[
1.9718233346939087
],
[
1.9667472839355469
],
[
1.8770430088043213
],
[
1.8923213481903076
],
[
1.9584553241729736
],
[
2.1755592823028564
],
[
1.9240832328796387
],
[
2.107424259185791
],
[
2.1206531524658203
],
[
2.1755592823028564
],
[
2.183459520339966
],
[
1.9240832328796387
],
[
2.183459520339966
],
[
2.004763126373291
],
[
1.9644275903701782
],
[
2.1206531524658203
],
[
2.0706560611724854
],
[
2.1415202617645264
],
[
1.934906244277954
],
[
1.9248554706573486
],
[
1.9624881744384766
],
[
2.004763126373291
],
[
1.9826712608337402
],
[
2.2134926319122314
],
[
2.0600812435150146
],
[
2.0706560611724854
],
[
2.069791793823242
],
[
2.1415202617645264
],
[
2.069791793823242
],
[
1.8531070947647095
],
[
1.8264412879943848
],
[
2.077573776245117
],
[
2.2134926319122314
],
[
1.960777997970581
],
[
1.8899084329605103
],
[
2.164837121963501
],
[
1.8531070947647095
],
[
1.8936954736709595
],
[
1.0520782470703125
],
[
1.0245907306671143
],
[
2.0433456897735596
],
[
2.1019864082336426
],
[
1.8899084329605103
],
[
1.0649467706680298
],
[
1.8264412879943848
],
[
1.9457085132598877
],
[
1.0245907306671143
],
[
2.0343358516693115
],
[
2.1165056228637695
],
[
2.0600812435150146
],
[
1.960777997970581
],
[
1.8936954736709595
],
[
2.1985912322998047
],
[
2.1233229637145996
],
[
2.028069496154785
],
[
2.077573776245117
],
[
1.9457085132598877
],
[
2.128830909729004
],
[
2.1233229637145996
],
[
2.1313087940216064
],
[
2.028069496154785
],
[
2.1313087940216064
],
[
1.9507949352264404
],
[
1.8860909938812256
],
[
2.128830909729004
],
[
1.9886807203292847
],
[
2.1699562072753906
],
[
2.0351905822753906
],
[
1.9507949352264404
],
[
1.95722234249115
],
[
2.0984063148498535
],
[
2.0733566284179688
],
[
1.9886807203292847
],
[
1.0524160861968994
],
[
1.0501794815063477
],
[
2.0984063148498535
],
[
1.03902006149292
],
[
1.0501794815063477
],
[
2.0733566284179688
],
[
1.03902006149292
],
[
1.0524160861968994
],
[
1.8860909938812256
],
[
1.95722234249115
],
[
1.9938132762908936
],
[
2.1266603469848633
],
[
2.1699562072753906
],
[
2.0779929161071777
],
[
2.0351905822753906
],
[
2.0779929161071777
],
[
1.9938132762908936
],
[
2.1626243591308594
],
[
2.1266603469848633
],
[
2.1626243591308594
],
[
2.164837121963501
],
[
1.0649467706680298
],
[
1.0520782470703125
],
[
2.1985912322998047
],
[
2.0433456897735596
],
[
2.0343358516693115
],
[
1.9685544967651367
],
[
2.1019864082336426
],
[
2.1165056228637695
],
[
1.9685544967651367
],
[
1.9644275903701782
],
[
1.9826712608337402
],
[
1.934906244277954
],
[
1.8655191659927368
],
[
1.8842191696166992
],
[
1.9248554706573486
],
[
1.8655191659927368
],
[
1.888425350189209
],
[
1.9624881744384766
],
[
1.8842191696166992
],
[
1.888425350189209
],
[
1.8479180335998535
],
[
1.8923213481903076
],
[
1.8877314329147339
],
[
1.9536992311477661
],
[
1.9718233346939087
],
[
1.9500244855880737
],
[
1.9536992311477661
],
[
1.9439308643341064
],
[
1.9500244855880737
],
[
1.9667472839355469
],
[
1.9949871301651
],
[
1.9584553241729736
],
[
1.8877314329147339
],
[
1.9439308643341064
],
[
1.9552807807922363
],
[
1.883621335029602
],
[
2.104907989501953
],
[
2.107597827911377
],
[
2.091871738433838
],
[
2.0699355602264404
],
[
2.096114158630371
],
[
2.104907989501953
],
[
2.094109058380127
],
[
2.096114158630371
],
[
2.093583822250366
],
[
2.094109058380127
],
[
2.107597827911377
],
[
2.1211204528808594
],
[
2.0699355602264404
],
[
2.093583822250366
]
] |
[
[
0,
1,
3,
4,
7,
8,
10,
11,
11,
12,
13,
14,
14,
15,
15,
16,
16,
17,
18,
19,
21,
22,
23,
24,
24,
25,
21,
26,
26,
27,
26,
28,
28,
29,
28,
30,
16,
31,
31,
32,
31,
33,
10,
34,
34,
35,
34,
36,
34,
37,
5,
38,
38,
39,
39,
40,
40,
41,
41,
42,
43,
44,
44,
45,
45,
46,
46,
47,
47,
48,
42,
5,
48,
43,
17,
13,
25,
23,
31,
15
],
[
1,
0,
4,
3,
8,
7,
11,
10,
12,
11,
14,
13,
15,
14,
16,
15,
17,
16,
19,
18,
22,
21,
24,
23,
25,
24,
26,
21,
27,
26,
28,
26,
29,
28,
30,
28,
31,
16,
32,
31,
33,
31,
34,
10,
35,
34,
36,
34,
37,
34,
38,
5,
39,
38,
40,
39,
41,
40,
42,
41,
44,
43,
45,
44,
46,
45,
47,
46,
48,
47,
5,
42,
43,
48,
13,
17,
23,
25,
15,
31
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
2,
2,
3,
4,
5,
5,
6,
7,
7,
7,
8,
8,
8,
8,
8,
9,
9,
10,
11,
11,
12,
12,
12,
11,
11,
11,
11,
11,
8,
8,
8,
7,
7,
7,
7,
3,
3,
3,
3,
3,
13,
13,
13,
13,
13,
13
] |
[
[
50,
71,
6,
42,
42,
42,
7,
9,
10,
75,
11,
12,
12,
13,
14,
14,
79,
79,
79,
15,
15,
16,
36,
36,
36,
74,
17,
17,
26,
26,
21,
22,
77,
23,
24,
76,
25,
27,
30,
30,
29,
29,
31,
31,
33,
33,
35,
35,
78,
78,
37,
37,
39,
39,
39,
41,
41,
41,
43,
45,
45,
45,
47,
47,
47,
49,
49,
49,
51,
52,
53,
54,
55,
56,
57,
58,
70,
59,
60,
73,
61,
62,
63,
64,
65,
66,
67,
68,
72,
69
],
[
52,
59,
8,
44,
46,
48,
42,
7,
12,
17,
75,
14,
79,
11,
16,
36,
37,
38,
40,
13,
79,
74,
78,
38,
40,
10,
15,
36,
28,
30,
26,
24,
25,
77,
76,
22,
23,
20,
32,
34,
27,
30,
27,
28,
31,
34,
31,
32,
13,
14,
15,
16,
78,
37,
40,
78,
37,
38,
6,
43,
46,
48,
43,
44,
48,
43,
44,
46,
71,
54,
51,
56,
53,
58,
55,
70,
50,
57,
62,
69,
73,
64,
61,
66,
63,
68,
65,
72,
60,
67
]
] |
[
[
1.9718233346939087
],
[
1.9667472839355469
],
[
2.0706560611724854
],
[
1.934906244277954
],
[
1.9248554706573486
],
[
1.9624881744384766
],
[
1.9826712608337402
],
[
2.0706560611724854
],
[
1.8531070947647095
],
[
1.8264412879943848
],
[
1.960777997970581
],
[
1.8899084329605103
],
[
2.164837121963501
],
[
1.8531070947647095
],
[
1.8936954736709595
],
[
1.0520782470703125
],
[
1.0245907306671143
],
[
2.0433456897735596
],
[
2.1019864082336426
],
[
1.8899084329605103
],
[
1.0649467706680298
],
[
1.8264412879943848
],
[
1.0245907306671143
],
[
2.0343358516693115
],
[
2.1165056228637695
],
[
1.960777997970581
],
[
1.8936954736709595
],
[
2.1985912322998047
],
[
2.1699562072753906
],
[
2.0351905822753906
],
[
1.95722234249115
],
[
1.0524160861968994
],
[
1.0501794815063477
],
[
1.03902006149292
],
[
1.0501794815063477
],
[
1.03902006149292
],
[
1.0524160861968994
],
[
1.95722234249115
],
[
1.9938132762908936
],
[
2.1266603469848633
],
[
2.1699562072753906
],
[
2.0779929161071777
],
[
2.0351905822753906
],
[
2.0779929161071777
],
[
1.9938132762908936
],
[
2.1626243591308594
],
[
2.1266603469848633
],
[
2.1626243591308594
],
[
2.164837121963501
],
[
1.0649467706680298
],
[
1.0520782470703125
],
[
2.1985912322998047
],
[
2.0433456897735596
],
[
2.0343358516693115
],
[
1.9685544967651367
],
[
2.1019864082336426
],
[
2.1165056228637695
],
[
1.9685544967651367
],
[
1.9826712608337402
],
[
1.934906244277954
],
[
1.8655191659927368
],
[
1.8842191696166992
],
[
1.9248554706573486
],
[
1.8655191659927368
],
[
1.888425350189209
],
[
1.9624881744384766
],
[
1.8842191696166992
],
[
1.888425350189209
],
[
1.8877314329147339
],
[
1.9536992311477661
],
[
1.9718233346939087
],
[
1.9500244855880737
],
[
1.9536992311477661
],
[
1.9439308643341064
],
[
1.9500244855880737
],
[
1.9667472839355469
],
[
1.8877314329147339
],
[
1.9439308643341064
],
[
2.104907989501953
],
[
2.107597827911377
],
[
2.0699355602264404
],
[
2.096114158630371
],
[
2.104907989501953
],
[
2.094109058380127
],
[
2.096114158630371
],
[
2.093583822250366
],
[
2.094109058380127
],
[
2.107597827911377
],
[
2.0699355602264404
],
[
2.093583822250366
]
] |
CC(OC(=O)C1(NC(=O)NC(C(=O)N2CC3C(C2C(=O)NC(CC2CC2)C(=O)C(N)=O)C3(C)C)C(C)(C)C)CCCCC1)c1ccccc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
8
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
8,
12
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
9,
10,
10,
11,
14,
14,
13,
13,
15,
15,
16,
25,
17,
17,
18,
19,
20,
21,
22,
24,
24,
23
],
[
2,
4,
1,
6,
3,
8,
5,
10,
7,
12,
14,
9,
16,
25,
11,
14,
11,
12,
18,
23,
15,
25,
20,
17,
22,
19,
24,
15,
16,
21
]
] |
[
[
1.947481632232666
],
[
1.9063481092453003
],
[
1.947481632232666
],
[
1.9495213031768799
],
[
1.9063481092453003
],
[
1.947160243988037
],
[
1.9495213031768799
],
[
2.1405673027038574
],
[
1.947160243988037
],
[
2.119567394256592
],
[
2.022894859313965
],
[
2.1405673027038574
],
[
2.208033561706543
],
[
2.1391897201538086
],
[
2.119567394256592
],
[
2.140676498413086
],
[
2.022894859313965
],
[
2.140676498413086
],
[
1.968719482421875
],
[
1.6131049394607544
],
[
2.208033561706543
],
[
1.9359376430511475
],
[
1.951901912689209
],
[
1.968719482421875
],
[
1.9550913572311401
],
[
1.951901912689209
],
[
1.6131049394607544
],
[
2.1391897201538086
],
[
1.9359376430511475
],
[
1.9550913572311401
]
] |
[
[
0,
1,
2,
3,
3,
4,
6,
7,
8,
9,
9,
10,
10,
11,
11,
12,
12,
8
],
[
1,
0,
3,
2,
4,
3,
7,
6,
9,
8,
10,
9,
11,
10,
12,
11,
8,
12
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
2,
3,
3,
4,
4,
4,
4,
4
] |
[
[
2,
5,
8,
17,
9,
10,
11,
12,
13,
14,
16,
15
],
[
4,
3,
10,
15,
17,
12,
9,
14,
11,
16,
8,
13
]
] |
[
[
1.9495213031768799
],
[
1.9495213031768799
],
[
1.968719482421875
],
[
1.6131049394607544
],
[
1.9359376430511475
],
[
1.951901912689209
],
[
1.968719482421875
],
[
1.9550913572311401
],
[
1.951901912689209
],
[
1.6131049394607544
],
[
1.9359376430511475
],
[
1.9550913572311401
]
] |
COCCCNC(=O)c1cccs1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
18,
22,
22,
23,
23,
24,
9,
25,
25,
6,
22,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
18,
23,
22,
24,
23,
25,
9,
6,
25,
15,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
51,
13,
13,
14,
15,
16,
16,
17,
18,
48,
19,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
27,
28,
28,
29,
30,
53,
53,
31,
31,
32,
33,
34,
34,
35,
36,
36,
42,
42,
37,
37,
39,
39,
41,
41,
52,
52,
43,
43,
44,
45,
45,
47,
50,
50,
49,
49
],
[
2,
4,
1,
6,
8,
3,
10,
5,
8,
5,
6,
12,
51,
9,
14,
49,
11,
51,
16,
13,
18,
48,
15,
20,
50,
17,
48,
22,
24,
19,
26,
21,
24,
21,
22,
28,
25,
30,
53,
27,
32,
43,
44,
29,
53,
34,
31,
36,
42,
33,
38,
40,
52,
44,
35,
42,
37,
40,
37,
38,
29,
30,
35,
36,
46,
52,
43,
45,
11,
12,
17,
18
]
] |
[
[
1.888609528541565
],
[
1.9956810474395752
],
[
1.888609528541565
],
[
2.168942451477051
],
[
1.907342791557312
],
[
1.9956810474395752
],
[
1.9729262590408325
],
[
2.168942451477051
],
[
2.2057313919067383
],
[
1.907342791557312
],
[
2.2057313919067383
],
[
2.222569465637207
],
[
2.0644710063934326
],
[
1.9729262590408325
],
[
1.920303225517273
],
[
1.9186878204345703
],
[
2.222569465637207
],
[
1.9956612586975098
],
[
1.5594522953033447
],
[
1.920303225517273
],
[
1.9915262460708618
],
[
2.030341863632202
],
[
1.5594522953033447
],
[
2.140902042388916
],
[
1.9186878204345703
],
[
1.9915262460708618
],
[
2.261291027069092
],
[
2.2114219665527344
],
[
1.9730385541915894
],
[
2.140902042388916
],
[
1.930357575416565
],
[
2.2114219665527344
],
[
2.098690986633301
],
[
1.9730385541915894
],
[
2.098690986633301
],
[
1.7470329999923706
],
[
1.930357575416565
],
[
2.1743245124816895
],
[
2.184262990951538
],
[
1.7470329999923706
],
[
1.8773455619812012
],
[
1.8342939615249634
],
[
2.2032039165496826
],
[
2.1743245124816895
],
[
1.9221558570861816
],
[
1.898766279220581
],
[
1.8773455619812012
],
[
2.146728992462158
],
[
1.8918116092681885
],
[
1.898766279220581
],
[
1.9873195886611938
],
[
1.9578218460083008
],
[
1.8342939615249634
],
[
2.2455828189849854
],
[
2.146728992462158
],
[
2.244544267654419
],
[
1.9873195886611938
],
[
1.9590678215026855
],
[
1.9578218460083008
],
[
1.9590678215026855
],
[
2.184262990951538
],
[
1.9221558570861816
],
[
1.8918116092681885
],
[
2.244544267654419
],
[
1.9737050533294678
],
[
2.2032039165496826
],
[
2.2455828189849854
],
[
1.9737050533294678
],
[
2.0644710063934326
],
[
1.9956612586975098
],
[
2.030341863632202
],
[
2.261291027069092
]
] |
[
[
0,
1,
3,
4,
3,
5,
6,
7,
7,
8,
8,
9,
11,
12,
11,
13,
15,
16,
16,
17,
17,
18,
19,
20,
19,
21,
18,
22,
23,
24,
9,
25,
25,
6,
22,
15
],
[
1,
0,
4,
3,
5,
3,
7,
6,
8,
7,
9,
8,
12,
11,
13,
11,
16,
15,
17,
16,
18,
17,
20,
19,
21,
19,
22,
18,
24,
23,
25,
9,
6,
25,
15,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
3,
3,
3,
3,
4,
5,
5,
5,
6,
7,
7,
7,
7,
8,
8,
8,
7,
9,
9,
3
] |
[
[
3,
5,
6,
33,
7,
8,
9,
10,
11,
30,
13,
15,
16,
35,
17,
18,
19,
20,
21,
26,
23,
25,
34,
27,
32,
31
],
[
4,
2,
8,
31,
33,
10,
7,
30,
9,
32,
14,
12,
18,
27,
35,
20,
17,
26,
19,
34,
24,
22,
16,
21,
6,
11
]
] |
[
[
2.2057313919067383
],
[
2.2057313919067383
],
[
1.920303225517273
],
[
1.9186878204345703
],
[
1.9956612586975098
],
[
1.5594522953033447
],
[
1.920303225517273
],
[
2.030341863632202
],
[
1.5594522953033447
],
[
1.9186878204345703
],
[
2.098690986633301
],
[
2.098690986633301
],
[
1.8773455619812012
],
[
1.8342939615249634
],
[
1.9221558570861816
],
[
1.898766279220581
],
[
1.8773455619812012
],
[
1.8918116092681885
],
[
1.898766279220581
],
[
1.8342939615249634
],
[
1.9590678215026855
],
[
1.9590678215026855
],
[
1.9221558570861816
],
[
1.8918116092681885
],
[
1.9956612586975098
],
[
2.030341863632202
]
] |
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2CC)n1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
6,
8,
4,
9,
9,
10,
10,
11,
9,
12,
12,
13,
13,
14,
14,
15,
15,
16,
13,
2
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
6,
9,
4,
10,
9,
11,
10,
12,
9,
13,
12,
14,
13,
15,
14,
16,
15,
2,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
2,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
33,
33,
5,
5,
6,
6,
7,
8,
16,
16,
9,
9,
10,
10,
11,
13,
13,
15,
15,
17,
17,
18,
22,
19,
19,
21,
23,
23,
24,
24,
32,
32,
25,
26,
27,
27,
28,
29,
31
],
[
2,
4,
33,
1,
6,
25,
26,
3,
33,
8,
16,
5,
10,
18,
22,
7,
16,
12,
14,
9,
11,
14,
11,
12,
7,
8,
20,
24,
17,
22,
19,
17,
18,
32,
26,
3,
4,
23,
28,
32,
25,
30,
27,
29
]
] |
[
[
2.049436569213867
],
[
2.1778388023376465
],
[
2.022351026535034
],
[
2.049436569213867
],
[
2.1105470657348633
],
[
2.0877649784088135
],
[
2.1186230182647705
],
[
2.1778388023376465
],
[
2.0829355716705322
],
[
2.039842367172241
],
[
2.094770908355713
],
[
2.1105470657348633
],
[
1.7502808570861816
],
[
2.042151927947998
],
[
2.075166940689087
],
[
2.039842367172241
],
[
2.1481966972351074
],
[
1.9265143871307373
],
[
1.8902682065963745
],
[
1.7502808570861816
],
[
1.9265143871307373
],
[
1.9298239946365356
],
[
1.8902682065963745
],
[
1.9298239946365356
],
[
2.094770908355713
],
[
2.1481966972351074
],
[
2.053260087966919
],
[
2.114778995513916
],
[
2.042151927947998
],
[
2.1658153533935547
],
[
2.053260087966919
],
[
2.075166940689087
],
[
2.1658153533935547
],
[
2.0877649784088135
],
[
2.0766654014587402
],
[
2.022351026535034
],
[
2.0829355716705322
],
[
2.114778995513916
],
[
1.9511617422103882
],
[
2.1186230182647705
],
[
2.0766654014587402
],
[
1.9396097660064697
],
[
1.9511617422103882
],
[
1.9396097660064697
]
] |
[
[
0,
1,
2,
3,
3,
4,
6,
7,
6,
8,
4,
9,
10,
11,
9,
12,
12,
13,
14,
15,
15,
16,
13,
2
],
[
1,
0,
3,
2,
4,
3,
7,
6,
8,
6,
9,
4,
11,
10,
12,
9,
13,
12,
15,
14,
16,
15,
2,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
2,
3,
3,
3,
1,
4,
4,
1,
1,
5,
5,
5
] |
[
[
2,
23,
3,
4,
5,
10,
7,
9,
11,
14,
15,
16,
22,
17,
18,
21
],
[
4,
17,
23,
10,
3,
14,
8,
6,
5,
16,
11,
22,
2,
15,
20,
19
]
] |
[
[
2.1105470657348633
],
[
2.0877649784088135
],
[
2.0829355716705322
],
[
2.094770908355713
],
[
2.1105470657348633
],
[
2.075166940689087
],
[
1.9298239946365356
],
[
1.9298239946365356
],
[
2.094770908355713
],
[
2.114778995513916
],
[
2.075166940689087
],
[
2.0877649784088135
],
[
2.0829355716705322
],
[
2.114778995513916
],
[
1.9396097660064697
],
[
1.9396097660064697
]
] |
COc1cc(SC(C)C)c(OC)cc1CCN
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
15,
21,
21,
22,
22,
23,
9,
24,
24,
5,
22,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
15,
22,
21,
23,
22,
24,
9,
5,
24,
12,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
49,
11,
11,
12,
13,
14,
15,
16,
16,
17,
18,
46,
19,
19,
20,
21,
22,
22,
23,
24,
51,
51,
25,
25,
26,
27,
28,
28,
29,
30,
30,
40,
31,
31,
34,
33,
33,
35,
35,
36,
37,
39,
41,
41,
42,
42,
50,
50,
43,
45,
45,
48,
48,
47,
47
],
[
2,
4,
1,
6,
8,
3,
10,
49,
5,
8,
5,
6,
12,
47,
9,
49,
14,
11,
16,
13,
18,
46,
15,
20,
48,
17,
46,
22,
19,
24,
51,
21,
26,
43,
44,
23,
51,
28,
25,
30,
40,
27,
32,
34,
42,
29,
40,
36,
31,
34,
31,
32,
38,
35,
37,
29,
30,
50,
44,
23,
24,
41,
50,
43,
9,
10,
17,
18
]
] |
[
[
1.8859244585037231
],
[
1.9376789331436157
],
[
1.8859244585037231
],
[
2.1341376304626465
],
[
2.0674126148223877
],
[
1.9376789331436157
],
[
2.0932650566101074
],
[
2.1049437522888184
],
[
2.1341376304626465
],
[
2.0815515518188477
],
[
2.0674126148223877
],
[
2.0815515518188477
],
[
2.098294258117676
],
[
2.107574701309204
],
[
2.0932650566101074
],
[
2.084944009780884
],
[
2.0961930751800537
],
[
2.098294258117676
],
[
2.1045684814453125
],
[
2.0961930751800537
],
[
2.1002848148345947
],
[
2.0745270252227783
],
[
2.1045684814453125
],
[
1.9061267375946045
],
[
2.107574701309204
],
[
2.1002848148345947
],
[
2.107455253601074
],
[
2.0584468841552734
],
[
1.9061267375946045
],
[
2.171525001525879
],
[
2.035936117172241
],
[
2.0584468841552734
],
[
2.0995659828186035
],
[
2.1109042167663574
],
[
2.1157774925231934
],
[
2.171525001525879
],
[
2.0756261348724365
],
[
2.0951361656188965
],
[
2.0995659828186035
],
[
2.0787601470947266
],
[
2.1006546020507812
],
[
2.0951361656188965
],
[
2.0482895374298096
],
[
2.1813771724700928
],
[
2.0840742588043213
],
[
2.0787601470947266
],
[
2.102468967437744
],
[
1.9645206928253174
],
[
2.0482895374298096
],
[
2.0534725189208984
],
[
2.1813771724700928
],
[
2.0534725189208984
],
[
1.8919520378112793
],
[
1.9645206928253174
],
[
1.8919520378112793
],
[
2.1006546020507812
],
[
2.102468967437744
],
[
2.1109042167663574
],
[
2.056462526321411
],
[
2.035936117172241
],
[
2.0756261348724365
],
[
2.0840742588043213
],
[
2.1157774925231934
],
[
2.056462526321411
],
[
2.1049437522888184
],
[
2.084944009780884
],
[
2.0745270252227783
],
[
2.107455253601074
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
15,
21,
21,
22,
22,
23,
9,
24,
24,
5,
22,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
15,
22,
21,
23,
22,
24,
9,
5,
24,
12,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
0
] |
[
[
0,
2,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
43,
11,
11,
12,
13,
14,
15,
16,
17,
40,
18,
45,
45,
19,
20,
21,
22,
22,
23,
24,
24,
34,
25,
25,
28,
27,
27,
29,
29,
30,
31,
33,
35,
35,
36,
36,
44,
37,
39,
39,
42,
42,
41
],
[
2,
4,
1,
6,
8,
3,
10,
43,
5,
8,
5,
6,
12,
41,
9,
43,
14,
11,
16,
13,
40,
15,
42,
20,
37,
38,
45,
22,
19,
24,
34,
21,
26,
28,
36,
23,
34,
30,
25,
28,
25,
26,
32,
29,
31,
23,
24,
44,
38,
18,
35,
44,
37,
9,
10,
17
]
] |
[
[
1.8859244585037231
],
[
1.9376789331436157
],
[
1.8859244585037231
],
[
2.1341376304626465
],
[
2.0674126148223877
],
[
1.9376789331436157
],
[
2.0932650566101074
],
[
2.1049437522888184
],
[
2.1341376304626465
],
[
2.0815515518188477
],
[
2.0674126148223877
],
[
2.0815515518188477
],
[
2.098294258117676
],
[
2.107574701309204
],
[
2.0932650566101074
],
[
2.084944009780884
],
[
2.0961930751800537
],
[
2.098294258117676
],
[
2.1045684814453125
],
[
2.0961930751800537
],
[
2.0745270252227783
],
[
2.1045684814453125
],
[
2.107574701309204
],
[
2.0995659828186035
],
[
2.1109042167663574
],
[
2.1157774925231934
],
[
2.0756261348724365
],
[
2.0951361656188965
],
[
2.0995659828186035
],
[
2.0787601470947266
],
[
2.1006546020507812
],
[
2.0951361656188965
],
[
2.0482895374298096
],
[
2.1813771724700928
],
[
2.0840742588043213
],
[
2.0787601470947266
],
[
2.102468967437744
],
[
1.9645206928253174
],
[
2.0482895374298096
],
[
2.0534725189208984
],
[
2.1813771724700928
],
[
2.0534725189208984
],
[
1.8919520378112793
],
[
1.9645206928253174
],
[
1.8919520378112793
],
[
2.1006546020507812
],
[
2.102468967437744
],
[
2.1109042167663574
],
[
2.056462526321411
],
[
2.0756261348724365
],
[
2.0840742588043213
],
[
2.1157774925231934
],
[
2.056462526321411
],
[
2.1049437522888184
],
[
2.084944009780884
],
[
2.0745270252227783
]
] |
CON=C(N)c1cccc(COc2ccc(C(N)=NOC)cc2Cl)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
14,
16,
14,
17,
10,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
2,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
13,
7,
25,
20,
33,
28,
26,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
14,
17,
14,
18,
10,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
2,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
7,
13,
20,
25,
28,
33,
9,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
54,
54,
5,
5,
6,
7,
8,
9,
10,
11,
12,
12,
13,
14,
67,
67,
15,
15,
16,
16,
17,
18,
18,
73,
73,
19,
19,
20,
20,
34,
34,
21,
21,
24,
24,
23,
23,
66,
66,
25,
25,
26,
26,
26,
27,
27,
29,
29,
29,
31,
31,
31,
33,
33,
33,
35,
35,
38,
38,
37,
37,
39,
39,
40,
69,
69,
41,
41,
42,
43,
44,
45,
46,
47,
48,
48,
68,
68,
49,
50,
50,
72,
72,
51,
51,
53,
53,
55,
55,
56,
71,
57,
57,
58,
59,
60,
61,
62,
63,
64,
70,
70,
65
],
[
2,
4,
54,
1,
6,
56,
71,
3,
54,
8,
5,
10,
7,
12,
9,
14,
67,
11,
16,
25,
26,
13,
67,
18,
73,
15,
20,
34,
51,
52,
17,
73,
22,
24,
36,
38,
19,
34,
66,
26,
21,
24,
13,
14,
21,
22,
28,
30,
32,
66,
25,
27,
30,
32,
27,
28,
32,
27,
28,
30,
19,
20,
40,
69,
35,
38,
35,
36,
42,
49,
50,
39,
69,
44,
41,
46,
43,
48,
45,
68,
50,
39,
40,
47,
72,
52,
17,
18,
68,
49,
72,
51,
3,
4,
58,
65,
55,
71,
60,
57,
62,
59,
64,
61,
70,
55,
56,
63
]
] |
[
[
1.9383363723754883
],
[
2.021768093109131
],
[
2.13080096244812
],
[
1.9383363723754883
],
[
1.9370861053466797
],
[
2.135672092437744
],
[
2.1351099014282227
],
[
2.021768093109131
],
[
2.1305923461914062
],
[
1.9283643960952759
],
[
1.9370861053466797
],
[
1.9489564895629883
],
[
1.9283643960952759
],
[
2.1612226963043213
],
[
1.9489564895629883
],
[
2.1119842529296875
],
[
2.1339569091796875
],
[
2.1612226963043213
],
[
2.1350042819976807
],
[
2.1380982398986816
],
[
2.1019229888916016
],
[
2.1119842529296875
],
[
2.0309133529663086
],
[
2.1014280319213867
],
[
2.0683557987213135
],
[
2.1350042819976807
],
[
2.0870420932769775
],
[
2.0774855613708496
],
[
2.0836689472198486
],
[
2.101440906524658
],
[
2.1014280319213867
],
[
2.11334228515625
],
[
2.1127383708953857
],
[
2.0714874267578125
],
[
2.099529266357422
],
[
2.0938217639923096
],
[
2.0870420932769775
],
[
2.1186118125915527
],
[
2.1380982398986816
],
[
2.0424180030822754
],
[
2.1127383708953857
],
[
2.0893542766571045
],
[
2.1339569091796875
],
[
2.0309133529663086
],
[
2.0714874267578125
],
[
2.0893542766571045
],
[
1.8969060182571411
],
[
1.8601826429367065
],
[
1.8172680139541626
],
[
2.1019229888916016
],
[
2.0424180030822754
],
[
1.8969060182571411
],
[
2.127281665802002
],
[
1.867636799812317
],
[
1.8601826429367065
],
[
2.127281665802002
],
[
1.871302843093872
],
[
1.8172680139541626
],
[
1.867636799812317
],
[
1.871302843093872
],
[
2.0774855613708496
],
[
2.1186118125915527
],
[
2.0904452800750732
],
[
2.1006569862365723
],
[
2.099529266357422
],
[
2.089803457260132
],
[
2.0938217639923096
],
[
2.089803457260132
],
[
2.09543514251709
],
[
2.0950450897216797
],
[
2.0970659255981445
],
[
2.0904452800750732
],
[
2.0920560359954834
],
[
2.0947976112365723
],
[
2.09543514251709
],
[
2.094341993331909
],
[
2.0947976112365723
],
[
2.0946450233459473
],
[
2.094341993331909
],
[
2.0950450897216797
],
[
2.0910484790802
],
[
2.1006569862365723
],
[
2.0920560359954834
],
[
2.0946450233459473
],
[
2.0836689472198486
],
[
2.0980474948883057
],
[
2.0683557987213135
],
[
2.11334228515625
],
[
2.0970659255981445
],
[
2.0910484790802
],
[
2.101440906524658
],
[
2.0980474948883057
],
[
2.13080096244812
],
[
2.1305923461914062
],
[
2.140078544616699
],
[
2.1402385234832764
],
[
2.135672092437744
],
[
2.012378692626953
],
[
2.0978455543518066
],
[
2.140078544616699
],
[
2.078110694885254
],
[
2.0978455543518066
],
[
2.0976674556732178
],
[
2.078110694885254
],
[
2.1402385234832764
],
[
2.1351099014282227
],
[
2.012378692626953
],
[
2.0976674556732178
]
] |
[
[
0,
1,
3,
4,
4,
5,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
14,
16,
14,
17,
10,
18,
18,
19,
18,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
13,
7,
25,
20,
33,
28,
26,
9
],
[
1,
0,
4,
3,
5,
4,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
14,
17,
14,
18,
10,
19,
18,
20,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
7,
13,
20,
25,
28,
33,
9,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
3,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
5,
5,
5,
5,
5,
5
] |
[
[
2,
5,
6,
57,
57,
7,
8,
8,
9,
10,
10,
63,
63,
11,
11,
12,
12,
26,
26,
13,
13,
16,
16,
15,
15,
56,
17,
17,
18,
18,
18,
19,
19,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
27,
30,
30,
29,
29,
31,
31,
32,
59,
59,
33,
33,
34,
35,
36,
37,
38,
39,
40,
40,
58,
58,
41,
42,
42,
62,
62,
43,
43,
45,
45,
46,
61,
47,
48,
49,
50,
51,
52,
53,
54,
60,
55
],
[
4,
3,
8,
17,
18,
57,
10,
63,
7,
12,
26,
43,
44,
9,
63,
14,
16,
28,
30,
11,
26,
56,
18,
13,
16,
6,
13,
14,
20,
22,
24,
56,
17,
19,
22,
24,
19,
20,
24,
19,
20,
22,
11,
12,
32,
59,
27,
30,
27,
28,
34,
41,
42,
31,
59,
36,
33,
38,
35,
40,
37,
58,
42,
31,
32,
39,
62,
44,
9,
10,
58,
41,
62,
43,
48,
55,
61,
50,
47,
52,
49,
54,
51,
60,
46,
53
]
] |
[
[
1.9283643960952759
],
[
1.9283643960952759
],
[
2.1350042819976807
],
[
2.1380982398986816
],
[
2.1019229888916016
],
[
2.0309133529663086
],
[
2.1014280319213867
],
[
2.0683557987213135
],
[
2.1350042819976807
],
[
2.0870420932769775
],
[
2.0774855613708496
],
[
2.0836689472198486
],
[
2.101440906524658
],
[
2.1014280319213867
],
[
2.11334228515625
],
[
2.1127383708953857
],
[
2.0714874267578125
],
[
2.099529266357422
],
[
2.0938217639923096
],
[
2.0870420932769775
],
[
2.1186118125915527
],
[
2.1380982398986816
],
[
2.0424180030822754
],
[
2.1127383708953857
],
[
2.0893542766571045
],
[
2.0309133529663086
],
[
2.0714874267578125
],
[
2.0893542766571045
],
[
1.8969060182571411
],
[
1.8601826429367065
],
[
1.8172680139541626
],
[
2.1019229888916016
],
[
2.0424180030822754
],
[
1.8969060182571411
],
[
2.127281665802002
],
[
1.867636799812317
],
[
1.8601826429367065
],
[
2.127281665802002
],
[
1.871302843093872
],
[
1.8172680139541626
],
[
1.867636799812317
],
[
1.871302843093872
],
[
2.0774855613708496
],
[
2.1186118125915527
],
[
2.0904452800750732
],
[
2.1006569862365723
],
[
2.099529266357422
],
[
2.089803457260132
],
[
2.0938217639923096
],
[
2.089803457260132
],
[
2.09543514251709
],
[
2.0950450897216797
],
[
2.0970659255981445
],
[
2.0904452800750732
],
[
2.0920560359954834
],
[
2.0947976112365723
],
[
2.09543514251709
],
[
2.094341993331909
],
[
2.0947976112365723
],
[
2.0946450233459473
],
[
2.094341993331909
],
[
2.0950450897216797
],
[
2.0910484790802
],
[
2.1006569862365723
],
[
2.0920560359954834
],
[
2.0946450233459473
],
[
2.0836689472198486
],
[
2.0980474948883057
],
[
2.0683557987213135
],
[
2.11334228515625
],
[
2.0970659255981445
],
[
2.0910484790802
],
[
2.101440906524658
],
[
2.0980474948883057
],
[
2.140078544616699
],
[
2.1402385234832764
],
[
2.012378692626953
],
[
2.0978455543518066
],
[
2.140078544616699
],
[
2.078110694885254
],
[
2.0978455543518066
],
[
2.0976674556732178
],
[
2.078110694885254
],
[
2.1402385234832764
],
[
2.012378692626953
],
[
2.0976674556732178
]
] |
CCN(CCCNc1cc2c(c(N)c1S(=O)(=O)O)C(=O)c1ccccc1C2=O)c1ccccc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
13,
20,
20,
21,
5,
22,
22,
23,
23,
2,
20,
7,
19,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
13,
21,
20,
22,
5,
23,
22,
2,
23,
7,
20,
15,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
47,
5,
5,
6,
7,
8,
8,
9,
10,
42,
11,
11,
12,
12,
13,
14,
14,
49,
49,
15,
15,
18,
17,
17,
19,
19,
20,
20,
21,
24,
24,
23,
23,
25,
25,
26,
38,
38,
27,
27,
28,
28,
29,
30,
51,
31,
31,
32,
33,
34,
35,
36,
50,
50,
37,
48,
48,
39,
39,
41,
41,
43,
43,
44,
46,
46,
45
],
[
2,
4,
47,
1,
6,
45,
3,
47,
8,
5,
10,
42,
7,
12,
44,
9,
42,
14,
49,
11,
16,
18,
39,
40,
13,
49,
20,
15,
18,
15,
16,
22,
24,
19,
26,
38,
21,
24,
21,
22,
28,
48,
40,
25,
38,
30,
51,
27,
32,
37,
29,
51,
34,
31,
36,
33,
50,
29,
30,
35,
13,
14,
25,
26,
48,
39,
9,
10,
46,
3,
4,
43
]
] |
[
[
2.0397489070892334
],
[
2.2008183002471924
],
[
2.0019538402557373
],
[
2.0397489070892334
],
[
2.098198652267456
],
[
2.1074094772338867
],
[
2.2008183002471924
],
[
2.080383777618408
],
[
2.107267379760742
],
[
2.098198652267456
],
[
2.1054580211639404
],
[
2.0727379322052
],
[
2.107267379760742
],
[
1.9412717819213867
],
[
2.100287914276123
],
[
2.1054580211639404
],
[
2.1044225692749023
],
[
2.0577855110168457
],
[
2.0539751052856445
],
[
1.9412717819213867
],
[
2.170670509338379
],
[
2.0364859104156494
],
[
2.010507583618164
],
[
2.1389217376708984
],
[
2.0577855110168457
],
[
2.16947603225708
],
[
2.2059991359710693
],
[
2.170670509338379
],
[
2.0759987831115723
],
[
2.0364859104156494
],
[
2.0759987831115723
],
[
2.109434127807617
],
[
2.0094408988952637
],
[
2.2059991359710693
],
[
2.0240671634674072
],
[
2.069704294204712
],
[
2.109434127807617
],
[
2.1639630794525146
],
[
2.0094408988952637
],
[
2.1639630794525146
],
[
2.2690088748931885
],
[
2.010507583618164
],
[
2.1333112716674805
],
[
2.0240671634674072
],
[
2.189389705657959
],
[
2.270932197570801
],
[
2.1625797748565674
],
[
2.2690088748931885
],
[
1.8546829223632812
],
[
1.9303418397903442
],
[
2.270932197570801
],
[
1.8476827144622803
],
[
1.9285407066345215
],
[
1.8546829223632812
],
[
1.8630948066711426
],
[
1.9285407066345215
],
[
1.9303418397903442
],
[
2.1625797748565674
],
[
1.8476827144622803
],
[
1.8630948066711426
],
[
2.0539751052856445
],
[
2.16947603225708
],
[
2.069704294204712
],
[
2.189389705657959
],
[
2.1389217376708984
],
[
2.1333112716674805
],
[
2.0727379322052
],
[
2.1044225692749023
],
[
2.1074094772338867
],
[
2.0019538402557373
],
[
2.080383777618408
],
[
2.100287914276123
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
11,
13,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
13,
20,
20,
21,
5,
22,
22,
23,
23,
2,
20,
7,
19,
15
],
[
1,
0,
3,
2,
4,
3,
5,
4,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
11,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
13,
21,
20,
22,
5,
23,
22,
2,
23,
7,
20,
15,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3,
4,
4,
4,
4,
4,
4,
3,
3,
1,
1
] |
[
[
2,
39,
3,
4,
5,
6,
7,
34,
8,
8,
41,
41,
9,
12,
11,
11,
13,
13,
14,
14,
15,
18,
17,
17,
19,
19,
30,
30,
20,
20,
22,
43,
23,
23,
24,
25,
26,
27,
28,
42,
42,
29,
40,
31,
33,
33,
35,
36,
38,
37
],
[
4,
37,
39,
6,
3,
34,
5,
36,
10,
12,
31,
32,
41,
14,
9,
12,
9,
10,
16,
18,
13,
30,
15,
18,
15,
16,
40,
32,
22,
43,
24,
29,
21,
43,
26,
23,
28,
25,
42,
21,
22,
27,
8,
19,
40,
31,
7,
38,
2,
35
]
] |
[
[
2.098198652267456
],
[
2.1074094772338867
],
[
2.080383777618408
],
[
2.107267379760742
],
[
2.098198652267456
],
[
2.0727379322052
],
[
2.107267379760742
],
[
2.100287914276123
],
[
2.170670509338379
],
[
2.0364859104156494
],
[
2.010507583618164
],
[
2.1389217376708984
],
[
2.16947603225708
],
[
2.2059991359710693
],
[
2.170670509338379
],
[
2.0759987831115723
],
[
2.0364859104156494
],
[
2.0759987831115723
],
[
2.109434127807617
],
[
2.0094408988952637
],
[
2.2059991359710693
],
[
2.069704294204712
],
[
2.109434127807617
],
[
2.1639630794525146
],
[
2.0094408988952637
],
[
2.1639630794525146
],
[
2.010507583618164
],
[
2.1333112716674805
],
[
2.270932197570801
],
[
2.1625797748565674
],
[
1.8546829223632812
],
[
1.9303418397903442
],
[
2.270932197570801
],
[
1.8476827144622803
],
[
1.9285407066345215
],
[
1.8546829223632812
],
[
1.8630948066711426
],
[
1.9285407066345215
],
[
1.9303418397903442
],
[
2.1625797748565674
],
[
1.8476827144622803
],
[
1.8630948066711426
],
[
2.16947603225708
],
[
2.069704294204712
],
[
2.1389217376708984
],
[
2.1333112716674805
],
[
2.0727379322052
],
[
2.1074094772338867
],
[
2.080383777618408
],
[
2.100287914276123
]
] |
COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccoc3)C2=O)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
12,
24,
7,
1,
24,
9,
23,
14,
23,
18
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
12,
1,
7,
9,
24,
14,
23,
18,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
49,
49,
3,
3,
4,
5,
6,
7,
8,
8,
9,
12,
12,
11,
11,
48,
48,
13,
13,
14,
15,
15,
16,
16,
17,
18,
51,
19,
19,
20,
21,
22,
22,
23,
24,
46,
25,
25,
26,
26,
27,
28,
53,
53,
29,
29,
30,
31,
32,
33,
34,
34,
35,
36,
55,
55,
37,
37,
38,
39,
40,
41,
42,
43,
44,
44,
52,
52,
54,
54,
45,
50,
50,
47,
47
],
[
2,
49,
4,
13,
14,
1,
49,
6,
3,
8,
5,
10,
12,
7,
48,
14,
9,
12,
1,
2,
9,
10,
16,
48,
13,
18,
51,
15,
20,
47,
17,
51,
22,
19,
24,
46,
21,
26,
50,
23,
46,
28,
53,
25,
30,
54,
45,
27,
53,
32,
29,
34,
31,
36,
55,
33,
38,
52,
45,
35,
55,
40,
37,
42,
39,
44,
41,
52,
54,
27,
28,
35,
36,
43,
17,
18,
23,
24
]
] |
[
[
2.0687379837036133
],
[
2.092569351196289
],
[
2.091278076171875
],
[
2.0544934272766113
],
[
2.115208864212036
],
[
2.0687379837036133
],
[
2.121851682662964
],
[
2.086021661758423
],
[
2.091278076171875
],
[
2.0923452377319336
],
[
2.086021661758423
],
[
2.0672779083251953
],
[
2.120328903198242
],
[
2.0923452377319336
],
[
2.0544934272766113
],
[
2.1133646965026855
],
[
2.0672779083251953
],
[
2.0954995155334473
],
[
2.092569351196289
],
[
2.121851682662964
],
[
2.120328903198242
],
[
2.0954995155334473
],
[
1.9689807891845703
],
[
2.115208864212036
],
[
2.1133646965026855
],
[
1.986405372619629
],
[
1.9556132555007935
],
[
1.9689807891845703
],
[
1.8337771892547607
],
[
1.7847813367843628
],
[
1.986405372619629
],
[
1.8226654529571533
],
[
1.846022367477417
],
[
1.8337771892547607
],
[
1.9400639533996582
],
[
1.7899284362792969
],
[
1.846022367477417
],
[
2.1455318927764893
],
[
1.7847813367843628
],
[
1.9400639533996582
],
[
1.9000338315963745
],
[
2.123061180114746
],
[
2.092050313949585
],
[
2.1455318927764893
],
[
2.123605251312256
],
[
2.082939624786377
],
[
2.1632463932037354
],
[
2.123061180114746
],
[
2.063707113265991
],
[
2.093714714050293
],
[
2.123605251312256
],
[
2.0978240966796875
],
[
2.093714714050293
],
[
2.1158053874969482
],
[
2.102048397064209
],
[
2.0978240966796875
],
[
2.1807615756988525
],
[
2.082939624786377
],
[
2.03696870803833
],
[
2.1158053874969482
],
[
2.0652618408203125
],
[
2.0249452590942383
],
[
2.1807615756988525
],
[
2.162693738937378
],
[
2.0249452590942383
],
[
2.0953967571258545
],
[
2.162693738937378
],
[
2.1632463932037354
],
[
2.03696870803833
],
[
2.092050313949585
],
[
2.063707113265991
],
[
2.102048397064209
],
[
2.0652618408203125
],
[
2.0953967571258545
],
[
1.9556132555007935
],
[
1.8226654529571533
],
[
1.7899284362792969
],
[
1.9000338315963745
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
9,
10,
10,
11,
11,
12,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
12,
24,
7,
1,
24,
9,
23,
14,
23,
18
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
10,
9,
11,
10,
12,
11,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
12,
1,
7,
9,
24,
14,
23,
18,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
3,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
2
] |
[
[
0,
0,
2,
41,
3,
3,
4,
5,
6,
7,
8,
8,
9,
12,
11,
11,
40,
40,
13,
13,
14,
43,
15,
16,
17,
18,
19,
38,
20,
45,
45,
21,
22,
23,
24,
25,
26,
26,
27,
28,
47,
47,
29,
29,
30,
31,
32,
33,
34,
35,
36,
36,
44,
46,
46,
37,
42,
39
],
[
2,
41,
4,
13,
1,
41,
6,
3,
8,
5,
10,
12,
7,
40,
9,
12,
1,
2,
9,
10,
16,
39,
43,
18,
15,
38,
17,
42,
22,
46,
37,
45,
24,
21,
26,
23,
28,
47,
25,
30,
44,
37,
27,
47,
32,
29,
34,
31,
36,
33,
44,
46,
20,
27,
28,
35,
14,
19
]
] |
[
[
2.0687379837036133
],
[
2.092569351196289
],
[
2.091278076171875
],
[
2.0544934272766113
],
[
2.0687379837036133
],
[
2.121851682662964
],
[
2.086021661758423
],
[
2.091278076171875
],
[
2.0923452377319336
],
[
2.086021661758423
],
[
2.0672779083251953
],
[
2.120328903198242
],
[
2.0923452377319336
],
[
2.0544934272766113
],
[
2.0672779083251953
],
[
2.0954995155334473
],
[
2.092569351196289
],
[
2.121851682662964
],
[
2.120328903198242
],
[
2.0954995155334473
],
[
1.8337771892547607
],
[
1.7847813367843628
],
[
1.8226654529571533
],
[
1.846022367477417
],
[
1.8337771892547607
],
[
1.7899284362792969
],
[
1.846022367477417
],
[
1.7847813367843628
],
[
2.123605251312256
],
[
2.082939624786377
],
[
2.1632463932037354
],
[
2.063707113265991
],
[
2.093714714050293
],
[
2.123605251312256
],
[
2.0978240966796875
],
[
2.093714714050293
],
[
2.1158053874969482
],
[
2.102048397064209
],
[
2.0978240966796875
],
[
2.1807615756988525
],
[
2.082939624786377
],
[
2.03696870803833
],
[
2.1158053874969482
],
[
2.0652618408203125
],
[
2.0249452590942383
],
[
2.1807615756988525
],
[
2.162693738937378
],
[
2.0249452590942383
],
[
2.0953967571258545
],
[
2.162693738937378
],
[
2.1632463932037354
],
[
2.03696870803833
],
[
2.063707113265991
],
[
2.102048397064209
],
[
2.0652618408203125
],
[
2.0953967571258545
],
[
1.8226654529571533
],
[
1.7899284362792969
]
] |
Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
7,
9,
4,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
11,
18,
18,
1,
16,
10
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
7,
10,
4,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
11,
1,
18,
10,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
]
] |
[
[
0,
0,
0,
4,
37,
3,
3,
3,
5,
5,
5,
6,
6,
6,
7,
10,
18,
18,
9,
9,
9,
11,
11,
11,
12,
12,
13,
15,
15,
17,
17,
19,
19,
19,
20,
20,
39,
39,
21,
21,
22,
34,
23,
23,
24,
25,
26,
26,
27,
30,
30,
29,
29,
38,
38,
31,
31,
33,
33,
36,
36,
36,
35,
35
],
[
2,
4,
37,
6,
35,
1,
4,
37,
1,
2,
37,
8,
10,
18,
5,
12,
20,
39,
7,
10,
18,
7,
8,
18,
14,
16,
11,
13,
16,
13,
14,
7,
8,
10,
22,
34,
31,
32,
19,
39,
24,
36,
21,
34,
26,
23,
28,
30,
25,
38,
32,
27,
30,
19,
20,
27,
28,
38,
31,
1,
2,
4,
21,
22
]
] |
[
[
1.8825063705444336
],
[
1.9968037605285645
],
[
1.9386295080184937
],
[
1.9760873317718506
],
[
2.011204481124878
],
[
1.8825063705444336
],
[
1.8976877927780151
],
[
1.8427412509918213
],
[
1.9968037605285645
],
[
1.8976877927780151
],
[
1.8986976146697998
],
[
1.8787561655044556
],
[
1.8913319110870361
],
[
1.948401927947998
],
[
1.9760873317718506
],
[
1.9605656862258911
],
[
2.0785531997680664
],
[
2.1648762226104736
],
[
1.8787561655044556
],
[
1.9360339641571045
],
[
1.866126537322998
],
[
1.8913319110870361
],
[
1.9360339641571045
],
[
1.9425301551818848
],
[
2.200545310974121
],
[
1.9687820672988892
],
[
1.9605656862258911
],
[
2.200545310974121
],
[
2.11334228515625
],
[
1.9687820672988892
],
[
2.11334228515625
],
[
1.948401927947998
],
[
1.866126537322998
],
[
1.9425301551818848
],
[
2.1287832260131836
],
[
2.1713075637817383
],
[
2.10426664352417
],
[
2.1188340187072754
],
[
2.0785531997680664
],
[
2.039658546447754
],
[
2.0989649295806885
],
[
2.011204481124878
],
[
2.1287832260131836
],
[
1.9829000234603882
],
[
2.0856001377105713
],
[
2.0989649295806885
],
[
2.0340495109558105
],
[
2.1042020320892334
],
[
2.0856001377105713
],
[
2.10426664352417
],
[
2.059420108795166
],
[
2.0340495109558105
],
[
2.1449086666107178
],
[
2.1648762226104736
],
[
2.039658546447754
],
[
2.1042020320892334
],
[
2.1449086666107178
],
[
2.1188340187072754
],
[
2.059420108795166
],
[
1.9386295080184937
],
[
1.8427412509918213
],
[
1.8986976146697998
],
[
2.1713075637817383
],
[
1.9829000234603882
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
7,
9,
4,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
11,
18,
18,
1,
16,
10
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
7,
10,
4,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
11,
1,
18,
10,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0,
4,
37,
3,
3,
3,
5,
5,
5,
6,
6,
6,
7,
10,
18,
18,
9,
9,
9,
11,
11,
11,
12,
12,
13,
15,
15,
17,
17,
19,
19,
19,
20,
20,
39,
39,
21,
21,
22,
34,
23,
23,
24,
25,
26,
26,
27,
30,
30,
29,
29,
38,
38,
31,
31,
33,
33,
36,
36,
36,
35,
35
],
[
2,
4,
37,
6,
35,
1,
4,
37,
1,
2,
37,
8,
10,
18,
5,
12,
20,
39,
7,
10,
18,
7,
8,
18,
14,
16,
11,
13,
16,
13,
14,
7,
8,
10,
22,
34,
31,
32,
19,
39,
24,
36,
21,
34,
26,
23,
28,
30,
25,
38,
32,
27,
30,
19,
20,
27,
28,
38,
31,
1,
2,
4,
21,
22
]
] |
[
[
1.8825063705444336
],
[
1.9968037605285645
],
[
1.9386295080184937
],
[
1.9760873317718506
],
[
2.011204481124878
],
[
1.8825063705444336
],
[
1.8976877927780151
],
[
1.8427412509918213
],
[
1.9968037605285645
],
[
1.8976877927780151
],
[
1.8986976146697998
],
[
1.8787561655044556
],
[
1.8913319110870361
],
[
1.948401927947998
],
[
1.9760873317718506
],
[
1.9605656862258911
],
[
2.0785531997680664
],
[
2.1648762226104736
],
[
1.8787561655044556
],
[
1.9360339641571045
],
[
1.866126537322998
],
[
1.8913319110870361
],
[
1.9360339641571045
],
[
1.9425301551818848
],
[
2.200545310974121
],
[
1.9687820672988892
],
[
1.9605656862258911
],
[
2.200545310974121
],
[
2.11334228515625
],
[
1.9687820672988892
],
[
2.11334228515625
],
[
1.948401927947998
],
[
1.866126537322998
],
[
1.9425301551818848
],
[
2.1287832260131836
],
[
2.1713075637817383
],
[
2.10426664352417
],
[
2.1188340187072754
],
[
2.0785531997680664
],
[
2.039658546447754
],
[
2.0989649295806885
],
[
2.011204481124878
],
[
2.1287832260131836
],
[
1.9829000234603882
],
[
2.0856001377105713
],
[
2.0989649295806885
],
[
2.0340495109558105
],
[
2.1042020320892334
],
[
2.0856001377105713
],
[
2.10426664352417
],
[
2.059420108795166
],
[
2.0340495109558105
],
[
2.1449086666107178
],
[
2.1648762226104736
],
[
2.039658546447754
],
[
2.1042020320892334
],
[
2.1449086666107178
],
[
2.1188340187072754
],
[
2.059420108795166
],
[
1.9386295080184937
],
[
1.8427412509918213
],
[
1.8986976146697998
],
[
2.1713075637817383
],
[
1.9829000234603882
]
] |
CC1(C)CC(O)(CC(=O)O)c2c(ccc(Cl)c2Cl)O1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
8,
17,
17,
18,
18,
19,
1,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
19,
3,
25,
20,
18,
5,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
8,
18,
17,
19,
18,
20,
1,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
3,
19,
20,
25,
5,
18,
11,
16
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
38,
38,
3,
3,
4,
4,
5,
6,
51,
7,
7,
8,
8,
9,
10,
55,
55,
11,
11,
12,
13,
14,
14,
15,
16,
16,
32,
17,
17,
20,
20,
19,
19,
21,
21,
22,
57,
23,
23,
24,
25,
26,
27,
28,
29,
30,
56,
56,
31,
33,
33,
34,
34,
54,
54,
35,
36,
50,
50,
37,
37,
39,
39,
40,
53,
41,
41,
42,
43,
44,
45,
46,
47,
48,
52,
52,
49
],
[
2,
38,
4,
40,
53,
1,
38,
6,
51,
3,
8,
37,
5,
51,
10,
55,
7,
12,
35,
36,
9,
55,
14,
11,
16,
32,
13,
18,
20,
34,
15,
32,
22,
57,
17,
20,
17,
18,
24,
31,
21,
57,
26,
23,
28,
25,
30,
27,
56,
21,
22,
29,
15,
16,
54,
36,
9,
10,
33,
50,
5,
6,
54,
35,
1,
2,
42,
49,
39,
53,
44,
41,
46,
43,
48,
45,
52,
39,
40,
47
]
] |
[
[
2.2036614418029785
],
[
2.124316453933716
],
[
2.2249484062194824
],
[
1.9638694524765015
],
[
1.9546606540679932
],
[
2.2036614418029785
],
[
1.9551090002059937
],
[
2.100533962249756
],
[
2.1536307334899902
],
[
2.2249484062194824
],
[
1.9141147136688232
],
[
1.5743978023529053
],
[
2.100533962249756
],
[
2.0289723873138428
],
[
2.1964833736419678
],
[
2.0114712715148926
],
[
1.9141147136688232
],
[
2.0907399654388428
],
[
2.1314711570739746
],
[
1.8957799673080444
],
[
2.1964833736419678
],
[
2.075197696685791
],
[
2.095987319946289
],
[
2.0907399654388428
],
[
2.1014294624328613
],
[
2.1169638633728027
],
[
2.095987319946289
],
[
2.050664186477661
],
[
2.075958490371704
],
[
2.0554256439208984
],
[
2.1014294624328613
],
[
2.063615083694458
],
[
2.0520970821380615
],
[
2.1695728302001953
],
[
2.050664186477661
],
[
2.156522274017334
],
[
2.075958490371704
],
[
2.156522274017334
],
[
1.9495751857757568
],
[
1.9527274370193481
],
[
2.0520970821380615
],
[
2.0470266342163086
],
[
1.955899953842163
],
[
1.9495751857757568
],
[
1.973157286643982
],
[
1.955899953842163
],
[
1.9570785760879517
],
[
1.973157286643982
],
[
1.9527274370193481
],
[
2.1695728302001953
],
[
2.0470266342163086
],
[
1.9570785760879517
],
[
2.1169638633728027
],
[
2.063615083694458
],
[
2.1314711570739746
],
[
2.2559092044830322
],
[
2.0114712715148926
],
[
2.075197696685791
],
[
2.0554256439208984
],
[
1.5743978023529053
],
[
2.1536307334899902
],
[
2.0289723873138428
],
[
1.8957799673080444
],
[
2.2559092044830322
],
[
2.124316453933716
],
[
1.9551090002059937
],
[
1.9843076467514038
],
[
1.9651808738708496
],
[
1.9638694524765015
],
[
1.9393031597137451
],
[
1.9555408954620361
],
[
1.9843076467514038
],
[
1.9457261562347412
],
[
1.9555408954620361
],
[
1.9446325302124023
],
[
1.9457261562347412
],
[
1.9651808738708496
],
[
1.9546606540679932
],
[
1.9393031597137451
],
[
1.9446325302124023
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
8,
17,
17,
18,
18,
19,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
19,
3,
25,
20,
18,
5,
16,
11
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
8,
18,
17,
19,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
3,
19,
20,
25,
5,
18,
11,
16
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
3,
4,
4,
4,
4,
4,
4,
2,
2,
2,
5,
5,
5,
5,
5,
5
] |
[
[
2,
41,
3,
4,
4,
5,
6,
45,
45,
7,
7,
8,
9,
10,
11,
24,
14,
47,
15,
16,
17,
18,
19,
20,
21,
22,
46,
23,
25,
26,
26,
44,
44,
27,
28,
40,
29,
29,
30,
43,
31,
32,
33,
34,
35,
36,
37,
38,
42,
39
],
[
4,
29,
41,
6,
45,
3,
8,
27,
28,
5,
45,
10,
7,
24,
9,
26,
16,
23,
47,
18,
15,
20,
17,
22,
19,
46,
14,
21,
11,
44,
28,
5,
6,
25,
40,
2,
44,
27,
32,
39,
43,
34,
31,
36,
33,
38,
35,
42,
30,
37
]
] |
[
[
1.9141147136688232
],
[
1.5743978023529053
],
[
2.0289723873138428
],
[
2.1964833736419678
],
[
2.0114712715148926
],
[
1.9141147136688232
],
[
2.0907399654388428
],
[
2.1314711570739746
],
[
1.8957799673080444
],
[
2.1964833736419678
],
[
2.075197696685791
],
[
2.095987319946289
],
[
2.0907399654388428
],
[
2.1169638633728027
],
[
2.095987319946289
],
[
2.0554256439208984
],
[
1.9495751857757568
],
[
1.9527274370193481
],
[
2.0470266342163086
],
[
1.955899953842163
],
[
1.9495751857757568
],
[
1.973157286643982
],
[
1.955899953842163
],
[
1.9570785760879517
],
[
1.973157286643982
],
[
1.9527274370193481
],
[
2.0470266342163086
],
[
1.9570785760879517
],
[
2.1169638633728027
],
[
2.1314711570739746
],
[
2.2559092044830322
],
[
2.0114712715148926
],
[
2.075197696685791
],
[
2.0554256439208984
],
[
1.5743978023529053
],
[
2.0289723873138428
],
[
1.8957799673080444
],
[
2.2559092044830322
],
[
1.9843076467514038
],
[
1.9651808738708496
],
[
1.9393031597137451
],
[
1.9555408954620361
],
[
1.9843076467514038
],
[
1.9457261562347412
],
[
1.9555408954620361
],
[
1.9446325302124023
],
[
1.9457261562347412
],
[
1.9651808738708496
],
[
1.9393031597137451
],
[
1.9446325302124023
]
] |
O=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
4,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
12,
15,
15,
16,
16,
17,
14,
2,
13,
7,
17,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
4,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
12,
16,
15,
17,
16,
2,
14,
7,
13,
11,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
2,
2,
3,
4,
35,
5,
5,
6,
6,
7,
8,
12,
12,
9,
9,
11,
13,
13,
14,
37,
37,
15,
15,
16,
16,
17,
20,
20,
19,
19,
21,
21,
22,
22,
39,
23,
23,
24,
24,
28,
36,
36,
25,
25,
26,
34,
34,
27,
27,
29,
29,
30,
31,
32,
38,
38,
33
],
[
2,
4,
35,
1,
6,
27,
3,
35,
8,
12,
5,
10,
14,
37,
7,
12,
9,
7,
8,
16,
25,
26,
13,
37,
18,
20,
15,
22,
39,
17,
20,
17,
18,
24,
28,
33,
21,
39,
36,
26,
30,
13,
14,
23,
28,
34,
3,
4,
36,
25,
23,
24,
32,
29,
38,
21,
22,
31
]
] |
[
[
2.0360734462738037
],
[
2.2045745849609375
],
[
2.003994941711426
],
[
2.0360734462738037
],
[
2.094245672225952
],
[
2.1148555278778076
],
[
2.2045745849609375
],
[
2.0745797157287598
],
[
2.004085063934326
],
[
2.139692783355713
],
[
2.094245672225952
],
[
1.9476141929626465
],
[
2.1271965503692627
],
[
2.0352509021759033
],
[
2.004085063934326
],
[
2.137023448944092
],
[
1.9476141929626465
],
[
2.139692783355713
],
[
2.137023448944092
],
[
2.100369691848755
],
[
2.037203311920166
],
[
2.1069023609161377
],
[
2.1271965503692627
],
[
2.1206600666046143
],
[
2.0495479106903076
],
[
2.1078553199768066
],
[
2.100369691848755
],
[
2.086613178253174
],
[
2.2777156829833984
],
[
2.0495479106903076
],
[
2.1257433891296387
],
[
2.1078553199768066
],
[
2.1257433891296387
],
[
2.1135177612304688
],
[
1.8954511880874634
],
[
1.8415955305099487
],
[
2.086613178253174
],
[
1.918583631515503
],
[
2.037203311920166
],
[
2.13895583152771
],
[
1.8482763767242432
],
[
2.0352509021759033
],
[
2.1206600666046143
],
[
2.1135177612304688
],
[
2.274090528488159
],
[
2.1148555278778076
],
[
2.003994941711426
],
[
2.0745797157287598
],
[
2.1069023609161377
],
[
2.13895583152771
],
[
1.8954511880874634
],
[
2.274090528488159
],
[
1.8507990837097168
],
[
1.8482763767242432
],
[
1.8415955305099487
],
[
2.2777156829833984
],
[
1.918583631515503
],
[
1.8507990837097168
]
] |
[
[
0,
1,
2,
3,
3,
4,
5,
6,
4,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
12,
15,
15,
16,
16,
17,
14,
2,
13,
7,
17,
11
],
[
1,
0,
3,
2,
4,
3,
6,
5,
7,
4,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
12,
16,
15,
17,
16,
2,
14,
7,
13,
11,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
1,
2,
2,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] |
[
[
2,
31,
3,
4,
5,
8,
8,
9,
10,
33,
33,
11,
11,
12,
12,
13,
16,
16,
15,
15,
17,
17,
18,
18,
35,
19,
19,
20,
20,
24,
32,
32,
21,
21,
22,
30,
23,
23,
25,
25,
26,
27,
28,
34,
34,
29
],
[
4,
23,
31,
8,
3,
10,
33,
5,
12,
21,
22,
9,
33,
14,
16,
11,
18,
35,
13,
16,
13,
14,
20,
24,
29,
17,
35,
32,
22,
26,
9,
10,
19,
24,
30,
2,
32,
21,
19,
20,
28,
25,
34,
17,
18,
27
]
] |
[
[
2.094245672225952
],
[
2.1148555278778076
],
[
2.0745797157287598
],
[
2.139692783355713
],
[
2.094245672225952
],
[
2.1271965503692627
],
[
2.0352509021759033
],
[
2.139692783355713
],
[
2.100369691848755
],
[
2.037203311920166
],
[
2.1069023609161377
],
[
2.1271965503692627
],
[
2.1206600666046143
],
[
2.0495479106903076
],
[
2.1078553199768066
],
[
2.100369691848755
],
[
2.086613178253174
],
[
2.2777156829833984
],
[
2.0495479106903076
],
[
2.1257433891296387
],
[
2.1078553199768066
],
[
2.1257433891296387
],
[
2.1135177612304688
],
[
1.8954511880874634
],
[
1.8415955305099487
],
[
2.086613178253174
],
[
1.918583631515503
],
[
2.037203311920166
],
[
2.13895583152771
],
[
1.8482763767242432
],
[
2.0352509021759033
],
[
2.1206600666046143
],
[
2.1135177612304688
],
[
2.274090528488159
],
[
2.1148555278778076
],
[
2.0745797157287598
],
[
2.1069023609161377
],
[
2.13895583152771
],
[
1.8954511880874634
],
[
2.274090528488159
],
[
1.8507990837097168
],
[
1.8482763767242432
],
[
1.8415955305099487
],
[
2.2777156829833984
],
[
1.918583631515503
],
[
1.8507990837097168
]
] |
COc1cc(OC)c2nc(C)c3c(c2c1)CNC3
|
[
[
0,
1,
1,
2,
2,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
7,
17,
17,
18,
18,
19,
18,
4,
16,
12
],
[
1,
0,
2,
1,
3,
2,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
7,
18,
17,
19,
18,
4,
18,
12,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
0,
2,
6,
6,
3,
3,
5,
7,
7,
8,
39,
39,
9,
9,
10,
11,
12,
12,
13,
14,
32,
15,
15,
16,
17,
18,
19,
20,
21,
22,
22,
23,
24,
41,
25,
25,
26,
27,
28,
29,
30,
40,
40,
31,
33,
33,
34,
34,
38,
38,
35,
37,
37
],
[
2,
6,
4,
8,
39,
1,
6,
3,
1,
2,
10,
35,
36,
7,
39,
12,
9,
14,
32,
11,
16,
34,
13,
32,
18,
15,
20,
17,
22,
19,
24,
41,
21,
26,
31,
23,
41,
28,
25,
30,
27,
40,
23,
24,
29,
13,
14,
38,
36,
7,
8,
33,
38,
35
]
] |
[
[
2.1505775451660156
],
[
2.0666489601135254
],
[
1.9487628936767578
],
[
2.0797970294952393
],
[
2.127124786376953
],
[
2.1505775451660156
],
[
2.0659310817718506
],
[
1.9487628936767578
],
[
2.0666489601135254
],
[
2.0659310817718506
],
[
2.0930426120758057
],
[
2.1149539947509766
],
[
2.1118860244750977
],
[
2.0797970294952393
],
[
2.0760598182678223
],
[
2.1096181869506836
],
[
2.0930426120758057
],
[
1.9973090887069702
],
[
2.079559326171875
],
[
2.1096181869506836
],
[
2.0764126777648926
],
[
2.0929503440856934
],
[
1.9973090887069702
],
[
2.2062554359436035
],
[
1.930243730545044
],
[
2.0764126777648926
],
[
1.9690836668014526
],
[
1.930243730545044
],
[
1.9845037460327148
],
[
1.9690836668014526
],
[
2.2528271675109863
],
[
2.107542037963867
],
[
1.9845037460327148
],
[
1.8370411396026611
],
[
1.8436698913574219
],
[
2.2528271675109863
],
[
1.922790288925171
],
[
1.8763480186462402
],
[
1.8370411396026611
],
[
1.9449037313461304
],
[
1.8763480186462402
],
[
1.8436698913574219
],
[
2.107542037963867
],
[
1.922790288925171
],
[
1.9449037313461304
],
[
2.079559326171875
],
[
2.2062554359436035
],
[
2.1149539947509766
],
[
2.056119680404663
],
[
2.127124786376953
],
[
2.0760598182678223
],
[
2.0929503440856934
],
[
2.1118860244750977
],
[
2.056119680404663
]
] |
[
[
0,
1,
1,
2,
2,
3,
1,
4,
4,
5,
5,
6,
6,
7,
9,
10,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
7,
17,
17,
18,
18,
19,
18,
4,
16,
12
],
[
1,
0,
2,
1,
3,
2,
4,
1,
5,
4,
6,
5,
7,
6,
10,
9,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
7,
18,
17,
19,
18,
4,
18,
12,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
3,
3,
3,
3,
3,
0,
0,
0
] |
[
[
0,
0,
2,
6,
6,
3,
3,
5,
7,
7,
8,
33,
33,
9,
9,
10,
11,
12,
13,
26,
14,
17,
18,
35,
19,
20,
21,
22,
23,
24,
34,
25,
27,
28,
28,
32,
32,
29,
31,
31
],
[
2,
6,
4,
8,
33,
1,
6,
3,
1,
2,
10,
29,
30,
7,
33,
12,
9,
26,
11,
28,
16,
15,
20,
25,
35,
22,
19,
24,
21,
34,
18,
23,
13,
32,
30,
7,
8,
27,
32,
29
]
] |
[
[
2.1505775451660156
],
[
2.0666489601135254
],
[
1.9487628936767578
],
[
2.0797970294952393
],
[
2.127124786376953
],
[
2.1505775451660156
],
[
2.0659310817718506
],
[
1.9487628936767578
],
[
2.0666489601135254
],
[
2.0659310817718506
],
[
2.0930426120758057
],
[
2.1149539947509766
],
[
2.1118860244750977
],
[
2.0797970294952393
],
[
2.0760598182678223
],
[
2.1096181869506836
],
[
2.0930426120758057
],
[
2.079559326171875
],
[
2.1096181869506836
],
[
2.0929503440856934
],
[
1.9690836668014526
],
[
1.9690836668014526
],
[
1.8370411396026611
],
[
1.8436698913574219
],
[
1.922790288925171
],
[
1.8763480186462402
],
[
1.8370411396026611
],
[
1.9449037313461304
],
[
1.8763480186462402
],
[
1.8436698913574219
],
[
1.922790288925171
],
[
1.9449037313461304
],
[
2.079559326171875
],
[
2.1149539947509766
],
[
2.056119680404663
],
[
2.127124786376953
],
[
2.0760598182678223
],
[
2.0929503440856934
],
[
2.1118860244750977
],
[
2.056119680404663
]
] |
CC(=NO)c1ccc(OCCCc2c[nH]cn2)cc1F
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
7,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
5,
1,
20,
6,
9,
4,
19,
14
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
7,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
1,
5,
6,
20,
4,
9,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
0,
2,
43,
43,
3,
3,
4,
5,
6,
6,
7,
8,
8,
47,
47,
47,
42,
42,
9,
9,
10,
10,
11,
11,
12,
12,
45,
45,
13,
13,
14,
22,
22,
15,
15,
16,
16,
16,
46,
46,
17,
19,
19,
19,
21,
21,
21,
23,
23,
26,
26,
25,
25,
27,
27,
28,
49,
49,
29,
29,
30,
31,
32,
33,
34,
35,
36,
36,
48,
48,
37,
38,
38,
44,
44,
39,
39,
41,
41
],
[
2,
43,
4,
9,
10,
1,
43,
6,
3,
8,
47,
5,
42,
10,
17,
18,
20,
1,
2,
7,
47,
12,
45,
42,
9,
14,
22,
39,
40,
11,
45,
16,
24,
26,
13,
22,
46,
18,
20,
7,
8,
15,
46,
17,
20,
46,
17,
18,
13,
14,
28,
49,
23,
26,
23,
24,
30,
37,
38,
27,
49,
32,
29,
34,
31,
36,
33,
48,
38,
27,
28,
35,
44,
40,
11,
12,
48,
37,
44,
39
]
] |
[
[
1.932177186012268
],
[
1.9640002250671387
],
[
1.8257976770401
],
[
1.8210986852645874
],
[
1.9732308387756348
],
[
1.932177186012268
],
[
1.8585389852523804
],
[
1.7924271821975708
],
[
1.8257976770401
],
[
1.8048169612884521
],
[
2.0026681423187256
],
[
1.7924271821975708
],
[
1.8210986852645874
],
[
1.949815034866333
],
[
1.9386487007141113
],
[
1.9475702047348022
],
[
1.9395349025726318
],
[
1.9640002250671387
],
[
1.8585389852523804
],
[
1.8048169612884521
],
[
1.9663166999816895
],
[
2.138763427734375
],
[
2.0425636768341064
],
[
1.9732308387756348
],
[
1.949815034866333
],
[
2.1527657508850098
],
[
2.1206326484680176
],
[
2.0709517002105713
],
[
2.117995023727417
],
[
2.138763427734375
],
[
2.101113796234131
],
[
2.043065309524536
],
[
2.1257588863372803
],
[
2.061643123626709
],
[
2.1527657508850098
],
[
2.0096914768218994
],
[
1.9386487007141113
],
[
1.9059793949127197
],
[
1.8488906621932983
],
[
2.0026681423187256
],
[
1.9663166999816895
],
[
2.043065309524536
],
[
1.9475702047348022
],
[
1.9059793949127197
],
[
1.8795840740203857
],
[
1.9395349025726318
],
[
1.8488906621932983
],
[
1.8795840740203857
],
[
2.1206326484680176
],
[
2.0096914768218994
],
[
2.0889275074005127
],
[
2.1012749671936035
],
[
2.1257588863372803
],
[
2.095757484436035
],
[
2.061643123626709
],
[
2.095757484436035
],
[
2.096820831298828
],
[
2.092606544494629
],
[
2.1026158332824707
],
[
2.0889275074005127
],
[
2.092912197113037
],
[
2.0934996604919434
],
[
2.096820831298828
],
[
2.0936203002929688
],
[
2.0934996604919434
],
[
2.096855878829956
],
[
2.0936203002929688
],
[
2.092606544494629
],
[
2.087921142578125
],
[
2.1012749671936035
],
[
2.092912197113037
],
[
2.096855878829956
],
[
2.0709517002105713
],
[
2.094182252883911
],
[
2.0425636768341064
],
[
2.101113796234131
],
[
2.1026158332824707
],
[
2.087921142578125
],
[
2.117995023727417
],
[
2.094182252883911
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
7,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
5,
1,
20,
6,
9,
4,
19,
14
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
7,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
1,
5,
6,
20,
4,
9,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
43,
43,
3,
3,
4,
5,
6,
6,
7,
8,
8,
47,
47,
47,
42,
42,
9,
9,
10,
10,
11,
11,
12,
12,
45,
45,
13,
13,
14,
22,
22,
15,
15,
16,
16,
16,
46,
46,
17,
19,
19,
19,
21,
21,
21,
23,
23,
26,
26,
25,
25,
27,
27,
28,
49,
49,
29,
29,
30,
31,
32,
33,
34,
35,
36,
36,
48,
48,
37,
38,
38,
44,
44,
39,
39,
41,
41
],
[
2,
43,
4,
9,
10,
1,
43,
6,
3,
8,
47,
5,
42,
10,
17,
18,
20,
1,
2,
7,
47,
12,
45,
42,
9,
14,
22,
39,
40,
11,
45,
16,
24,
26,
13,
22,
46,
18,
20,
7,
8,
15,
46,
17,
20,
46,
17,
18,
13,
14,
28,
49,
23,
26,
23,
24,
30,
37,
38,
27,
49,
32,
29,
34,
31,
36,
33,
48,
38,
27,
28,
35,
44,
40,
11,
12,
48,
37,
44,
39
]
] |
[
[
1.932177186012268
],
[
1.9640002250671387
],
[
1.8257976770401
],
[
1.8210986852645874
],
[
1.9732308387756348
],
[
1.932177186012268
],
[
1.8585389852523804
],
[
1.7924271821975708
],
[
1.8257976770401
],
[
1.8048169612884521
],
[
2.0026681423187256
],
[
1.7924271821975708
],
[
1.8210986852645874
],
[
1.949815034866333
],
[
1.9386487007141113
],
[
1.9475702047348022
],
[
1.9395349025726318
],
[
1.9640002250671387
],
[
1.8585389852523804
],
[
1.8048169612884521
],
[
1.9663166999816895
],
[
2.138763427734375
],
[
2.0425636768341064
],
[
1.9732308387756348
],
[
1.949815034866333
],
[
2.1527657508850098
],
[
2.1206326484680176
],
[
2.0709517002105713
],
[
2.117995023727417
],
[
2.138763427734375
],
[
2.101113796234131
],
[
2.043065309524536
],
[
2.1257588863372803
],
[
2.061643123626709
],
[
2.1527657508850098
],
[
2.0096914768218994
],
[
1.9386487007141113
],
[
1.9059793949127197
],
[
1.8488906621932983
],
[
2.0026681423187256
],
[
1.9663166999816895
],
[
2.043065309524536
],
[
1.9475702047348022
],
[
1.9059793949127197
],
[
1.8795840740203857
],
[
1.9395349025726318
],
[
1.8488906621932983
],
[
1.8795840740203857
],
[
2.1206326484680176
],
[
2.0096914768218994
],
[
2.0889275074005127
],
[
2.1012749671936035
],
[
2.1257588863372803
],
[
2.095757484436035
],
[
2.061643123626709
],
[
2.095757484436035
],
[
2.096820831298828
],
[
2.092606544494629
],
[
2.1026158332824707
],
[
2.0889275074005127
],
[
2.092912197113037
],
[
2.0934996604919434
],
[
2.096820831298828
],
[
2.0936203002929688
],
[
2.0934996604919434
],
[
2.096855878829956
],
[
2.0936203002929688
],
[
2.092606544494629
],
[
2.087921142578125
],
[
2.1012749671936035
],
[
2.092912197113037
],
[
2.096855878829956
],
[
2.0709517002105713
],
[
2.094182252883911
],
[
2.0425636768341064
],
[
2.101113796234131
],
[
2.1026158332824707
],
[
2.087921142578125
],
[
2.117995023727417
],
[
2.094182252883911
]
] |
CC1CCC2C1C1=C(OC2(C)C)C(=O)c2ccccc2C1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
7,
23,
23,
24,
24,
25,
25,
26,
26,
27,
26,
2,
24,
4,
22,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
7,
24,
23,
25,
24,
26,
25,
27,
26,
2,
26,
4,
24,
16,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
55,
55,
5,
5,
6,
6,
7,
8,
57,
57,
9,
9,
10,
11,
12,
12,
13,
14,
14,
14,
44,
15,
15,
20,
17,
17,
17,
19,
19,
19,
21,
21,
21,
22,
23,
24,
24,
25,
28,
27,
27,
29,
29,
30,
30,
31,
32,
59,
33,
33,
34,
35,
36,
37,
38,
38,
39,
42,
41,
41,
58,
58,
43,
43,
45,
45,
46,
46,
56,
56,
47,
48,
49,
49,
50,
50,
54,
54,
51,
53,
53
],
[
2,
4,
55,
1,
6,
51,
52,
3,
55,
8,
57,
5,
10,
47,
48,
7,
57,
12,
9,
14,
44,
11,
16,
18,
20,
46,
13,
44,
22,
15,
18,
20,
15,
16,
20,
15,
16,
18,
24,
21,
26,
28,
23,
30,
25,
28,
25,
26,
32,
59,
29,
34,
43,
31,
59,
36,
33,
38,
35,
40,
42,
37,
58,
39,
42,
31,
32,
39,
40,
13,
14,
56,
48,
7,
8,
45,
50,
56,
47,
54,
52,
3,
4,
49,
54,
51
]
] |
[
[
1.9538483619689941
],
[
1.9200485944747925
],
[
1.9455764293670654
],
[
1.9538483619689941
],
[
1.7413318157196045
],
[
2.0891332626342773
],
[
2.118208885192871
],
[
1.9200485944747925
],
[
1.957939624786377
],
[
2.064899206161499
],
[
2.1283254623413086
],
[
1.7413318157196045
],
[
2.1043782234191895
],
[
2.0943002700805664
],
[
2.1335880756378174
],
[
2.064899206161499
],
[
2.087088108062744
],
[
2.0830023288726807
],
[
2.1043782234191895
],
[
2.081399917602539
],
[
2.105381727218628
],
[
2.0830023288726807
],
[
1.8537638187408447
],
[
1.8811285495758057
],
[
1.8413442373275757
],
[
2.09108829498291
],
[
2.081399917602539
],
[
2.0954365730285645
],
[
1.9802263975143433
],
[
1.8537638187408447
],
[
2.099088668823242
],
[
1.886284351348877
],
[
1.8811285495758057
],
[
2.099088668823242
],
[
1.8863641023635864
],
[
1.8413442373275757
],
[
1.886284351348877
],
[
1.8863641023635864
],
[
1.933070182800293
],
[
1.9802263975143433
],
[
2.091481924057007
],
[
1.977084755897522
],
[
1.933070182800293
],
[
2.21669864654541
],
[
2.091481924057007
],
[
2.212921380996704
],
[
1.977084755897522
],
[
2.212921380996704
],
[
2.0434908866882324
],
[
2.1605911254882812
],
[
2.21669864654541
],
[
2.106637477874756
],
[
2.092907428741455
],
[
2.0434908866882324
],
[
2.0790722370147705
],
[
2.0928096771240234
],
[
2.106637477874756
],
[
2.085388422012329
],
[
2.0928096771240234
],
[
2.0862934589385986
],
[
2.1092560291290283
],
[
2.085388422012329
],
[
2.092907428741455
],
[
2.0862934589385986
],
[
2.087520122528076
],
[
2.1605911254882812
],
[
2.0790722370147705
],
[
2.1092560291290283
],
[
2.087520122528076
],
[
2.105381727218628
],
[
2.0954365730285645
],
[
2.0943002700805664
],
[
2.05448579788208
],
[
2.1283254623413086
],
[
2.087088108062744
],
[
2.09108829498291
],
[
2.20908260345459
],
[
2.1335880756378174
],
[
2.05448579788208
],
[
2.0891332626342773
],
[
2.0710244178771973
],
[
1.9455764293670654
],
[
1.957939624786377
],
[
2.20908260345459
],
[
2.118208885192871
],
[
2.0710244178771973
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
13,
14,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
7,
23,
23,
24,
24,
25,
25,
26,
26,
27,
26,
2,
24,
4,
22,
16
],
[
1,
0,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
14,
13,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
7,
24,
23,
25,
24,
26,
25,
27,
26,
2,
26,
4,
24,
16,
22
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3,
1,
1,
1,
1,
1
] |
[
[
2,
49,
49,
3,
4,
4,
5,
6,
51,
51,
7,
7,
8,
9,
10,
10,
11,
12,
12,
12,
38,
13,
13,
18,
15,
15,
15,
17,
17,
17,
19,
19,
19,
20,
21,
22,
23,
25,
26,
53,
27,
28,
29,
30,
31,
32,
32,
33,
36,
35,
35,
52,
37,
37,
39,
39,
40,
40,
50,
50,
41,
42,
43,
43,
44,
44,
48,
45,
47,
47
],
[
4,
45,
46,
49,
6,
51,
3,
8,
41,
42,
5,
51,
10,
7,
12,
38,
9,
14,
16,
18,
40,
11,
38,
20,
13,
16,
18,
13,
14,
18,
13,
14,
16,
22,
19,
24,
21,
23,
28,
37,
53,
30,
27,
32,
29,
34,
36,
31,
52,
33,
36,
26,
33,
34,
11,
12,
50,
42,
5,
6,
39,
44,
50,
41,
48,
46,
2,
43,
48,
45
]
] |
[
[
1.7413318157196045
],
[
2.0891332626342773
],
[
2.118208885192871
],
[
1.957939624786377
],
[
2.064899206161499
],
[
2.1283254623413086
],
[
1.7413318157196045
],
[
2.1043782234191895
],
[
2.0943002700805664
],
[
2.1335880756378174
],
[
2.064899206161499
],
[
2.087088108062744
],
[
2.0830023288726807
],
[
2.1043782234191895
],
[
2.081399917602539
],
[
2.105381727218628
],
[
2.0830023288726807
],
[
1.8537638187408447
],
[
1.8811285495758057
],
[
1.8413442373275757
],
[
2.09108829498291
],
[
2.081399917602539
],
[
2.0954365730285645
],
[
1.9802263975143433
],
[
1.8537638187408447
],
[
2.099088668823242
],
[
1.886284351348877
],
[
1.8811285495758057
],
[
2.099088668823242
],
[
1.8863641023635864
],
[
1.8413442373275757
],
[
1.886284351348877
],
[
1.8863641023635864
],
[
1.933070182800293
],
[
1.9802263975143433
],
[
2.091481924057007
],
[
1.933070182800293
],
[
2.091481924057007
],
[
2.106637477874756
],
[
2.092907428741455
],
[
2.0790722370147705
],
[
2.0928096771240234
],
[
2.106637477874756
],
[
2.085388422012329
],
[
2.0928096771240234
],
[
2.0862934589385986
],
[
2.1092560291290283
],
[
2.085388422012329
],
[
2.092907428741455
],
[
2.0862934589385986
],
[
2.087520122528076
],
[
2.0790722370147705
],
[
2.1092560291290283
],
[
2.087520122528076
],
[
2.105381727218628
],
[
2.0954365730285645
],
[
2.0943002700805664
],
[
2.05448579788208
],
[
2.1283254623413086
],
[
2.087088108062744
],
[
2.09108829498291
],
[
2.20908260345459
],
[
2.1335880756378174
],
[
2.05448579788208
],
[
2.0891332626342773
],
[
2.0710244178771973
],
[
1.957939624786377
],
[
2.20908260345459
],
[
2.118208885192871
],
[
2.0710244178771973
]
] |
CCC1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccc(Br)c3)cc2NC1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
5,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
12,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
22,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
24,
32,
32,
33,
7,
2,
19,
9,
32,
20,
20,
5,
31,
26,
17,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
5,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
12,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
22,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
24,
33,
32,
2,
7,
9,
19,
20,
32,
5,
20,
26,
31,
15,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
67,
5,
5,
6,
7,
8,
8,
8,
9,
10,
14,
73,
73,
73,
11,
11,
11,
12,
66,
66,
13,
15,
15,
15,
16,
16,
17,
18,
69,
69,
19,
19,
20,
21,
22,
22,
23,
24,
34,
25,
25,
26,
27,
28,
28,
29,
30,
77,
31,
31,
32,
76,
76,
33,
35,
35,
36,
36,
68,
68,
37,
38,
38,
38,
72,
72,
72,
39,
39,
40,
71,
71,
41,
41,
41,
42,
42,
43,
46,
46,
45,
45,
47,
47,
48,
62,
62,
49,
49,
50,
50,
51,
52,
75,
53,
53,
54,
55,
56,
57,
58,
59,
60,
74,
74,
61,
70,
70,
70,
63,
63,
65,
65
],
[
2,
4,
67,
1,
6,
13,
3,
67,
8,
5,
10,
14,
73,
7,
12,
16,
39,
40,
71,
9,
14,
73,
66,
3,
4,
11,
9,
10,
73,
18,
69,
15,
20,
37,
38,
17,
69,
22,
19,
24,
34,
21,
26,
36,
23,
34,
28,
25,
30,
77,
27,
32,
33,
29,
77,
76,
29,
30,
31,
23,
24,
68,
38,
17,
18,
35,
72,
40,
71,
9,
10,
14,
68,
37,
42,
63,
64,
72,
39,
71,
44,
46,
41,
48,
62,
43,
46,
43,
44,
50,
70,
64,
47,
62,
52,
75,
49,
54,
61,
51,
75,
56,
53,
58,
55,
60,
57,
74,
51,
52,
59,
72,
39,
40,
47,
48,
70,
63
]
] |
[
[
1.9852029085159302
],
[
1.8700486421585083
],
[
1.9405688047409058
],
[
1.9852029085159302
],
[
1.9940476417541504
],
[
1.9538283348083496
],
[
1.8700486421585083
],
[
1.9373552799224854
],
[
1.9914124011993408
],
[
1.9940476417541504
],
[
1.9174084663391113
],
[
1.9362208843231201
],
[
1.9674403667449951
],
[
1.9914124011993408
],
[
1.9917603731155396
],
[
1.7818564176559448
],
[
1.7866398096084595
],
[
1.9915199279785156
],
[
2.0226681232452393
],
[
1.9174084663391113
],
[
1.8957418203353882
],
[
1.957474708557129
],
[
1.9538283348083496
],
[
1.9405688047409058
],
[
1.9373552799224854
],
[
1.9917603731155396
],
[
1.9362208843231201
],
[
1.8957418203353882
],
[
1.7849920988082886
],
[
2.232797622680664
],
[
1.9356119632720947
],
[
1.7818564176559448
],
[
2.065473794937134
],
[
2.1096391677856445
],
[
1.9155175685882568
],
[
2.232797622680664
],
[
2.1142826080322266
],
[
2.114686965942383
],
[
2.065473794937134
],
[
2.100956916809082
],
[
2.087409496307373
],
[
2.114686965942383
],
[
1.9863134622573853
],
[
2.0747220516204834
],
[
2.100956916809082
],
[
2.094630718231201
],
[
1.9701799154281616
],
[
1.9863134622573853
],
[
2.0894291400909424
],
[
2.0992443561553955
],
[
1.9701799154281616
],
[
1.0489286184310913
],
[
1.0488290786743164
],
[
2.0894291400909424
],
[
1.0438580513000488
],
[
1.0488290786743164
],
[
2.0992443561553955
],
[
1.0438580513000488
],
[
1.0489286184310913
],
[
2.087409496307373
],
[
2.094630718231201
],
[
2.1096391677856445
],
[
2.2571122646331787
],
[
1.9356119632720947
],
[
2.1142826080322266
],
[
2.0747220516204834
],
[
1.7866398096084595
],
[
1.9808741807937622
],
[
1.930483102798462
],
[
1.9674403667449951
],
[
1.957474708557129
],
[
1.7849920988082886
],
[
1.9155175685882568
],
[
2.2571122646331787
],
[
1.917104959487915
],
[
1.8616539239883423
],
[
2.2231569290161133
],
[
1.9915199279785156
],
[
1.9808741807937622
],
[
1.7599180936813354
],
[
2.1498849391937256
],
[
1.9385007619857788
],
[
1.917104959487915
],
[
2.2230966091156006
],
[
1.9202255010604858
],
[
2.1498849391937256
],
[
2.1938440799713135
],
[
1.9385007619857788
],
[
2.1938440799713135
],
[
1.9503098726272583
],
[
1.8616539239883423
],
[
2.197751522064209
],
[
2.2230966091156006
],
[
2.1373462677001953
],
[
2.1045806407928467
],
[
2.0372705459594727
],
[
1.9503098726272583
],
[
2.0726158618927
],
[
2.0451700687408447
],
[
2.1045806407928467
],
[
2.140244245529175
],
[
2.083681106567383
],
[
2.0726158618927
],
[
2.0634467601776123
],
[
2.083681106567383
],
[
2.16109037399292
],
[
2.0634467601776123
],
[
2.0451700687408447
],
[
2.0372705459594727
],
[
2.140244245529175
],
[
2.16109037399292
],
[
2.0226681232452393
],
[
1.930483102798462
],
[
1.7599180936813354
],
[
1.9202255010604858
],
[
2.1373462677001953
],
[
2.2231569290161133
],
[
2.197751522064209
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
5,
8,
8,
9,
9,
10,
10,
11,
11,
12,
13,
14,
15,
16,
16,
17,
12,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
22,
24,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
24,
32,
32,
33,
7,
2,
19,
9,
32,
20,
20,
5,
31,
26,
17,
15
],
[
1,
0,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
5,
9,
8,
10,
9,
11,
10,
12,
11,
14,
13,
16,
15,
17,
16,
18,
12,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
22,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
24,
33,
32,
2,
7,
9,
19,
20,
32,
5,
20,
26,
31,
15,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
2,
3,
3,
3,
1,
1,
1,
1,
1,
1,
1,
4,
5,
5,
5,
5,
5,
5,
1,
1
] |
[
[
2,
57,
3,
4,
5,
6,
6,
6,
7,
8,
12,
63,
63,
63,
9,
9,
9,
10,
56,
11,
13,
13,
13,
14,
14,
15,
16,
59,
59,
17,
17,
18,
19,
20,
21,
28,
24,
67,
25,
26,
66,
27,
29,
30,
30,
58,
58,
31,
32,
32,
32,
62,
62,
62,
33,
33,
34,
61,
61,
35,
35,
35,
36,
36,
37,
40,
39,
39,
41,
41,
52,
52,
42,
65,
43,
44,
45,
46,
47,
48,
49,
50,
64,
51,
60,
60,
60,
53,
55,
55
],
[
4,
11,
57,
6,
3,
8,
12,
63,
5,
10,
14,
33,
34,
61,
7,
12,
63,
56,
2,
9,
7,
8,
63,
16,
59,
13,
18,
31,
32,
15,
59,
20,
17,
28,
19,
30,
26,
27,
67,
66,
24,
25,
21,
58,
32,
15,
16,
29,
62,
34,
61,
7,
8,
12,
58,
31,
36,
53,
54,
62,
33,
61,
38,
40,
35,
52,
37,
40,
37,
38,
60,
54,
44,
51,
65,
46,
43,
48,
45,
50,
47,
64,
42,
49,
62,
33,
34,
41,
60,
53
]
] |
[
[
1.9940476417541504
],
[
1.9538283348083496
],
[
1.9373552799224854
],
[
1.9914124011993408
],
[
1.9940476417541504
],
[
1.9174084663391113
],
[
1.9362208843231201
],
[
1.9674403667449951
],
[
1.9914124011993408
],
[
1.9917603731155396
],
[
1.7818564176559448
],
[
1.7866398096084595
],
[
1.9915199279785156
],
[
2.0226681232452393
],
[
1.9174084663391113
],
[
1.8957418203353882
],
[
1.957474708557129
],
[
1.9538283348083496
],
[
1.9373552799224854
],
[
1.9917603731155396
],
[
1.9362208843231201
],
[
1.8957418203353882
],
[
1.7849920988082886
],
[
2.232797622680664
],
[
1.9356119632720947
],
[
1.7818564176559448
],
[
2.065473794937134
],
[
2.1096391677856445
],
[
1.9155175685882568
],
[
2.232797622680664
],
[
2.1142826080322266
],
[
2.114686965942383
],
[
2.065473794937134
],
[
2.087409496307373
],
[
2.114686965942383
],
[
2.0747220516204834
],
[
1.0489286184310913
],
[
1.0488290786743164
],
[
1.0438580513000488
],
[
1.0488290786743164
],
[
1.0438580513000488
],
[
1.0489286184310913
],
[
2.087409496307373
],
[
2.1096391677856445
],
[
2.2571122646331787
],
[
1.9356119632720947
],
[
2.1142826080322266
],
[
2.0747220516204834
],
[
1.7866398096084595
],
[
1.9808741807937622
],
[
1.930483102798462
],
[
1.9674403667449951
],
[
1.957474708557129
],
[
1.7849920988082886
],
[
1.9155175685882568
],
[
2.2571122646331787
],
[
1.917104959487915
],
[
1.8616539239883423
],
[
2.2231569290161133
],
[
1.9915199279785156
],
[
1.9808741807937622
],
[
1.7599180936813354
],
[
2.1498849391937256
],
[
1.9385007619857788
],
[
1.917104959487915
],
[
1.9202255010604858
],
[
2.1498849391937256
],
[
2.1938440799713135
],
[
1.9385007619857788
],
[
2.1938440799713135
],
[
1.8616539239883423
],
[
2.197751522064209
],
[
2.0726158618927
],
[
2.0451700687408447
],
[
2.140244245529175
],
[
2.083681106567383
],
[
2.0726158618927
],
[
2.0634467601776123
],
[
2.083681106567383
],
[
2.16109037399292
],
[
2.0634467601776123
],
[
2.0451700687408447
],
[
2.140244245529175
],
[
2.16109037399292
],
[
2.0226681232452393
],
[
1.930483102798462
],
[
1.7599180936813354
],
[
1.9202255010604858
],
[
2.2231569290161133
],
[
2.197751522064209
]
] |
COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21NC(=N)N(Cc2ccccn2)C1=O
|
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
16,
27,
8,
28,
28,
4,
27,
9,
27,
12,
26,
20
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
16,
28,
8,
4,
28,
9,
27,
12,
27,
20,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
57,
9,
9,
10,
11,
12,
13,
14,
14,
15,
16,
16,
54,
17,
17,
18,
59,
59,
19,
19,
20,
21,
22,
22,
23,
24,
61,
61,
25,
25,
26,
27,
28,
29,
30,
30,
31,
32,
52,
52,
33,
33,
34,
35,
36,
37,
38,
38,
39,
40,
63,
41,
41,
42,
43,
44,
44,
45,
48,
47,
47,
49,
49,
50,
62,
62,
51,
58,
58,
60,
60,
53,
53,
56,
56,
55,
55
],
[
2,
4,
6,
8,
57,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
55,
7,
57,
12,
9,
14,
11,
16,
54,
13,
18,
59,
56,
15,
54,
20,
60,
53,
17,
59,
22,
19,
24,
61,
21,
26,
58,
53,
23,
61,
28,
25,
30,
27,
32,
52,
29,
34,
58,
60,
31,
52,
36,
33,
38,
35,
40,
63,
37,
42,
51,
39,
63,
44,
41,
46,
48,
43,
50,
45,
48,
45,
46,
62,
39,
40,
49,
17,
18,
23,
24,
31,
32,
7,
8,
15,
16
]
] |
[
[
1.8741042613983154
],
[
1.8926030397415161
],
[
1.8354171514511108
],
[
2.0903518199920654
],
[
2.0849814414978027
],
[
1.8741042613983154
],
[
2.107452392578125
],
[
1.877190113067627
],
[
1.8926030397415161
],
[
2.107452392578125
],
[
1.859497308731079
],
[
1.8354171514511108
],
[
1.877190113067627
],
[
1.859497308731079
],
[
2.08538556098938
],
[
2.0873658657073975
],
[
2.0903518199920654
],
[
2.1077938079833984
],
[
2.0961503982543945
],
[
2.08538556098938
],
[
2.101864814758301
],
[
2.0961503982543945
],
[
2.0904319286346436
],
[
2.087602376937866
],
[
2.101864814758301
],
[
2.080662488937378
],
[
2.245675563812256
],
[
2.0873658657073975
],
[
2.0904319286346436
],
[
2.104865074157715
],
[
1.9626320600509644
],
[
1.9226269721984863
],
[
2.3437554836273193
],
[
2.080662488937378
],
[
1.9560273885726929
],
[
1.6042217016220093
],
[
1.9626320600509644
],
[
2.08786940574646
],
[
1.9790260791778564
],
[
1.6042217016220093
],
[
1.9596240520477295
],
[
1.9226269721984863
],
[
2.016733407974243
],
[
2.08786940574646
],
[
2.2162561416625977
],
[
2.223492383956909
],
[
1.9596240520477295
],
[
2.0838351249694824
],
[
2.223492383956909
],
[
2.074875831604004
],
[
2.0657312870025635
],
[
2.0838351249694824
],
[
2.0432872772216797
],
[
2.3437554836273193
],
[
2.016733407974243
],
[
2.074875831604004
],
[
2.1424994468688965
],
[
1.976752758026123
],
[
2.0432872772216797
],
[
1.9759018421173096
],
[
1.976752758026123
],
[
2.097003698348999
],
[
2.105909824371338
],
[
1.9759018421173096
],
[
2.103071451187134
],
[
2.0995235443115234
],
[
2.097003698348999
],
[
2.079824924468994
],
[
2.0841453075408936
],
[
2.103071451187134
],
[
2.109750747680664
],
[
2.111563205718994
],
[
2.0841453075408936
],
[
2.0876870155334473
],
[
2.109750747680664
],
[
2.0616116523742676
],
[
2.111563205718994
],
[
2.0616116523742676
],
[
2.0995235443115234
],
[
2.105909824371338
],
[
2.079824924468994
],
[
2.0876870155334473
],
[
2.245675563812256
],
[
1.9560273885726929
],
[
1.9790260791778564
],
[
2.2162561416625977
],
[
2.0657312870025635
],
[
2.1424994468688965
],
[
2.0849814414978027
],
[
2.1077938079833984
],
[
2.087602376937866
],
[
2.104865074157715
]
] |
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
18,
19,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
16,
27,
8,
28,
28,
4,
27,
9,
27,
12,
26,
20
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
19,
18,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
16,
28,
8,
4,
28,
9,
27,
12,
27,
20,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
3,
4,
4,
4,
4,
4,
4,
4,
1,
0
] |
[
[
0,
0,
0,
6,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
49,
9,
9,
10,
11,
12,
13,
14,
15,
46,
16,
51,
51,
17,
18,
19,
20,
20,
21,
22,
53,
53,
23,
23,
24,
25,
26,
27,
28,
29,
44,
44,
32,
55,
33,
34,
35,
36,
36,
37,
40,
39,
39,
41,
41,
42,
54,
43,
50,
52,
52,
45,
48,
48,
47
],
[
2,
4,
6,
8,
49,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
47,
7,
49,
12,
9,
14,
11,
46,
13,
48,
18,
52,
45,
51,
20,
17,
22,
53,
19,
24,
50,
45,
21,
53,
26,
23,
28,
25,
44,
27,
50,
52,
34,
43,
55,
36,
33,
38,
40,
35,
42,
37,
40,
37,
38,
54,
32,
41,
16,
21,
22,
29,
7,
8,
15
]
] |
[
[
1.8741042613983154
],
[
1.8926030397415161
],
[
1.8354171514511108
],
[
2.0903518199920654
],
[
2.0849814414978027
],
[
1.8741042613983154
],
[
2.107452392578125
],
[
1.877190113067627
],
[
1.8926030397415161
],
[
2.107452392578125
],
[
1.859497308731079
],
[
1.8354171514511108
],
[
1.877190113067627
],
[
1.859497308731079
],
[
2.08538556098938
],
[
2.0873658657073975
],
[
2.0903518199920654
],
[
2.1077938079833984
],
[
2.0961503982543945
],
[
2.08538556098938
],
[
2.101864814758301
],
[
2.0961503982543945
],
[
2.087602376937866
],
[
2.101864814758301
],
[
2.0873658657073975
],
[
1.9626320600509644
],
[
1.9226269721984863
],
[
2.3437554836273193
],
[
1.9560273885726929
],
[
1.6042217016220093
],
[
1.9626320600509644
],
[
2.08786940574646
],
[
1.9790260791778564
],
[
1.6042217016220093
],
[
1.9596240520477295
],
[
1.9226269721984863
],
[
2.016733407974243
],
[
2.08786940574646
],
[
2.2162561416625977
],
[
2.223492383956909
],
[
1.9596240520477295
],
[
2.0838351249694824
],
[
2.223492383956909
],
[
2.0657312870025635
],
[
2.0838351249694824
],
[
2.3437554836273193
],
[
2.016733407974243
],
[
2.103071451187134
],
[
2.0995235443115234
],
[
2.079824924468994
],
[
2.0841453075408936
],
[
2.103071451187134
],
[
2.109750747680664
],
[
2.111563205718994
],
[
2.0841453075408936
],
[
2.0876870155334473
],
[
2.109750747680664
],
[
2.0616116523742676
],
[
2.111563205718994
],
[
2.0616116523742676
],
[
2.0995235443115234
],
[
2.079824924468994
],
[
2.0876870155334473
],
[
1.9560273885726929
],
[
1.9790260791778564
],
[
2.2162561416625977
],
[
2.0657312870025635
],
[
2.0849814414978027
],
[
2.1077938079833984
],
[
2.087602376937866
]
] |
CS(=O)(=O)c1cccc(-c2csc3ncnc(NCCc4ccc(O)cc4)c23)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
15,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
11,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
5,
35,
35,
36,
36,
2,
10,
6,
21,
16,
27,
22,
34,
29,
34,
8
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
15,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
11,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
5,
36,
35,
2,
36,
6,
10,
16,
21,
22,
27,
29,
34,
8,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
73,
5,
5,
6,
7,
8,
8,
9,
10,
10,
68,
11,
11,
12,
75,
13,
13,
14,
14,
15,
16,
16,
83,
83,
17,
17,
18,
20,
20,
74,
74,
19,
19,
21,
21,
22,
54,
23,
23,
24,
24,
25,
28,
28,
27,
27,
29,
29,
30,
30,
42,
42,
31,
31,
32,
77,
33,
33,
34,
35,
36,
37,
38,
39,
40,
76,
76,
41,
43,
43,
44,
79,
45,
45,
46,
47,
48,
49,
50,
51,
52,
78,
78,
53,
55,
55,
56,
56,
57,
58,
81,
81,
59,
59,
60,
61,
62,
63,
64,
65,
66,
66,
82,
82,
80,
80,
67,
69,
69,
70,
72,
72,
71
],
[
2,
4,
73,
1,
6,
71,
3,
73,
8,
5,
10,
68,
7,
12,
75,
70,
9,
68,
14,
19,
11,
75,
16,
83,
13,
18,
20,
80,
67,
15,
83,
74,
22,
54,
11,
12,
17,
20,
17,
18,
24,
56,
21,
54,
26,
28,
23,
30,
42,
25,
28,
25,
26,
32,
77,
44,
79,
29,
42,
34,
41,
31,
77,
36,
33,
38,
35,
40,
37,
76,
31,
32,
39,
29,
30,
46,
53,
43,
79,
48,
45,
50,
47,
52,
49,
78,
43,
44,
51,
21,
22,
58,
81,
55,
60,
82,
67,
57,
81,
62,
59,
64,
61,
66,
63,
82,
80,
15,
16,
57,
58,
65,
9,
10,
72,
3,
4,
69
]
] |
[
[
2.038989782333374
],
[
2.201235294342041
],
[
2.0020833015441895
],
[
2.038989782333374
],
[
2.0980114936828613
],
[
2.1124472618103027
],
[
2.201235294342041
],
[
2.079841136932373
],
[
2.1054892539978027
],
[
2.0980114936828613
],
[
2.085240125656128
],
[
2.07832932472229
],
[
2.1054892539978027
],
[
2.228955030441284
],
[
2.098808765411377
],
[
2.0922017097473145
],
[
2.085240125656128
],
[
2.1195902824401855
],
[
1.8505265712738037
],
[
1.843363881111145
],
[
2.228955030441284
],
[
1.955396294593811
],
[
1.8598551750183105
],
[
2.228105068206787
],
[
1.8505265712738037
],
[
1.9154937267303467
],
[
2.0853655338287354
],
[
1.916476845741272
],
[
2.2295238971710205
],
[
1.8598551750183105
],
[
2.1951897144317627
],
[
1.843363881111145
],
[
2.085594654083252
],
[
2.0239639282226562
],
[
2.098808765411377
],
[
1.955396294593811
],
[
1.9154937267303467
],
[
2.2822999954223633
],
[
2.0853655338287354
],
[
2.2822999954223633
],
[
2.2004475593566895
],
[
2.1458489894866943
],
[
2.085594654083252
],
[
2.1736013889312744
],
[
2.1834843158721924
],
[
2.0047242641448975
],
[
2.2004475593566895
],
[
1.984072208404541
],
[
1.9765353202819824
],
[
2.1834843158721924
],
[
2.094322443008423
],
[
2.0047242641448975
],
[
2.094322443008423
],
[
2.0755653381347656
],
[
2.1428282260894775
],
[
2.1389663219451904
],
[
2.076291799545288
],
[
1.984072208404541
],
[
1.9959006309509277
],
[
2.1108837127685547
],
[
2.105586051940918
],
[
2.0755653381347656
],
[
2.0644450187683105
],
[
2.0937376022338867
],
[
2.1108837127685547
],
[
2.0925583839416504
],
[
2.0937376022338867
],
[
2.099102020263672
],
[
2.0925583839416504
],
[
2.105586051940918
],
[
2.1428282260894775
],
[
2.0644450187683105
],
[
2.099102020263672
],
[
1.9765353202819824
],
[
1.9959006309509277
],
[
2.1058456897735596
],
[
2.1075754165649414
],
[
2.1389663219451904
],
[
2.066693067550659
],
[
2.097222328186035
],
[
2.1058456897735596
],
[
2.0930800437927246
],
[
2.097222328186035
],
[
2.0958752632141113
],
[
2.0930800437927246
],
[
2.1075754165649414
],
[
2.076291799545288
],
[
2.066693067550659
],
[
2.0958752632141113
],
[
2.0239639282226562
],
[
2.1736013889312744
],
[
2.059649705886841
],
[
2.1994686126708984
],
[
2.1458489894866943
],
[
2.136699676513672
],
[
1.916476845741272
],
[
2.1371593475341797
],
[
2.059649705886841
],
[
2.0240418910980225
],
[
2.1039137840270996
],
[
2.136699676513672
],
[
2.0870542526245117
],
[
2.1039137840270996
],
[
2.077450752258301
],
[
2.0870542526245117
],
[
2.2295238971710205
],
[
2.1371593475341797
],
[
2.228105068206787
],
[
2.1951897144317627
],
[
2.1994686126708984
],
[
2.0240418910980225
],
[
2.077450752258301
],
[
2.07832932472229
],
[
2.1195902824401855
],
[
2.1124472618103027
],
[
2.0020833015441895
],
[
2.079841136932373
],
[
2.0922017097473145
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
13,
14,
13,
15,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
11,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
5,
35,
35,
36,
36,
2,
10,
6,
21,
16,
27,
22,
34,
29,
34,
8
],
[
1,
0,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
14,
13,
15,
13,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
11,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
5,
36,
35,
2,
36,
6,
10,
16,
21,
22,
27,
29,
34,
8,
34
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
3,
4,
4,
4,
5,
5,
5,
5,
5,
5,
6,
6,
6,
6,
6,
6,
2,
2,
2,
2,
2,
2,
2,
1,
1
] |
[
[
2,
61,
3,
4,
5,
6,
7,
56,
8,
63,
9,
10,
10,
11,
12,
12,
71,
71,
13,
13,
14,
16,
62,
15,
15,
17,
17,
42,
19,
21,
22,
65,
23,
24,
25,
26,
27,
28,
29,
30,
64,
31,
32,
67,
33,
34,
35,
36,
37,
38,
39,
40,
66,
41,
43,
44,
44,
45,
46,
69,
69,
47,
47,
48,
49,
50,
51,
52,
53,
54,
54,
70,
70,
68,
68,
55,
57,
58,
60,
59
],
[
4,
59,
61,
6,
3,
56,
5,
58,
10,
15,
63,
12,
71,
9,
14,
16,
68,
55,
11,
71,
62,
42,
8,
13,
16,
13,
14,
44,
20,
18,
24,
31,
65,
26,
23,
28,
25,
30,
27,
64,
22,
29,
34,
41,
67,
36,
33,
38,
35,
40,
37,
66,
32,
39,
17,
46,
69,
43,
48,
70,
55,
45,
69,
50,
47,
52,
49,
54,
51,
70,
68,
11,
12,
45,
46,
53,
7,
60,
2,
57
]
] |
[
[
2.0980114936828613
],
[
2.1124472618103027
],
[
2.079841136932373
],
[
2.1054892539978027
],
[
2.0980114936828613
],
[
2.07832932472229
],
[
2.1054892539978027
],
[
2.0922017097473145
],
[
1.8505265712738037
],
[
1.843363881111145
],
[
1.955396294593811
],
[
1.8598551750183105
],
[
2.228105068206787
],
[
1.8505265712738037
],
[
1.9154937267303467
],
[
2.0853655338287354
],
[
1.916476845741272
],
[
2.2295238971710205
],
[
1.8598551750183105
],
[
2.1951897144317627
],
[
1.843363881111145
],
[
2.0239639282226562
],
[
1.955396294593811
],
[
1.9154937267303467
],
[
2.2822999954223633
],
[
2.0853655338287354
],
[
2.2822999954223633
],
[
2.1458489894866943
],
[
2.094322443008423
],
[
2.094322443008423
],
[
2.1108837127685547
],
[
2.105586051940918
],
[
2.0644450187683105
],
[
2.0937376022338867
],
[
2.1108837127685547
],
[
2.0925583839416504
],
[
2.0937376022338867
],
[
2.099102020263672
],
[
2.0925583839416504
],
[
2.105586051940918
],
[
2.0644450187683105
],
[
2.099102020263672
],
[
2.1058456897735596
],
[
2.1075754165649414
],
[
2.066693067550659
],
[
2.097222328186035
],
[
2.1058456897735596
],
[
2.0930800437927246
],
[
2.097222328186035
],
[
2.0958752632141113
],
[
2.0930800437927246
],
[
2.1075754165649414
],
[
2.066693067550659
],
[
2.0958752632141113
],
[
2.0239639282226562
],
[
2.059649705886841
],
[
2.1994686126708984
],
[
2.1458489894866943
],
[
2.136699676513672
],
[
1.916476845741272
],
[
2.1371593475341797
],
[
2.059649705886841
],
[
2.0240418910980225
],
[
2.1039137840270996
],
[
2.136699676513672
],
[
2.0870542526245117
],
[
2.1039137840270996
],
[
2.077450752258301
],
[
2.0870542526245117
],
[
2.2295238971710205
],
[
2.1371593475341797
],
[
2.228105068206787
],
[
2.1951897144317627
],
[
2.1994686126708984
],
[
2.0240418910980225
],
[
2.077450752258301
],
[
2.07832932472229
],
[
2.1124472618103027
],
[
2.079841136932373
],
[
2.0922017097473145
]
] |
COc1ccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
7,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
21,
22,
21,
23,
23,
24,
5,
25,
25,
26,
26,
2,
15,
9,
24,
18
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
7,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
21,
24,
23,
25,
5,
26,
25,
2,
26,
9,
15,
18,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
53,
5,
5,
6,
7,
8,
8,
9,
10,
48,
11,
11,
12,
12,
13,
14,
30,
30,
15,
15,
16,
16,
17,
18,
55,
19,
19,
20,
21,
22,
22,
23,
26,
25,
25,
27,
27,
28,
54,
54,
29,
31,
31,
34,
34,
33,
33,
35,
35,
36,
57,
37,
37,
38,
39,
40,
40,
41,
44,
43,
43,
45,
45,
46,
56,
56,
47,
49,
49,
50,
52,
52,
51
],
[
2,
4,
53,
1,
6,
51,
3,
53,
8,
5,
10,
48,
7,
12,
50,
9,
48,
14,
30,
11,
16,
32,
34,
13,
30,
18,
55,
15,
20,
29,
17,
55,
22,
19,
24,
26,
21,
28,
23,
26,
23,
24,
54,
17,
18,
27,
13,
14,
36,
57,
31,
34,
31,
32,
38,
47,
35,
57,
40,
37,
42,
44,
39,
46,
41,
44,
41,
42,
56,
35,
36,
45,
9,
10,
52,
3,
4,
49
]
] |
[
[
1.7486615180969238
],
[
2.0753378868103027
],
[
2.127492904663086
],
[
1.7486615180969238
],
[
2.103543281555176
],
[
2.1013638973236084
],
[
2.0753378868103027
],
[
2.079951763153076
],
[
2.098872661590576
],
[
2.103543281555176
],
[
2.085477828979492
],
[
2.081618070602417
],
[
2.098872661590576
],
[
2.187333822250366
],
[
2.100739002227783
],
[
2.085477828979492
],
[
2.116051197052002
],
[
2.1366524696350098
],
[
2.1361236572265625
],
[
2.187333822250366
],
[
1.7331340312957764
],
[
2.112884998321533
],
[
2.0675764083862305
],
[
2.1366524696350098
],
[
2.010364532470703
],
[
2.114276170730591
],
[
2.087207555770874
],
[
1.7331340312957764
],
[
2.100925922393799
],
[
2.1007556915283203
],
[
2.114276170730591
],
[
2.0814414024353027
],
[
2.1026511192321777
],
[
2.100925922393799
],
[
2.1024680137634277
],
[
2.077756881713867
],
[
2.1026511192321777
],
[
2.1023387908935547
],
[
2.1024680137634277
],
[
2.10174822807312
],
[
2.077756881713867
],
[
2.10174822807312
],
[
2.1007556915283203
],
[
2.087207555770874
],
[
2.0814414024353027
],
[
2.1023387908935547
],
[
2.1361236572265625
],
[
2.010364532470703
],
[
2.060697555541992
],
[
2.1368424892425537
],
[
2.112884998321533
],
[
2.10243558883667
],
[
2.0675764083862305
],
[
2.10243558883667
],
[
2.1008098125457764
],
[
2.0955052375793457
],
[
2.060697555541992
],
[
2.0855982303619385
],
[
2.088300943374634
],
[
2.1008098125457764
],
[
2.090421438217163
],
[
2.1036930084228516
],
[
2.088300943374634
],
[
2.092255115509033
],
[
2.090421438217163
],
[
2.0890464782714844
],
[
2.1036930084228516
],
[
2.0890464782714844
],
[
2.0955052375793457
],
[
2.1368424892425537
],
[
2.0855982303619385
],
[
2.092255115509033
],
[
2.081618070602417
],
[
2.116051197052002
],
[
2.1013638973236084
],
[
2.127492904663086
],
[
2.079951763153076
],
[
2.100739002227783
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
5,
6,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
7,
16,
16,
17,
18,
19,
19,
20,
20,
21,
21,
22,
21,
23,
23,
24,
5,
25,
25,
26,
26,
2,
15,
9,
24,
18
],
[
1,
0,
3,
2,
4,
3,
5,
4,
6,
5,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
7,
17,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
21,
24,
23,
25,
5,
26,
25,
2,
26,
9,
15,
18,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
1,
2,
2,
3,
3,
3,
3,
3,
3,
3,
2,
2,
4,
4,
4,
4,
4,
4,
4,
1,
1
] |
[
[
2,
45,
3,
4,
5,
6,
6,
7,
40,
9,
9,
24,
11,
12,
47,
13,
14,
15,
16,
16,
17,
20,
19,
19,
21,
21,
22,
46,
23,
25,
27,
28,
49,
29,
30,
31,
32,
32,
33,
36,
35,
35,
37,
37,
38,
48,
39,
41,
41,
42,
44,
43
],
[
4,
43,
45,
6,
3,
8,
40,
5,
42,
7,
40,
26,
24,
14,
23,
47,
16,
13,
18,
20,
15,
22,
17,
20,
17,
18,
46,
12,
21,
10,
25,
30,
39,
49,
32,
29,
34,
36,
31,
38,
33,
36,
33,
34,
48,
28,
37,
7,
8,
44,
2,
41
]
] |
[
[
2.103543281555176
],
[
2.1013638973236084
],
[
2.079951763153076
],
[
2.098872661590576
],
[
2.103543281555176
],
[
2.085477828979492
],
[
2.081618070602417
],
[
2.098872661590576
],
[
2.100739002227783
],
[
2.085477828979492
],
[
2.116051197052002
],
[
2.112884998321533
],
[
2.010364532470703
],
[
2.100925922393799
],
[
2.1007556915283203
],
[
2.0814414024353027
],
[
2.1026511192321777
],
[
2.100925922393799
],
[
2.1024680137634277
],
[
2.077756881713867
],
[
2.1026511192321777
],
[
2.1023387908935547
],
[
2.1024680137634277
],
[
2.10174822807312
],
[
2.077756881713867
],
[
2.10174822807312
],
[
2.1007556915283203
],
[
2.0814414024353027
],
[
2.1023387908935547
],
[
2.010364532470703
],
[
2.112884998321533
],
[
2.1008098125457764
],
[
2.0955052375793457
],
[
2.0855982303619385
],
[
2.088300943374634
],
[
2.1008098125457764
],
[
2.090421438217163
],
[
2.1036930084228516
],
[
2.088300943374634
],
[
2.092255115509033
],
[
2.090421438217163
],
[
2.0890464782714844
],
[
2.1036930084228516
],
[
2.0890464782714844
],
[
2.0955052375793457
],
[
2.0855982303619385
],
[
2.092255115509033
],
[
2.081618070602417
],
[
2.116051197052002
],
[
2.1013638973236084
],
[
2.079951763153076
],
[
2.100739002227783
]
] |
CSc1ccc(C=C(Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
10,
12,
12,
13,
13,
1,
13,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
10,
13,
12,
1,
13,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
27,
27,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
29,
29,
13,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
22,
21,
21,
23,
23,
24,
24,
26,
26,
28,
28,
25
],
[
2,
27,
4,
28,
25,
1,
27,
6,
8,
3,
10,
5,
8,
5,
6,
12,
29,
9,
14,
26,
25,
11,
29,
16,
18,
13,
20,
22,
15,
18,
15,
16,
24,
19,
22,
19,
20,
26,
28,
1,
2,
11,
12,
23
]
] |
[
[
2.0154919624328613
],
[
2.1269965171813965
],
[
2.015139102935791
],
[
2.0112390518188477
],
[
2.1859664916992188
],
[
2.0154919624328613
],
[
2.140672445297241
],
[
2.0011425018310547
],
[
2.2290267944335938
],
[
2.015139102935791
],
[
2.027663230895996
],
[
2.0011425018310547
],
[
2.052989959716797
],
[
2.2290267944335938
],
[
2.052989959716797
],
[
2.065659284591675
],
[
2.1425788402557373
],
[
2.027663230895996
],
[
2.125002384185791
],
[
2.0112390518188477
],
[
2.0859551429748535
],
[
2.065659284591675
],
[
2.0749220848083496
],
[
2.056614398956299
],
[
2.0900306701660156
],
[
2.125002384185791
],
[
2.1417479515075684
],
[
2.0843353271484375
],
[
2.056614398956299
],
[
2.13651704788208
],
[
2.0900306701660156
],
[
2.13651704788208
],
[
2.1060757637023926
],
[
2.1417479515075684
],
[
2.0570788383483887
],
[
2.0843353271484375
],
[
2.0570788383483887
],
[
2.1859664916992188
],
[
2.0859551429748535
],
[
2.1269965171813965
],
[
2.140672445297241
],
[
2.1425788402557373
],
[
2.0749220848083496
],
[
2.1060757637023926
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
10,
12,
12,
13,
13,
1,
13,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
10,
13,
12,
1,
13,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
27,
27,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
29,
29,
13,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
22,
21,
21,
23,
23,
24,
24,
26,
26,
28,
28,
25
],
[
2,
27,
4,
28,
25,
1,
27,
6,
8,
3,
10,
5,
8,
5,
6,
12,
29,
9,
14,
26,
25,
11,
29,
16,
18,
13,
20,
22,
15,
18,
15,
16,
24,
19,
22,
19,
20,
26,
28,
1,
2,
11,
12,
23
]
] |
[
[
2.0154919624328613
],
[
2.1269965171813965
],
[
2.015139102935791
],
[
2.0112390518188477
],
[
2.1859664916992188
],
[
2.0154919624328613
],
[
2.140672445297241
],
[
2.0011425018310547
],
[
2.2290267944335938
],
[
2.015139102935791
],
[
2.027663230895996
],
[
2.0011425018310547
],
[
2.052989959716797
],
[
2.2290267944335938
],
[
2.052989959716797
],
[
2.065659284591675
],
[
2.1425788402557373
],
[
2.027663230895996
],
[
2.125002384185791
],
[
2.0112390518188477
],
[
2.0859551429748535
],
[
2.065659284591675
],
[
2.0749220848083496
],
[
2.056614398956299
],
[
2.0900306701660156
],
[
2.125002384185791
],
[
2.1417479515075684
],
[
2.0843353271484375
],
[
2.056614398956299
],
[
2.13651704788208
],
[
2.0900306701660156
],
[
2.13651704788208
],
[
2.1060757637023926
],
[
2.1417479515075684
],
[
2.0570788383483887
],
[
2.0843353271484375
],
[
2.0570788383483887
],
[
2.1859664916992188
],
[
2.0859551429748535
],
[
2.1269965171813965
],
[
2.140672445297241
],
[
2.1425788402557373
],
[
2.0749220848083496
],
[
2.1060757637023926
]
] |
Cc1nc(O)nc2cc(Cl)c(Cl)cc12
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
1,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
25,
27,
24,
28,
28,
29,
16,
3,
29,
21,
15,
6,
13,
8
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
1,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
25,
28,
24,
29,
28,
3,
16,
21,
29,
6,
15,
8,
13
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
36,
3,
3,
4,
4,
5,
6,
59,
59,
7,
7,
8,
9,
10,
10,
11,
12,
63,
63,
13,
13,
14,
14,
15,
16,
65,
65,
17,
17,
18,
19,
20,
21,
22,
23,
24,
24,
64,
64,
25,
26,
27,
27,
28,
28,
62,
62,
29,
30,
30,
58,
58,
31,
31,
32,
33,
33,
35,
37,
37,
38,
39,
40,
40,
41,
42,
61,
43,
43,
44,
45,
46,
46,
47,
48,
48,
54,
49,
49,
51,
51,
53,
53,
55,
55,
56,
60,
60,
57
],
[
2,
36,
4,
38,
1,
36,
6,
59,
3,
8,
31,
32,
5,
59,
10,
7,
12,
63,
9,
14,
29,
30,
11,
63,
16,
65,
13,
18,
25,
26,
15,
65,
20,
17,
22,
19,
24,
21,
64,
26,
15,
16,
23,
28,
64,
25,
62,
30,
11,
12,
27,
58,
32,
5,
6,
62,
29,
34,
58,
31,
33,
1,
2,
40,
37,
42,
61,
39,
44,
57,
41,
61,
46,
43,
48,
54,
45,
50,
52,
56,
47,
54,
49,
52,
49,
50,
47,
48,
60,
41,
42,
55
]
] |
[
[
2.2365431785583496
],
[
2.156655788421631
],
[
2.2702484130859375
],
[
1.9851573705673218
],
[
2.2365431785583496
],
[
1.8899592161178589
],
[
2.1215991973876953
],
[
2.076436996459961
],
[
2.2702484130859375
],
[
2.1032297611236572
],
[
2.0997397899627686
],
[
2.1694135665893555
],
[
2.1215991973876953
],
[
2.0851244926452637
],
[
2.099641799926758
],
[
2.1032297611236572
],
[
2.1086313724517822
],
[
2.102956771850586
],
[
2.099641799926758
],
[
2.0987741947174072
],
[
2.1089117527008057
],
[
2.0756289958953857
],
[
2.1086313724517822
],
[
2.0715725421905518
],
[
2.1291370391845703
],
[
2.0516812801361084
],
[
2.0987741947174072
],
[
2.0995981693267822
],
[
2.0612025260925293
],
[
2.136047601699829
],
[
2.1291370391845703
],
[
2.102342367172241
],
[
2.086130142211914
],
[
2.0995981693267822
],
[
2.0913238525390625
],
[
2.086130142211914
],
[
2.1257240772247314
],
[
2.0913238525390625
],
[
2.0612025260925293
],
[
2.0859100818634033
],
[
2.0516812801361084
],
[
2.102342367172241
],
[
2.1257240772247314
],
[
2.0993337631225586
],
[
2.136047601699829
],
[
2.0859100818634033
],
[
2.1089117527008057
],
[
2.0986199378967285
],
[
2.102956771850586
],
[
2.0715725421905518
],
[
2.0993337631225586
],
[
2.0997397899627686
],
[
2.014008045196533
],
[
2.076436996459961
],
[
2.0851244926452637
],
[
2.0756289958953857
],
[
2.0986199378967285
],
[
2.0012433528900146
],
[
2.1694135665893555
],
[
2.014008045196533
],
[
2.0012433528900146
],
[
2.156655788421631
],
[
1.8899592161178589
],
[
1.8789297342300415
],
[
1.9851573705673218
],
[
2.100257635116577
],
[
2.1002607345581055
],
[
1.8789297342300415
],
[
2.1042754650115967
],
[
2.1042749881744385
],
[
2.100257635116577
],
[
2.082009792327881
],
[
2.0855274200439453
],
[
2.1042754650115967
],
[
2.089287042617798
],
[
2.1045751571655273
],
[
2.0855274200439453
],
[
2.0553503036499023
],
[
2.0553503036499023
],
[
2.0855274200439453
],
[
2.089287042617798
],
[
2.089287281036377
],
[
2.0553503036499023
],
[
2.1724581718444824
],
[
2.0553503036499023
],
[
2.1724581718444824
],
[
2.1045751571655273
],
[
2.089287281036377
],
[
2.1042749881744385
],
[
2.1002607345581055
],
[
2.082009792327881
],
[
2.0855274200439453
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
17,
18,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
25,
27,
24,
28,
28,
29,
16,
3,
29,
21,
15,
6,
13,
8
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
18,
17,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
25,
28,
24,
29,
28,
3,
16,
21,
29,
6,
15,
8,
13
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
4,
5,
6,
6,
6,
6,
6,
6,
6,
6,
6
] |
[
[
2,
47,
3,
4,
5,
6,
6,
7,
8,
51,
51,
9,
9,
10,
10,
11,
12,
53,
53,
13,
13,
14,
15,
16,
17,
18,
19,
20,
20,
52,
52,
21,
22,
23,
23,
24,
24,
50,
50,
25,
26,
46,
27,
27,
30,
49,
31,
32,
33,
34,
34,
35,
36,
36,
42,
37,
37,
39,
39,
41,
41,
43,
43,
44,
48,
45
],
[
4,
27,
47,
6,
3,
8,
51,
5,
10,
25,
26,
7,
51,
12,
53,
9,
14,
21,
22,
11,
53,
16,
13,
18,
15,
20,
17,
52,
22,
11,
12,
19,
24,
52,
21,
50,
26,
7,
8,
23,
46,
2,
50,
25,
32,
45,
49,
34,
31,
36,
42,
33,
38,
40,
44,
35,
42,
37,
40,
37,
38,
35,
36,
48,
30,
43
]
] |
[
[
2.1032297611236572
],
[
2.0997397899627686
],
[
2.0851244926452637
],
[
2.099641799926758
],
[
2.1032297611236572
],
[
2.1086313724517822
],
[
2.102956771850586
],
[
2.099641799926758
],
[
2.0987741947174072
],
[
2.1089117527008057
],
[
2.0756289958953857
],
[
2.1086313724517822
],
[
2.0715725421905518
],
[
2.1291370391845703
],
[
2.0516812801361084
],
[
2.0987741947174072
],
[
2.0995981693267822
],
[
2.0612025260925293
],
[
2.136047601699829
],
[
2.1291370391845703
],
[
2.102342367172241
],
[
2.086130142211914
],
[
2.0995981693267822
],
[
2.0913238525390625
],
[
2.086130142211914
],
[
2.1257240772247314
],
[
2.0913238525390625
],
[
2.0612025260925293
],
[
2.0859100818634033
],
[
2.0516812801361084
],
[
2.102342367172241
],
[
2.1257240772247314
],
[
2.0993337631225586
],
[
2.136047601699829
],
[
2.0859100818634033
],
[
2.1089117527008057
],
[
2.0986199378967285
],
[
2.102956771850586
],
[
2.0715725421905518
],
[
2.0993337631225586
],
[
2.0997397899627686
],
[
2.0851244926452637
],
[
2.0756289958953857
],
[
2.0986199378967285
],
[
2.1042754650115967
],
[
2.1042749881744385
],
[
2.082009792327881
],
[
2.0855274200439453
],
[
2.1042754650115967
],
[
2.089287042617798
],
[
2.1045751571655273
],
[
2.0855274200439453
],
[
2.0553503036499023
],
[
2.0553503036499023
],
[
2.0855274200439453
],
[
2.089287042617798
],
[
2.089287281036377
],
[
2.0553503036499023
],
[
2.1724581718444824
],
[
2.0553503036499023
],
[
2.1724581718444824
],
[
2.1045751571655273
],
[
2.089287281036377
],
[
2.1042749881744385
],
[
2.082009792327881
],
[
2.0855274200439453
]
] |
O=C(Nc1ccc2cc3ccccc3nc2c1CO)OCc1ccc([N+](=O)[O-])cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
1,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
18,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
25,
33,
33,
34,
10,
5,
16,
11,
34,
17,
24,
19,
32,
27
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
1,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
18,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
25,
34,
33,
5,
10,
11,
16,
17,
34,
19,
24,
27,
32
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
14,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
32,
32,
3,
3,
4,
4,
4,
5,
8,
8,
20,
20,
7,
7,
7,
9,
9,
9,
10,
69,
11,
11,
12,
13,
14,
15,
16,
17,
18,
68,
68,
19,
21,
21,
21,
22,
71,
23,
23,
24,
25,
26,
27,
28,
29,
30,
70,
70,
31,
33,
33,
34,
34,
73,
35,
35,
36,
36,
48,
48,
37,
37,
38,
75,
39,
39,
40,
41,
42,
43,
44,
45,
46,
74,
74,
47,
49,
49,
50,
64,
51,
51,
52,
52,
53,
54,
77,
55,
55,
56,
57,
58,
59,
60,
61,
62,
76,
76,
63,
65,
65,
66,
72,
72,
67
],
[
2,
32,
4,
34,
73,
1,
32,
6,
8,
20,
3,
10,
69,
22,
71,
5,
8,
20,
5,
6,
20,
12,
19,
9,
69,
14,
11,
16,
13,
18,
15,
68,
9,
10,
17,
5,
6,
8,
24,
31,
21,
71,
26,
23,
28,
25,
30,
27,
70,
21,
22,
29,
1,
2,
36,
48,
67,
33,
73,
38,
75,
50,
64,
35,
48,
40,
47,
37,
75,
42,
39,
44,
41,
46,
43,
74,
37,
38,
45,
35,
36,
52,
66,
49,
64,
54,
77,
51,
56,
63,
53,
77,
58,
55,
60,
57,
62,
59,
76,
53,
54,
61,
49,
50,
72,
33,
34,
65
]
] |
[
[
2.1846466064453125
],
[
2.096083402633667
],
[
2.17317271232605
],
[
2.237776756286621
],
[
2.072827100753784
],
[
2.1846466064453125
],
[
2.002427577972412
],
[
1.9797585010528564
],
[
1.8730577230453491
],
[
1.8163210153579712
],
[
2.17317271232605
],
[
2.0191309452056885
],
[
2.049222230911255
],
[
2.0244624614715576
],
[
2.1078944206237793
],
[
1.9797585010528564
],
[
2.005392551422119
],
[
1.9476468563079834
],
[
1.8730577230453491
],
[
2.005392551422119
],
[
1.8257341384887695
],
[
1.9815475940704346
],
[
1.9716846942901611
],
[
2.0191309452056885
],
[
1.861526608467102
],
[
1.939513921737671
],
[
1.9815475940704346
],
[
1.9234678745269775
],
[
1.939513921737671
],
[
1.9191830158233643
],
[
1.9234678745269775
],
[
1.9716846942901611
],
[
2.049222230911255
],
[
1.861526608467102
],
[
1.9191830158233643
],
[
1.8163210153579712
],
[
1.9476468563079834
],
[
1.8257341384887695
],
[
1.9658043384552002
],
[
1.9671844244003296
],
[
2.0244624614715576
],
[
1.9180188179016113
],
[
1.9361542463302612
],
[
1.9658043384552002
],
[
1.9148696660995483
],
[
1.9361542463302612
],
[
1.9365575313568115
],
[
1.9148696660995483
],
[
1.9671844244003296
],
[
2.1078944206237793
],
[
1.9180188179016113
],
[
1.9365575313568115
],
[
2.096083402633667
],
[
2.002427577972412
],
[
2.216454267501831
],
[
1.9058557748794556
],
[
1.8052157163619995
],
[
2.237776756286621
],
[
1.972165822982788
],
[
2.1091368198394775
],
[
2.0595805644989014
],
[
2.2115848064422607
],
[
1.8737338781356812
],
[
2.216454267501831
],
[
2.159457206726074
],
[
1.9592093229293823
],
[
1.933213472366333
],
[
2.1091368198394775
],
[
1.9834136962890625
],
[
1.9632556438446045
],
[
1.9592093229293823
],
[
1.9845917224884033
],
[
1.9632556438446045
],
[
2.0111258029937744
],
[
1.9845917224884033
],
[
1.933213472366333
],
[
2.0595805644989014
],
[
1.9834136962890625
],
[
2.0111258029937744
],
[
1.9058557748794556
],
[
2.159457206726074
],
[
2.1617581844329834
],
[
1.831101417541504
],
[
2.2115848064422607
],
[
2.196436643600464
],
[
2.097059726715088
],
[
2.098468780517578
],
[
2.1617581844329834
],
[
2.096430540084839
],
[
2.0977022647857666
],
[
2.097059726715088
],
[
2.087615489959717
],
[
2.0956990718841553
],
[
2.096430540084839
],
[
2.095188617706299
],
[
2.0956990718841553
],
[
2.093672275543213
],
[
2.095188617706299
],
[
2.0977022647857666
],
[
2.098468780517578
],
[
2.087615489959717
],
[
2.093672275543213
],
[
1.8737338781356812
],
[
2.196436643600464
],
[
1.8052157163619995
],
[
2.072827100753784
],
[
1.972165822982788
],
[
1.831101417541504
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
1,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
18,
25,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
25,
33,
33,
34,
10,
5,
16,
11,
34,
17,
24,
19,
32,
27
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
1,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
18,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
25,
34,
33,
5,
10,
11,
16,
17,
34,
19,
24,
27,
32
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
0,
0
] |
[
[
0,
0,
2,
32,
32,
3,
3,
4,
4,
4,
5,
8,
8,
20,
20,
7,
7,
7,
9,
9,
9,
10,
67,
11,
11,
12,
13,
14,
15,
16,
17,
18,
66,
66,
19,
21,
21,
21,
22,
69,
23,
23,
24,
25,
26,
27,
28,
29,
30,
68,
68,
31,
33,
33,
34,
34,
71,
35,
35,
36,
36,
48,
37,
37,
38,
73,
39,
39,
40,
41,
42,
43,
44,
45,
46,
72,
72,
47,
49,
49,
62,
50,
50,
52,
75,
53,
53,
54,
55,
56,
57,
58,
59,
60,
74,
74,
61,
63,
64,
70,
70,
65
],
[
2,
32,
4,
34,
71,
1,
32,
6,
8,
20,
3,
10,
67,
22,
69,
5,
8,
20,
5,
6,
20,
12,
19,
9,
67,
14,
11,
16,
13,
18,
15,
66,
9,
10,
17,
5,
6,
8,
24,
31,
21,
69,
26,
23,
28,
25,
30,
27,
68,
21,
22,
29,
1,
2,
36,
48,
65,
33,
71,
38,
73,
62,
35,
48,
40,
47,
37,
73,
42,
39,
44,
41,
46,
43,
72,
37,
38,
45,
35,
36,
64,
52,
75,
54,
61,
51,
75,
56,
53,
58,
55,
60,
57,
74,
51,
52,
59,
49,
70,
33,
34,
63
]
] |
[
[
2.1846466064453125
],
[
2.096083402633667
],
[
2.17317271232605
],
[
2.237776756286621
],
[
2.072827100753784
],
[
2.1846466064453125
],
[
2.002427577972412
],
[
1.9797585010528564
],
[
1.8730577230453491
],
[
1.8163210153579712
],
[
2.17317271232605
],
[
2.0191309452056885
],
[
2.049222230911255
],
[
2.0244624614715576
],
[
2.1078944206237793
],
[
1.9797585010528564
],
[
2.005392551422119
],
[
1.9476468563079834
],
[
1.8730577230453491
],
[
2.005392551422119
],
[
1.8257341384887695
],
[
1.9815475940704346
],
[
1.9716846942901611
],
[
2.0191309452056885
],
[
1.861526608467102
],
[
1.939513921737671
],
[
1.9815475940704346
],
[
1.9234678745269775
],
[
1.939513921737671
],
[
1.9191830158233643
],
[
1.9234678745269775
],
[
1.9716846942901611
],
[
2.049222230911255
],
[
1.861526608467102
],
[
1.9191830158233643
],
[
1.8163210153579712
],
[
1.9476468563079834
],
[
1.8257341384887695
],
[
1.9658043384552002
],
[
1.9671844244003296
],
[
2.0244624614715576
],
[
1.9180188179016113
],
[
1.9361542463302612
],
[
1.9658043384552002
],
[
1.9148696660995483
],
[
1.9361542463302612
],
[
1.9365575313568115
],
[
1.9148696660995483
],
[
1.9671844244003296
],
[
2.1078944206237793
],
[
1.9180188179016113
],
[
1.9365575313568115
],
[
2.096083402633667
],
[
2.002427577972412
],
[
2.216454267501831
],
[
1.9058557748794556
],
[
1.8052157163619995
],
[
2.237776756286621
],
[
1.972165822982788
],
[
2.1091368198394775
],
[
2.0595805644989014
],
[
1.8737338781356812
],
[
2.216454267501831
],
[
2.159457206726074
],
[
1.9592093229293823
],
[
1.933213472366333
],
[
2.1091368198394775
],
[
1.9834136962890625
],
[
1.9632556438446045
],
[
1.9592093229293823
],
[
1.9845917224884033
],
[
1.9632556438446045
],
[
2.0111258029937744
],
[
1.9845917224884033
],
[
1.933213472366333
],
[
2.0595805644989014
],
[
1.9834136962890625
],
[
2.0111258029937744
],
[
1.9058557748794556
],
[
2.159457206726074
],
[
1.831101417541504
],
[
2.097059726715088
],
[
2.098468780517578
],
[
2.096430540084839
],
[
2.0977022647857666
],
[
2.097059726715088
],
[
2.087615489959717
],
[
2.0956990718841553
],
[
2.096430540084839
],
[
2.095188617706299
],
[
2.0956990718841553
],
[
2.093672275543213
],
[
2.095188617706299
],
[
2.0977022647857666
],
[
2.098468780517578
],
[
2.087615489959717
],
[
2.093672275543213
],
[
1.8737338781356812
],
[
1.8052157163619995
],
[
2.072827100753784
],
[
1.972165822982788
],
[
1.831101417541504
]
] |
O=C(NP(=O)(N1CCOCC1)N1CCOCC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
6,
14,
1,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
14,
3,
25,
16,
13,
7,
25,
20
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
6,
15,
1,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
3,
14,
16,
25,
7,
13,
20,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
28,
3,
3,
4,
4,
5,
6,
51,
7,
7,
8,
9,
10,
10,
11,
12,
12,
26,
13,
13,
14,
55,
15,
15,
16,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
54,
54,
25,
50,
50,
27,
27,
29,
29,
30,
30,
31,
32,
53,
53,
33,
33,
34,
35,
36,
37,
38,
38,
39,
40,
57,
57,
41,
41,
42,
43,
44,
45,
46,
47,
48,
48,
52,
52,
56,
56,
49
],
[
2,
28,
4,
30,
1,
28,
6,
51,
3,
8,
27,
5,
51,
10,
7,
12,
26,
9,
14,
55,
50,
11,
26,
16,
25,
13,
55,
18,
15,
20,
22,
17,
24,
19,
22,
19,
20,
54,
13,
14,
23,
5,
6,
11,
12,
1,
2,
32,
53,
29,
34,
56,
49,
31,
53,
36,
33,
38,
35,
40,
57,
37,
42,
52,
49,
39,
57,
44,
41,
46,
43,
48,
45,
52,
56,
31,
32,
39,
40,
47
]
] |
[
[
1.9323828220367432
],
[
1.9095079898834229
],
[
1.925776720046997
],
[
1.990447998046875
],
[
1.9323828220367432
],
[
1.9438759088516235
],
[
2.247744560241699
],
[
2.1276302337646484
],
[
1.925776720046997
],
[
1.8897514343261719
],
[
1.8162415027618408
],
[
2.247744560241699
],
[
1.9077847003936768
],
[
1.8198081254959106
],
[
1.8897514343261719
],
[
2.039595365524292
],
[
1.991156816482544
],
[
1.8198081254959106
],
[
2.0856025218963623
],
[
2.128580093383789
],
[
1.8162415027618408
],
[
2.039595365524292
],
[
2.2524070739746094
],
[
2.108501434326172
],
[
2.105989933013916
],
[
2.0856025218963623
],
[
2.0689783096313477
],
[
2.085326671600342
],
[
2.108501434326172
],
[
2.0866048336029053
],
[
2.1102406978607178
],
[
2.085326671600342
],
[
2.0872843265533447
],
[
2.0866048336029053
],
[
2.0863146781921387
],
[
2.1102406978607178
],
[
2.0863146781921387
],
[
2.105989933013916
],
[
2.128580093383789
],
[
2.0689783096313477
],
[
2.0872843265533447
],
[
2.1276302337646484
],
[
1.9077847003936768
],
[
1.991156816482544
],
[
2.2524070739746094
],
[
1.9095079898834229
],
[
1.9438759088516235
],
[
2.0553832054138184
],
[
2.140517234802246
],
[
1.990447998046875
],
[
2.110166549682617
],
[
2.072946548461914
],
[
2.1616783142089844
],
[
2.0553832054138184
],
[
2.087235689163208
],
[
2.0912625789642334
],
[
2.110166549682617
],
[
2.1107680797576904
],
[
2.0912625789642334
],
[
2.092984437942505
],
[
2.093923330307007
],
[
2.1107680797576904
],
[
2.1128270626068115
],
[
2.072946548461914
],
[
2.0485363006591797
],
[
2.092984437942505
],
[
2.096252918243408
],
[
2.088705062866211
],
[
2.1128270626068115
],
[
2.092771053314209
],
[
2.088705062866211
],
[
2.1272270679473877
],
[
2.092771053314209
],
[
2.1616783142089844
],
[
2.0485363006591797
],
[
2.140517234802246
],
[
2.087235689163208
],
[
2.093923330307007
],
[
2.096252918243408
],
[
2.1272270679473877
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
6,
14,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
14,
3,
25,
16,
13,
7,
25,
20
],
[
1,
0,
4,
3,
5,
4,
6,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
6,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
3,
14,
16,
25,
7,
13,
20,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
3,
2,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] |
[
[
2,
41,
3,
4,
5,
6,
7,
20,
8,
45,
9,
10,
11,
12,
12,
13,
16,
15,
15,
17,
17,
18,
44,
19,
40,
21,
22,
43,
43,
23,
24,
25,
26,
27,
28,
28,
29,
30,
47,
47,
31,
31,
32,
33,
34,
35,
36,
37,
38,
38,
42,
46,
46,
39
],
[
4,
21,
41,
6,
3,
20,
5,
40,
10,
19,
45,
12,
9,
14,
16,
11,
18,
13,
16,
13,
14,
44,
8,
17,
2,
7,
24,
46,
39,
43,
26,
23,
28,
25,
30,
47,
27,
32,
42,
39,
29,
47,
34,
31,
36,
33,
38,
35,
42,
46,
22,
29,
30,
37
]
] |
[
[
1.8897514343261719
],
[
1.8162415027618408
],
[
1.9077847003936768
],
[
1.8198081254959106
],
[
1.8897514343261719
],
[
1.991156816482544
],
[
1.8198081254959106
],
[
1.8162415027618408
],
[
2.108501434326172
],
[
2.105989933013916
],
[
2.0689783096313477
],
[
2.085326671600342
],
[
2.108501434326172
],
[
2.0866048336029053
],
[
2.1102406978607178
],
[
2.085326671600342
],
[
2.0872843265533447
],
[
2.0866048336029053
],
[
2.0863146781921387
],
[
2.1102406978607178
],
[
2.0863146781921387
],
[
2.105989933013916
],
[
2.0689783096313477
],
[
2.0872843265533447
],
[
1.9077847003936768
],
[
1.991156816482544
],
[
2.110166549682617
],
[
2.072946548461914
],
[
2.1616783142089844
],
[
2.087235689163208
],
[
2.0912625789642334
],
[
2.110166549682617
],
[
2.1107680797576904
],
[
2.0912625789642334
],
[
2.092984437942505
],
[
2.093923330307007
],
[
2.1107680797576904
],
[
2.1128270626068115
],
[
2.072946548461914
],
[
2.0485363006591797
],
[
2.092984437942505
],
[
2.096252918243408
],
[
2.088705062866211
],
[
2.1128270626068115
],
[
2.092771053314209
],
[
2.088705062866211
],
[
2.1272270679473877
],
[
2.092771053314209
],
[
2.1616783142089844
],
[
2.0485363006591797
],
[
2.087235689163208
],
[
2.093923330307007
],
[
2.096252918243408
],
[
2.1272270679473877
]
] |
CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccc2ccccc12
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
1,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
16,
19,
12,
20,
20,
21,
8,
3,
21,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
1,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
16,
20,
12,
21,
20,
3,
8,
9,
21
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
16,
16,
3,
3,
4,
4,
5,
6,
43,
7,
7,
8,
9,
10,
11,
12,
13,
14,
42,
42,
15,
17,
17,
18,
45,
19,
19,
20,
21,
22,
22,
23,
24,
38,
25,
25,
26,
27,
28,
29,
30,
30,
30,
31,
33,
33,
33,
35,
35,
35,
37,
37,
37,
39,
39,
40,
44,
44,
41
],
[
2,
16,
4,
18,
45,
1,
16,
6,
43,
3,
8,
15,
5,
43,
10,
7,
12,
9,
14,
11,
42,
5,
6,
13,
1,
2,
20,
41,
17,
45,
22,
19,
24,
38,
21,
26,
40,
23,
38,
28,
25,
30,
27,
32,
34,
36,
29,
31,
34,
36,
31,
32,
36,
31,
32,
34,
23,
24,
44,
17,
18,
39
]
] |
[
[
2.2061383724212646
],
[
2.068723440170288
],
[
2.2074103355407715
],
[
2.067612409591675
],
[
2.125638961791992
],
[
2.2061383724212646
],
[
2.007852077484131
],
[
2.0538558959960938
],
[
2.186462163925171
],
[
2.2074103355407715
],
[
2.095335006713867
],
[
2.165682554244995
],
[
2.0538558959960938
],
[
2.042806386947632
],
[
2.0654664039611816
],
[
2.095335006713867
],
[
2.156087875366211
],
[
2.0654664039611816
],
[
2.040936231613159
],
[
2.156087875366211
],
[
2.165682554244995
],
[
2.186462163925171
],
[
2.042806386947632
],
[
2.040936231613159
],
[
2.068723440170288
],
[
2.007852077484131
],
[
2.0986709594726562
],
[
2.09232234954834
],
[
2.067612409591675
],
[
2.089606285095215
],
[
2.100595235824585
],
[
2.0986709594726562
],
[
2.1056528091430664
],
[
2.0793039798736572
],
[
2.100595235824585
],
[
1.9558892250061035
],
[
2.1055808067321777
],
[
2.1056528091430664
],
[
2.0981712341308594
],
[
2.0080628395080566
],
[
1.9558892250061035
],
[
2.0312485694885254
],
[
2.0080628395080566
],
[
1.9513187408447266
],
[
1.951148271560669
],
[
1.9294565916061401
],
[
2.0312485694885254
],
[
1.9513187408447266
],
[
1.8815969228744507
],
[
1.8763939142227173
],
[
1.951148271560669
],
[
1.8815969228744507
],
[
1.8702369928359985
],
[
1.9294565916061401
],
[
1.8763939142227173
],
[
1.8702369928359985
],
[
2.0793039798736572
],
[
2.0981712341308594
],
[
2.09232234954834
],
[
2.125638961791992
],
[
2.089606285095215
],
[
2.1055808067321777
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
15,
16,
16,
17,
16,
18,
16,
19,
12,
20,
20,
21,
8,
3,
21,
9
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
16,
15,
17,
16,
18,
16,
19,
16,
20,
12,
21,
20,
3,
8,
9,
21
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
4,
5,
6,
6,
6,
6,
6,
3,
3
] |
[
[
2,
31,
3,
4,
5,
6,
7,
8,
9,
10,
30,
11,
12,
33,
13,
14,
15,
16,
17,
26,
18,
18,
18,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
28,
32,
29
],
[
4,
11,
31,
6,
3,
8,
5,
10,
7,
30,
2,
9,
14,
29,
33,
16,
13,
26,
15,
28,
20,
22,
24,
19,
22,
24,
19,
20,
24,
19,
20,
22,
17,
32,
12,
27
]
] |
[
[
2.095335006713867
],
[
2.165682554244995
],
[
2.042806386947632
],
[
2.0654664039611816
],
[
2.095335006713867
],
[
2.156087875366211
],
[
2.0654664039611816
],
[
2.040936231613159
],
[
2.156087875366211
],
[
2.165682554244995
],
[
2.042806386947632
],
[
2.040936231613159
],
[
2.0986709594726562
],
[
2.09232234954834
],
[
2.089606285095215
],
[
2.100595235824585
],
[
2.0986709594726562
],
[
2.0793039798736572
],
[
2.100595235824585
],
[
2.1055808067321777
],
[
1.9513187408447266
],
[
1.951148271560669
],
[
1.9294565916061401
],
[
1.9513187408447266
],
[
1.8815969228744507
],
[
1.8763939142227173
],
[
1.951148271560669
],
[
1.8815969228744507
],
[
1.8702369928359985
],
[
1.9294565916061401
],
[
1.8763939142227173
],
[
1.8702369928359985
],
[
2.0793039798736572
],
[
2.09232234954834
],
[
2.089606285095215
],
[
2.1055808067321777
]
] |
O=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
8,
19,
19,
20,
20,
21,
21,
22,
22,
23,
22,
2,
21,
6,
18,
9,
18,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
8,
20,
19,
21,
20,
22,
21,
23,
22,
2,
22,
6,
21,
9,
18,
13,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
47,
47,
5,
5,
6,
6,
7,
10,
10,
9,
9,
11,
11,
12,
49,
49,
13,
13,
14,
14,
15,
16,
16,
36,
17,
17,
18,
51,
51,
19,
19,
20,
21,
22,
23,
24,
24,
25,
26,
53,
53,
27,
27,
28,
29,
30,
31,
32,
33,
34,
34,
50,
50,
52,
52,
35,
37,
37,
38,
39,
40,
40,
48,
48,
41,
42,
42,
46,
46,
43,
43,
45,
45
],
[
2,
4,
47,
1,
6,
43,
44,
3,
47,
8,
10,
5,
12,
49,
7,
10,
7,
8,
14,
41,
42,
11,
49,
16,
36,
13,
18,
51,
38,
15,
36,
20,
52,
35,
17,
51,
22,
19,
24,
21,
26,
53,
23,
28,
50,
35,
25,
53,
30,
27,
32,
29,
34,
31,
50,
52,
17,
18,
25,
26,
33,
15,
16,
40,
37,
48,
42,
11,
12,
39,
46,
44,
3,
4,
48,
41,
46,
43
]
] |
[
[
2.028228521347046
],
[
2.0527849197387695
],
[
2.142913818359375
],
[
2.028228521347046
],
[
2.156871795654297
],
[
2.0592074394226074
],
[
2.145491123199463
],
[
2.0527849197387695
],
[
2.086843967437744
],
[
2.082533359527588
],
[
2.0473856925964355
],
[
2.156871795654297
],
[
2.031062364578247
],
[
2.095791816711426
],
[
2.082533359527588
],
[
2.1532413959503174
],
[
2.0473856925964355
],
[
2.1532413959503174
],
[
2.0593678951263428
],
[
2.0593910217285156
],
[
2.119649648666382
],
[
2.031062364578247
],
[
2.1562905311584473
],
[
2.022684097290039
],
[
2.126736640930176
],
[
2.0593678951263428
],
[
2.0542502403259277
],
[
2.150374412536621
],
[
2.0801706314086914
],
[
2.022684097290039
],
[
2.132859945297241
],
[
2.118101119995117
],
[
2.0736799240112305
],
[
2.165717601776123
],
[
2.0542502403259277
],
[
2.0784506797790527
],
[
2.088745594024658
],
[
2.118101119995117
],
[
2.110424041748047
],
[
2.088745594024658
],
[
2.0887866020202637
],
[
2.0962142944335938
],
[
2.110424041748047
],
[
2.113725185394287
],
[
2.0736799240112305
],
[
2.043654441833496
],
[
2.0887866020202637
],
[
2.098132371902466
],
[
2.088752031326294
],
[
2.113725185394287
],
[
2.092521905899048
],
[
2.088752031326294
],
[
2.12917423248291
],
[
2.092521905899048
],
[
2.165717601776123
],
[
2.043654441833496
],
[
2.150374412536621
],
[
2.0784506797790527
],
[
2.0962142944335938
],
[
2.098132371902466
],
[
2.12917423248291
],
[
2.126736640930176
],
[
2.132859945297241
],
[
2.084043025970459
],
[
2.0801706314086914
],
[
2.0593910217285156
],
[
2.104102849960327
],
[
2.095791816711426
],
[
2.1562905311584473
],
[
2.084043025970459
],
[
2.0592074394226074
],
[
2.0784571170806885
],
[
2.142913818359375
],
[
2.086843967437744
],
[
2.119649648666382
],
[
2.104102849960327
],
[
2.145491123199463
],
[
2.0784571170806885
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
8,
19,
19,
20,
20,
21,
21,
22,
22,
23,
22,
2,
21,
6,
18,
9,
18,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
8,
20,
19,
21,
20,
22,
21,
23,
22,
2,
22,
6,
21,
9,
18,
13,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
0,
0,
0,
0,
0
] |
[
[
0,
2,
2,
3,
4,
45,
45,
5,
5,
6,
6,
7,
10,
10,
9,
9,
11,
11,
12,
47,
47,
13,
13,
14,
15,
34,
16,
49,
49,
17,
18,
19,
20,
21,
22,
22,
23,
24,
51,
51,
25,
25,
26,
27,
28,
29,
30,
31,
32,
32,
48,
50,
50,
33,
35,
36,
37,
38,
38,
46,
46,
39,
40,
40,
44,
44,
41,
41,
43,
43
],
[
2,
4,
45,
1,
6,
41,
42,
3,
45,
8,
10,
5,
12,
47,
7,
10,
7,
8,
14,
39,
40,
11,
47,
34,
13,
36,
18,
50,
33,
49,
20,
17,
22,
19,
24,
51,
21,
26,
48,
33,
23,
51,
28,
25,
30,
27,
32,
29,
48,
50,
16,
23,
24,
31,
15,
38,
35,
46,
40,
11,
12,
37,
44,
42,
3,
4,
46,
39,
44,
41
]
] |
[
[
2.028228521347046
],
[
2.0527849197387695
],
[
2.142913818359375
],
[
2.028228521347046
],
[
2.156871795654297
],
[
2.0592074394226074
],
[
2.145491123199463
],
[
2.0527849197387695
],
[
2.086843967437744
],
[
2.082533359527588
],
[
2.0473856925964355
],
[
2.156871795654297
],
[
2.031062364578247
],
[
2.095791816711426
],
[
2.082533359527588
],
[
2.1532413959503174
],
[
2.0473856925964355
],
[
2.1532413959503174
],
[
2.0593678951263428
],
[
2.0593910217285156
],
[
2.119649648666382
],
[
2.031062364578247
],
[
2.1562905311584473
],
[
2.126736640930176
],
[
2.0593678951263428
],
[
2.0801706314086914
],
[
2.118101119995117
],
[
2.0736799240112305
],
[
2.165717601776123
],
[
2.0784506797790527
],
[
2.088745594024658
],
[
2.118101119995117
],
[
2.110424041748047
],
[
2.088745594024658
],
[
2.0887866020202637
],
[
2.0962142944335938
],
[
2.110424041748047
],
[
2.113725185394287
],
[
2.0736799240112305
],
[
2.043654441833496
],
[
2.0887866020202637
],
[
2.098132371902466
],
[
2.088752031326294
],
[
2.113725185394287
],
[
2.092521905899048
],
[
2.088752031326294
],
[
2.12917423248291
],
[
2.092521905899048
],
[
2.165717601776123
],
[
2.043654441833496
],
[
2.0784506797790527
],
[
2.0962142944335938
],
[
2.098132371902466
],
[
2.12917423248291
],
[
2.126736640930176
],
[
2.084043025970459
],
[
2.0801706314086914
],
[
2.0593910217285156
],
[
2.104102849960327
],
[
2.095791816711426
],
[
2.1562905311584473
],
[
2.084043025970459
],
[
2.0592074394226074
],
[
2.0784571170806885
],
[
2.142913818359375
],
[
2.086843967437744
],
[
2.119649648666382
],
[
2.104102849960327
],
[
2.145491123199463
],
[
2.0784571170806885
]
] |
COC1=CC(=O)c2nc(-c3cccc4ccccc34)ccc2C1=O
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
10,
13,
9,
14,
14,
15,
15,
16,
16,
17,
16,
1,
17,
4,
17,
8
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
10,
14,
9,
15,
14,
16,
15,
17,
16,
1,
16,
4,
17,
8,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
6,
0,
3,
5,
2,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
2,
35,
35,
3,
3,
6,
6,
5,
5,
7,
7,
8,
37,
37,
9,
9,
10,
11,
12,
13,
14,
14,
15,
16,
16,
39,
39,
17,
17,
18,
18,
18,
26,
19,
19,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
27,
28,
29,
30,
30,
34,
34,
31,
32,
32,
36,
36,
38,
38,
33,
33
],
[
2,
35,
4,
6,
31,
32,
1,
35,
8,
37,
3,
6,
3,
4,
10,
38,
33,
7,
37,
12,
9,
14,
11,
16,
39,
13,
18,
26,
36,
33,
15,
39,
20,
22,
24,
28,
17,
26,
19,
22,
24,
19,
20,
24,
19,
20,
22,
17,
18,
30,
27,
34,
32,
1,
2,
29,
36,
38,
7,
8,
15,
16,
34,
31
]
] |
[
[
2.193542718887329
],
[
2.180471181869507
],
[
2.26227068901062
],
[
1.8338007926940918
],
[
2.2841551303863525
],
[
1.8948357105255127
],
[
2.193542718887329
],
[
1.9091438055038452
],
[
2.29174542427063
],
[
1.8754512071609497
],
[
2.26227068901062
],
[
2.187086582183838
],
[
1.8338007926940918
],
[
2.187086582183838
],
[
2.0467257499694824
],
[
2.1789920330047607
],
[
1.9115229845046997
],
[
2.29174542427063
],
[
2.115962505340576
],
[
2.1143174171447754
],
[
2.0467257499694824
],
[
2.119936227798462
],
[
2.1143174171447754
],
[
2.3046040534973145
],
[
1.9903851747512817
],
[
2.119936227798462
],
[
2.1072986125946045
],
[
2.1143219470977783
],
[
2.1789920330047607
],
[
2.1926443576812744
],
[
2.3046040534973145
],
[
1.9881681203842163
],
[
1.7887377738952637
],
[
1.906299352645874
],
[
1.9114924669265747
],
[
2.1156129837036133
],
[
2.1072986125946045
],
[
2.061474323272705
],
[
1.7887377738952637
],
[
1.8333169221878052
],
[
1.8610405921936035
],
[
1.906299352645874
],
[
1.8333169221878052
],
[
2.130277633666992
],
[
1.9114924669265747
],
[
1.8610405921936035
],
[
2.130277633666992
],
[
2.1143219470977783
],
[
2.061474323272705
],
[
2.0513622760772705
],
[
2.1156129837036133
],
[
2.2841551303863525
],
[
2.104167938232422
],
[
2.180471181869507
],
[
1.9091438055038452
],
[
2.0513622760772705
],
[
1.9115229845046997
],
[
2.1926443576812744
],
[
1.8754512071609497
],
[
2.115962505340576
],
[
1.9903851747512817
],
[
1.9881681203842163
],
[
1.8948357105255127
],
[
2.104167938232422
]
] |
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
10,
13,
9,
14,
14,
15,
15,
16,
16,
17,
16,
1,
17,
4,
17,
8
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
10,
14,
9,
15,
14,
16,
15,
17,
16,
1,
16,
4,
17,
8,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
2,
35,
35,
3,
3,
6,
6,
5,
5,
7,
7,
8,
37,
37,
9,
9,
10,
11,
12,
13,
14,
14,
15,
16,
16,
39,
39,
17,
17,
18,
18,
18,
26,
19,
19,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
27,
28,
29,
30,
30,
34,
34,
31,
32,
32,
36,
36,
38,
38,
33,
33
],
[
2,
35,
4,
6,
31,
32,
1,
35,
8,
37,
3,
6,
3,
4,
10,
38,
33,
7,
37,
12,
9,
14,
11,
16,
39,
13,
18,
26,
36,
33,
15,
39,
20,
22,
24,
28,
17,
26,
19,
22,
24,
19,
20,
24,
19,
20,
22,
17,
18,
30,
27,
34,
32,
1,
2,
29,
36,
38,
7,
8,
15,
16,
34,
31
]
] |
[
[
2.193542718887329
],
[
2.180471181869507
],
[
2.26227068901062
],
[
1.8338007926940918
],
[
2.2841551303863525
],
[
1.8948357105255127
],
[
2.193542718887329
],
[
1.9091438055038452
],
[
2.29174542427063
],
[
1.8754512071609497
],
[
2.26227068901062
],
[
2.187086582183838
],
[
1.8338007926940918
],
[
2.187086582183838
],
[
2.0467257499694824
],
[
2.1789920330047607
],
[
1.9115229845046997
],
[
2.29174542427063
],
[
2.115962505340576
],
[
2.1143174171447754
],
[
2.0467257499694824
],
[
2.119936227798462
],
[
2.1143174171447754
],
[
2.3046040534973145
],
[
1.9903851747512817
],
[
2.119936227798462
],
[
2.1072986125946045
],
[
2.1143219470977783
],
[
2.1789920330047607
],
[
2.1926443576812744
],
[
2.3046040534973145
],
[
1.9881681203842163
],
[
1.7887377738952637
],
[
1.906299352645874
],
[
1.9114924669265747
],
[
2.1156129837036133
],
[
2.1072986125946045
],
[
2.061474323272705
],
[
1.7887377738952637
],
[
1.8333169221878052
],
[
1.8610405921936035
],
[
1.906299352645874
],
[
1.8333169221878052
],
[
2.130277633666992
],
[
1.9114924669265747
],
[
1.8610405921936035
],
[
2.130277633666992
],
[
2.1143219470977783
],
[
2.061474323272705
],
[
2.0513622760772705
],
[
2.1156129837036133
],
[
2.2841551303863525
],
[
2.104167938232422
],
[
2.180471181869507
],
[
1.9091438055038452
],
[
2.0513622760772705
],
[
1.9115229845046997
],
[
2.1926443576812744
],
[
1.8754512071609497
],
[
2.115962505340576
],
[
1.9903851747512817
],
[
1.9881681203842163
],
[
1.8948357105255127
],
[
2.104167938232422
]
] |
CN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23
|
[
[
0,
1,
1,
2,
2,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
17,
29,
29,
30,
30,
31,
30,
32,
7,
33,
33,
34,
34,
4,
32,
12,
32,
15,
28,
23
],
[
1,
0,
2,
1,
3,
2,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
17,
30,
29,
31,
30,
32,
30,
33,
7,
34,
33,
4,
34,
12,
32,
15,
32,
23,
28
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
6,
6,
3,
3,
5,
7,
7,
8,
69,
9,
9,
10,
11,
12,
12,
13,
14,
64,
15,
15,
16,
17,
18,
18,
19,
22,
22,
21,
21,
23,
23,
24,
71,
71,
25,
25,
26,
27,
28,
28,
29,
30,
73,
73,
31,
31,
32,
32,
33,
34,
34,
34,
56,
35,
35,
40,
37,
37,
37,
39,
39,
39,
41,
41,
41,
42,
43,
44,
44,
45,
46,
75,
47,
47,
48,
49,
50,
51,
52,
53,
54,
74,
74,
55,
57,
57,
58,
58,
59,
62,
62,
61,
61,
70,
70,
72,
72,
63,
63,
65,
65,
66,
68,
68,
67
],
[
2,
6,
4,
8,
69,
1,
6,
3,
1,
2,
10,
67,
7,
69,
12,
9,
14,
64,
11,
16,
66,
13,
64,
18,
15,
20,
22,
17,
24,
71,
19,
22,
19,
20,
26,
72,
63,
23,
71,
28,
25,
30,
73,
27,
32,
70,
63,
29,
73,
34,
56,
31,
36,
38,
40,
58,
33,
56,
42,
35,
38,
40,
35,
36,
40,
35,
36,
38,
44,
41,
46,
75,
43,
48,
55,
45,
75,
50,
47,
52,
49,
54,
51,
74,
45,
46,
53,
33,
34,
60,
62,
57,
70,
72,
59,
62,
23,
24,
29,
30,
59,
60,
13,
14,
68,
7,
8,
65
]
] |
[
[
2.0503897666931152
],
[
1.9239531755447388
],
[
1.9742754697799683
],
[
2.049374580383301
],
[
2.0914011001586914
],
[
2.0503897666931152
],
[
2.307650566101074
],
[
1.9742754697799683
],
[
1.9239531755447388
],
[
2.307650566101074
],
[
1.9256625175476074
],
[
1.9118294715881348
],
[
2.049374580383301
],
[
1.9682838916778564
],
[
1.94814133644104
],
[
1.9256625175476074
],
[
1.9506645202636719
],
[
1.9163401126861572
],
[
1.94814133644104
],
[
1.9554177522659302
],
[
1.9432950019836426
],
[
1.9506645202636719
],
[
1.9186809062957764
],
[
2.15145206451416
],
[
1.9554177522659302
],
[
2.151808261871338
],
[
1.9807345867156982
],
[
2.15145206451416
],
[
1.9893559217453003
],
[
1.9405183792114258
],
[
2.151808261871338
],
[
2.1484947204589844
],
[
1.9807345867156982
],
[
2.1484947204589844
],
[
1.8120176792144775
],
[
1.9692338705062866
],
[
2.17771577835083
],
[
1.9893559217453003
],
[
1.799336552619934
],
[
1.8190354108810425
],
[
1.8120176792144775
],
[
2.0091097354888916
],
[
1.8226351737976074
],
[
1.8190354108810425
],
[
1.9229011535644531
],
[
1.9692338705062866
],
[
2.1095805168151855
],
[
2.0091097354888916
],
[
1.901710033416748
],
[
2.0469398498535156
],
[
2.0453453063964844
],
[
1.9229011535644531
],
[
1.8645522594451904
],
[
1.867347240447998
],
[
1.7890756130218506
],
[
1.9955947399139404
],
[
2.0469398498535156
],
[
2.0568466186523438
],
[
1.9500068426132202
],
[
1.8645522594451904
],
[
2.1169862747192383
],
[
1.9110901355743408
],
[
1.867347240447998
],
[
2.1169862747192383
],
[
1.8865580558776855
],
[
1.7890756130218506
],
[
1.9110901355743408
],
[
1.8865580558776855
],
[
1.9742342233657837
],
[
1.9500068426132202
],
[
2.101490020751953
],
[
2.1057610511779785
],
[
1.9742342233657837
],
[
2.1026601791381836
],
[
2.1033411026000977
],
[
2.101490020751953
],
[
2.075829029083252
],
[
2.0956215858459473
],
[
2.1026601791381836
],
[
2.092705488204956
],
[
2.0956215858459473
],
[
2.0961549282073975
],
[
2.092705488204956
],
[
2.1033411026000977
],
[
2.1057610511779785
],
[
2.075829029083252
],
[
2.0961549282073975
],
[
2.0453453063964844
],
[
2.0568466186523438
],
[
2.1556215286254883
],
[
1.9973149299621582
],
[
1.9955947399139404
],
[
2.17771577835083
],
[
2.1095805168151855
],
[
2.1556215286254883
],
[
2.1300458908081055
],
[
1.9405183792114258
],
[
1.799336552619934
],
[
1.8226351737976074
],
[
1.901710033416748
],
[
1.9973149299621582
],
[
2.1300458908081055
],
[
1.9163401126861572
],
[
1.9186809062957764
],
[
1.9118294715881348
],
[
2.0914011001586914
],
[
1.9682838916778564
],
[
1.9432950019836426
]
] |
[
[
0,
1,
1,
2,
2,
3,
1,
4,
4,
5,
5,
6,
6,
7,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
18,
19,
18,
20,
18,
21,
21,
22,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
17,
29,
29,
30,
30,
31,
30,
32,
7,
33,
33,
34,
34,
4,
32,
12,
32,
15,
28,
23
],
[
1,
0,
2,
1,
3,
2,
4,
1,
5,
4,
6,
5,
7,
6,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
19,
18,
20,
18,
21,
18,
22,
21,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
17,
30,
29,
31,
30,
32,
30,
33,
7,
34,
33,
4,
34,
12,
32,
15,
32,
23,
28
]
] |
[
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
3,
3,
4,
4,
4,
4,
4,
4,
5,
5,
5,
5,
5,
6,
6,
6,
6,
6,
6,
4,
4,
4,
4,
0,
0
] |
[
[
0,
0,
2,
6,
6,
3,
3,
5,
7,
7,
8,
57,
9,
9,
10,
11,
12,
13,
52,
16,
59,
59,
17,
18,
19,
20,
20,
21,
22,
61,
61,
23,
23,
24,
25,
44,
30,
27,
27,
29,
29,
31,
31,
33,
34,
63,
35,
36,
37,
38,
39,
40,
41,
42,
62,
43,
45,
46,
46,
47,
50,
50,
49,
49,
58,
60,
60,
51,
51,
53,
54,
56,
56,
55
],
[
2,
6,
4,
8,
57,
1,
6,
3,
1,
2,
10,
55,
7,
57,
12,
9,
52,
11,
54,
18,
60,
51,
59,
20,
17,
22,
61,
19,
24,
58,
51,
21,
61,
44,
23,
46,
32,
28,
30,
26,
30,
26,
28,
31,
36,
43,
63,
38,
35,
40,
37,
42,
39,
62,
34,
41,
25,
48,
50,
45,
58,
60,
47,
50,
16,
21,
22,
47,
48,
13,
56,
7,
8,
53
]
] |
[
[
2.0503897666931152
],
[
1.9239531755447388
],
[
1.9742754697799683
],
[
2.049374580383301
],
[
2.0914011001586914
],
[
2.0503897666931152
],
[
2.307650566101074
],
[
1.9742754697799683
],
[
1.9239531755447388
],
[
2.307650566101074
],
[
1.9256625175476074
],
[
1.9118294715881348
],
[
2.049374580383301
],
[
1.9682838916778564
],
[
1.94814133644104
],
[
1.9256625175476074
],
[
1.9163401126861572
],
[
1.94814133644104
],
[
1.9432950019836426
],
[
1.8120176792144775
],
[
1.9692338705062866
],
[
2.17771577835083
],
[
1.799336552619934
],
[
1.8190354108810425
],
[
1.8120176792144775
],
[
2.0091097354888916
],
[
1.8226351737976074
],
[
1.8190354108810425
],
[
1.9229011535644531
],
[
1.9692338705062866
],
[
2.1095805168151855
],
[
2.0091097354888916
],
[
1.901710033416748
],
[
2.0453453063964844
],
[
1.9229011535644531
],
[
1.9955947399139404
],
[
1.9500068426132202
],
[
2.1169862747192383
],
[
1.9110901355743408
],
[
2.1169862747192383
],
[
1.8865580558776855
],
[
1.9110901355743408
],
[
1.8865580558776855
],
[
1.9500068426132202
],
[
2.1026601791381836
],
[
2.1033411026000977
],
[
2.075829029083252
],
[
2.0956215858459473
],
[
2.1026601791381836
],
[
2.092705488204956
],
[
2.0956215858459473
],
[
2.0961549282073975
],
[
2.092705488204956
],
[
2.1033411026000977
],
[
2.075829029083252
],
[
2.0961549282073975
],
[
2.0453453063964844
],
[
2.1556215286254883
],
[
1.9973149299621582
],
[
1.9955947399139404
],
[
2.17771577835083
],
[
2.1095805168151855
],
[
2.1556215286254883
],
[
2.1300458908081055
],
[
1.799336552619934
],
[
1.8226351737976074
],
[
1.901710033416748
],
[
1.9973149299621582
],
[
2.1300458908081055
],
[
1.9163401126861572
],
[
1.9118294715881348
],
[
2.0914011001586914
],
[
1.9682838916778564
],
[
1.9432950019836426
]
] |
NC(=NO)N1CCC(CNC(=O)C2CCC3CN(S(=O)(=O)CCc4ccccc4)CC(=O)N32)CC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
19,
20,
19,
21,
9,
22,
22,
23,
23,
24,
23,
25,
22,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
26,
34,
34,
35,
35,
5,
34,
8,
21,
14,
33,
28
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
19,
21,
19,
22,
9,
23,
22,
24,
23,
25,
23,
26,
22,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
26,
35,
34,
5,
35,
8,
34,
14,
21,
28,
33
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
71,
11,
11,
12,
13,
14,
14,
15,
16,
16,
73,
73,
17,
17,
18,
18,
42,
42,
19,
19,
22,
21,
21,
23,
23,
24,
25,
26,
26,
27,
28,
75,
29,
29,
30,
31,
32,
32,
33,
36,
36,
35,
35,
37,
37,
40,
39,
39,
74,
74,
41,
41,
43,
43,
44,
44,
50,
50,
45,
45,
47,
47,
49,
49,
51,
51,
52,
66,
66,
53,
53,
54,
54,
55,
56,
77,
57,
57,
58,
59,
60,
61,
62,
63,
64,
76,
76,
65,
72,
72,
67,
67,
68,
70,
70,
69,
69
],
[
2,
4,
1,
6,
8,
3,
10,
71,
5,
8,
5,
6,
12,
69,
9,
71,
14,
11,
16,
73,
13,
18,
42,
67,
68,
15,
73,
20,
22,
44,
50,
17,
42,
24,
19,
22,
19,
20,
26,
23,
28,
75,
25,
30,
41,
27,
75,
32,
29,
34,
36,
31,
38,
40,
33,
36,
33,
34,
74,
37,
40,
27,
28,
37,
38,
17,
18,
46,
48,
52,
66,
43,
50,
45,
48,
45,
46,
43,
44,
54,
72,
68,
51,
66,
56,
77,
53,
58,
65,
55,
77,
60,
57,
62,
59,
64,
61,
76,
55,
56,
63,
15,
16,
51,
52,
70,
9,
10,
72,
67
]
] |
[
[
1.9207494258880615
],
[
2.021620273590088
],
[
1.9207494258880615
],
[
2.1982779502868652
],
[
1.9293441772460938
],
[
2.021620273590088
],
[
2.1334874629974365
],
[
2.0538508892059326
],
[
2.1982779502868652
],
[
2.1554949283599854
],
[
1.9293441772460938
],
[
2.1554949283599854
],
[
2.1038787364959717
],
[
2.0733039379119873
],
[
2.1334874629974365
],
[
2.0957765579223633
],
[
2.097177028656006
],
[
2.1038787364959717
],
[
2.337130069732666
],
[
2.068148612976074
],
[
2.097177028656006
],
[
2.199263334274292
],
[
1.8794903755187988
],
[
1.8722054958343506
],
[
2.1275248527526855
],
[
2.337130069732666
],
[
1.877713918685913
],
[
2.148948907852173
],
[
1.981184720993042
],
[
2.279411792755127
],
[
1.865670084953308
],
[
2.199263334274292
],
[
2.204380989074707
],
[
2.127901077270508
],
[
2.148948907852173
],
[
2.1530208587646484
],
[
1.981184720993042
],
[
2.1530208587646484
],
[
1.9282751083374023
],
[
2.127901077270508
],
[
2.0975944995880127
],
[
2.106961727142334
],
[
1.9282751083374023
],
[
2.1055240631103516
],
[
2.0930278301239014
],
[
2.0975944995880127
],
[
2.0777440071105957
],
[
2.0857627391815186
],
[
2.1055240631103516
],
[
2.0839667320251465
],
[
2.1006765365600586
],
[
2.0857627391815186
],
[
2.0991721153259277
],
[
2.1034889221191406
],
[
2.0839667320251465
],
[
2.098501205444336
],
[
2.1006765365600586
],
[
2.098501205444336
],
[
2.0930278301239014
],
[
2.0991721153259277
],
[
2.0804920196533203
],
[
2.106961727142334
],
[
2.0777440071105957
],
[
2.1034889221191406
],
[
2.0804920196533203
],
[
1.8794903755187988
],
[
2.204380989074707
],
[
1.9439222812652588
],
[
1.9716020822525024
],
[
2.207279682159424
],
[
1.9280349016189575
],
[
2.279411792755127
],
[
2.1380646228790283
],
[
1.9439222812652588
],
[
1.947738766670227
],
[
1.9716020822525024
],
[
1.947738766670227
],
[
1.865670084953308
],
[
2.1380646228790283
],
[
1.9842134714126587
],
[
1.8722054958343506
],
[
2.283285617828369
],
[
2.207279682159424
],
[
2.145758628845215
],
[
2.1375603675842285
],
[
2.0778565406799316
],
[
1.9842134714126587
],
[
2.106639862060547
],
[
2.108302354812622
],
[
2.1375603675842285
],
[
2.066547393798828
],
[
2.0966739654541016
],
[
2.106639862060547
],
[
2.092432975769043
],
[
2.0966739654541016
],
[
2.0953891277313232
],
[
2.092432975769043
],
[
2.108302354812622
],
[
2.0778565406799316
],
[
2.066547393798828
],
[
2.0953891277313232
],
[
2.068148612976074
],
[
1.877713918685913
],
[
1.9280349016189575
],
[
2.145758628845215
],
[
2.0733039379119873
],
[
2.0538508892059326
],
[
2.0957765579223633
],
[
2.1275248527526855
],
[
2.283285617828369
]
] |
[
[
0,
1,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
19,
20,
19,
21,
9,
22,
23,
24,
23,
25,
22,
26,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
26,
34,
34,
35,
35,
5,
34,
8,
21,
14,
33,
28
],
[
1,
0,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
19,
21,
19,
22,
9,
24,
23,
25,
23,
26,
22,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
26,
35,
34,
5,
35,
8,
34,
14,
21,
28,
33
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
4,
4,
5,
6,
7,
7,
7,
7,
7,
7,
7,
7,
3,
8,
8,
8,
3,
9,
10,
10,
10,
10,
10,
10,
3,
3
] |
[
[
4,
51,
5,
6,
7,
8,
8,
9,
10,
53,
53,
11,
11,
28,
14,
55,
15,
16,
17,
18,
18,
19,
22,
22,
21,
21,
23,
23,
26,
25,
25,
54,
27,
27,
29,
34,
31,
33,
35,
46,
46,
36,
57,
37,
38,
39,
40,
41,
42,
43,
44,
56,
45,
52,
52,
47,
48,
50,
49,
49
],
[
6,
49,
51,
8,
5,
10,
53,
7,
28,
47,
48,
9,
53,
34,
16,
27,
55,
18,
15,
20,
22,
17,
24,
26,
19,
22,
19,
20,
54,
23,
26,
14,
23,
24,
11,
46,
32,
30,
29,
52,
48,
38,
45,
57,
40,
37,
42,
39,
44,
41,
56,
36,
43,
9,
10,
35,
50,
4,
52,
47
]
] |
[
[
2.1038787364959717
],
[
2.0733039379119873
],
[
2.0957765579223633
],
[
2.097177028656006
],
[
2.1038787364959717
],
[
2.337130069732666
],
[
2.068148612976074
],
[
2.097177028656006
],
[
1.8794903755187988
],
[
1.8722054958343506
],
[
2.1275248527526855
],
[
2.337130069732666
],
[
1.877713918685913
],
[
1.865670084953308
],
[
2.1055240631103516
],
[
2.0930278301239014
],
[
2.0777440071105957
],
[
2.0857627391815186
],
[
2.1055240631103516
],
[
2.0839667320251465
],
[
2.1006765365600586
],
[
2.0857627391815186
],
[
2.0991721153259277
],
[
2.1034889221191406
],
[
2.0839667320251465
],
[
2.098501205444336
],
[
2.1006765365600586
],
[
2.098501205444336
],
[
2.0930278301239014
],
[
2.0991721153259277
],
[
2.0804920196533203
],
[
2.0777440071105957
],
[
2.1034889221191406
],
[
2.0804920196533203
],
[
1.8794903755187988
],
[
1.9280349016189575
],
[
1.947738766670227
],
[
1.947738766670227
],
[
1.865670084953308
],
[
1.8722054958343506
],
[
2.283285617828369
],
[
2.106639862060547
],
[
2.108302354812622
],
[
2.066547393798828
],
[
2.0966739654541016
],
[
2.106639862060547
],
[
2.092432975769043
],
[
2.0966739654541016
],
[
2.0953891277313232
],
[
2.092432975769043
],
[
2.108302354812622
],
[
2.066547393798828
],
[
2.0953891277313232
],
[
2.068148612976074
],
[
1.877713918685913
],
[
1.9280349016189575
],
[
2.0733039379119873
],
[
2.0957765579223633
],
[
2.1275248527526855
],
[
2.283285617828369
]
] |
CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
2,
10,
4,
18,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
18,
20,
19,
2,
19,
4,
10,
12,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
4,
41,
41,
5,
5,
6,
6,
20,
7,
7,
8,
43,
9,
9,
10,
11,
12,
12,
13,
16,
15,
15,
17,
17,
18,
42,
42,
19,
21,
21,
22,
22,
23,
24,
45,
45,
25,
25,
26,
26,
27,
30,
29,
29,
31,
31,
32,
33,
34,
34,
44,
44,
35,
36,
36,
40,
40,
37,
37,
39,
39
],
[
2,
4,
41,
1,
6,
20,
37,
38,
3,
41,
8,
43,
22,
5,
20,
10,
19,
7,
43,
12,
9,
14,
16,
11,
18,
13,
16,
13,
14,
42,
7,
8,
17,
5,
6,
24,
45,
21,
26,
35,
36,
23,
45,
28,
30,
25,
32,
27,
30,
27,
28,
34,
31,
44,
36,
23,
24,
33,
40,
38,
3,
4,
44,
35,
40,
37
]
] |
[
[
1.994704246520996
],
[
2.1168580055236816
],
[
2.112734794616699
],
[
1.994704246520996
],
[
2.1404175758361816
],
[
2.18159818649292
],
[
2.0390098094940186
],
[
2.1500463485717773
],
[
2.1168580055236816
],
[
2.0530381202697754
],
[
2.120777130126953
],
[
2.090568780899048
],
[
2.073545217514038
],
[
2.1404175758361816
],
[
1.960817813873291
],
[
2.1079108715057373
],
[
2.1048994064331055
],
[
2.120777130126953
],
[
2.0713930130004883
],
[
2.0845117568969727
],
[
2.1079108715057373
],
[
2.1194369792938232
],
[
2.108193874359131
],
[
2.0845117568969727
],
[
2.0893192291259766
],
[
2.1194369792938232
],
[
2.055527687072754
],
[
2.108193874359131
],
[
2.055527687072754
],
[
2.1048994064331055
],
[
2.090568780899048
],
[
2.0713930130004883
],
[
2.0893192291259766
],
[
2.18159818649292
],
[
1.960817813873291
],
[
2.042955160140991
],
[
2.142350673675537
],
[
2.073545217514038
],
[
2.086735486984253
],
[
2.098651885986328
],
[
2.0760366916656494
],
[
2.042955160140991
],
[
2.0978541374206543
],
[
2.089710235595703
],
[
2.1040568351745605
],
[
2.086735486984253
],
[
2.0895943641662598
],
[
2.089710235595703
],
[
2.0893948078155518
],
[
2.1040568351745605
],
[
2.0893948078155518
],
[
2.089428186416626
],
[
2.0895943641662598
],
[
2.098651885986328
],
[
2.1084723472595215
],
[
2.142350673675537
],
[
2.0978541374206543
],
[
2.089428186416626
],
[
2.0390098094940186
],
[
2.0941004753112793
],
[
2.112734794616699
],
[
2.0530381202697754
],
[
2.0760366916656494
],
[
2.1084723472595215
],
[
2.1500463485717773
],
[
2.0941004753112793
]
] |
[
[
0,
1,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
3,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
2,
10,
4,
18,
12
],
[
1,
0,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
3,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
18,
20,
19,
2,
19,
4,
10,
12,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
2,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] |
[
[
2,
37,
37,
3,
16,
4,
39,
5,
6,
7,
8,
8,
9,
12,
11,
11,
13,
13,
14,
38,
15,
17,
18,
18,
19,
20,
41,
41,
21,
21,
22,
22,
23,
26,
25,
25,
27,
27,
28,
29,
30,
30,
40,
40,
31,
32,
32,
36,
33,
33,
35,
35
],
[
16,
33,
34,
37,
18,
6,
15,
39,
8,
5,
10,
12,
7,
14,
9,
12,
9,
10,
38,
4,
13,
3,
20,
41,
17,
22,
31,
32,
19,
41,
24,
26,
21,
28,
23,
26,
23,
24,
30,
27,
40,
32,
19,
20,
29,
36,
34,
2,
40,
31,
36,
33
]
] |
[
[
2.18159818649292
],
[
2.0390098094940186
],
[
2.1500463485717773
],
[
2.0530381202697754
],
[
2.073545217514038
],
[
2.1079108715057373
],
[
2.1048994064331055
],
[
2.0713930130004883
],
[
2.0845117568969727
],
[
2.1079108715057373
],
[
2.1194369792938232
],
[
2.108193874359131
],
[
2.0845117568969727
],
[
2.0893192291259766
],
[
2.1194369792938232
],
[
2.055527687072754
],
[
2.108193874359131
],
[
2.055527687072754
],
[
2.1048994064331055
],
[
2.0713930130004883
],
[
2.0893192291259766
],
[
2.18159818649292
],
[
2.042955160140991
],
[
2.142350673675537
],
[
2.073545217514038
],
[
2.086735486984253
],
[
2.098651885986328
],
[
2.0760366916656494
],
[
2.042955160140991
],
[
2.0978541374206543
],
[
2.089710235595703
],
[
2.1040568351745605
],
[
2.086735486984253
],
[
2.0895943641662598
],
[
2.089710235595703
],
[
2.0893948078155518
],
[
2.1040568351745605
],
[
2.0893948078155518
],
[
2.089428186416626
],
[
2.0895943641662598
],
[
2.098651885986328
],
[
2.1084723472595215
],
[
2.142350673675537
],
[
2.0978541374206543
],
[
2.089428186416626
],
[
2.0390098094940186
],
[
2.0941004753112793
],
[
2.0530381202697754
],
[
2.0760366916656494
],
[
2.1084723472595215
],
[
2.1500463485717773
],
[
2.0941004753112793
]
] |
COc1c(-c2ccc(O)cc2)oc2cc(Cl)ccc2c1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
4,
22,
22,
23,
23,
1,
21,
6,
20,
9,
19,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
4,
23,
22,
1,
23,
6,
21,
9,
20,
12,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
47,
3,
3,
4,
5,
6,
6,
7,
8,
42,
9,
9,
10,
10,
11,
12,
49,
13,
13,
14,
15,
16,
16,
17,
18,
51,
51,
19,
19,
20,
21,
22,
22,
23,
24,
24,
53,
53,
25,
25,
28,
27,
27,
29,
29,
30,
30,
31,
34,
33,
33,
35,
35,
36,
36,
52,
52,
37,
38,
38,
50,
50,
39,
39,
40,
48,
48,
41,
41,
43,
43,
44,
46,
46,
45
],
[
2,
47,
4,
45,
1,
47,
6,
3,
8,
42,
5,
10,
44,
7,
42,
12,
49,
9,
14,
41,
11,
49,
16,
13,
18,
51,
15,
20,
39,
40,
17,
51,
22,
19,
24,
53,
21,
26,
28,
37,
38,
23,
53,
30,
25,
28,
25,
26,
32,
34,
29,
36,
31,
34,
31,
32,
52,
38,
23,
24,
35,
50,
40,
17,
18,
52,
37,
48,
11,
12,
50,
39,
7,
8,
46,
1,
2,
43
]
] |
[
[
2.1023740768432617
],
[
2.101973533630371
],
[
2.103416919708252
],
[
2.1023175716400146
],
[
2.1023740768432617
],
[
2.0779147148132324
],
[
2.1033921241760254
],
[
2.103416919708252
],
[
2.1055774688720703
],
[
2.074349880218506
],
[
2.1033921241760254
],
[
1.972360610961914
],
[
2.104763984680176
],
[
2.1055774688720703
],
[
2.103233575820923
],
[
1.9588966369628906
],
[
1.9505256414413452
],
[
1.972360610961914
],
[
2.006002426147461
],
[
1.9799202680587769
],
[
1.9588966369628906
],
[
1.8829795122146606
],
[
1.9847902059555054
],
[
2.006002426147461
],
[
2.039538860321045
],
[
2.1372954845428467
],
[
1.9847902059555054
],
[
2.097598075866699
],
[
2.0635101795196533
],
[
2.0881567001342773
],
[
2.039538860321045
],
[
2.1056666374206543
],
[
2.106071949005127
],
[
2.097598075866699
],
[
2.1500349044799805
],
[
2.05656099319458
],
[
2.106071949005127
],
[
2.0988638401031494
],
[
2.0681073665618896
],
[
2.1049273014068604
],
[
2.136326313018799
],
[
2.1500349044799805
],
[
2.0765647888183594
],
[
2.1547913551330566
],
[
2.0988638401031494
],
[
2.116189956665039
],
[
2.0681073665618896
],
[
2.116189956665039
],
[
2.10955810546875
],
[
2.0368549823760986
],
[
2.1547913551330566
],
[
2.1250648498535156
],
[
2.10955810546875
],
[
2.136746406555176
],
[
2.0368549823760986
],
[
2.136746406555176
],
[
2.1049273014068604
],
[
2.0419070720672607
],
[
2.05656099319458
],
[
2.0765647888183594
],
[
2.1250648498535156
],
[
2.0635101795196533
],
[
2.1309814453125
],
[
2.1372954845428467
],
[
2.1056666374206543
],
[
2.136326313018799
],
[
2.0419070720672607
],
[
1.9799202680587769
],
[
1.9505256414413452
],
[
1.8829795122146606
],
[
2.0881567001342773
],
[
2.1309814453125
],
[
2.074349880218506
],
[
2.103233575820923
],
[
2.1023175716400146
],
[
2.101973533630371
],
[
2.0779147148132324
],
[
2.104763984680176
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
4,
22,
22,
23,
23,
1,
21,
6,
20,
9,
19,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
4,
23,
22,
1,
23,
6,
21,
9,
20,
12,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
0,
0
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
38,
8,
45,
9,
10,
11,
12,
12,
13,
14,
47,
47,
15,
15,
16,
17,
18,
18,
19,
20,
20,
49,
49,
21,
21,
24,
23,
23,
25,
25,
26,
26,
27,
30,
29,
29,
31,
31,
32,
32,
48,
48,
33,
34,
34,
46,
46,
35,
35,
36,
44,
37,
37,
39,
40,
42,
42,
41
],
[
2,
43,
4,
41,
1,
43,
6,
3,
38,
5,
40,
10,
37,
45,
12,
9,
14,
47,
11,
16,
35,
36,
13,
47,
18,
15,
20,
49,
17,
22,
24,
33,
34,
19,
49,
26,
21,
24,
21,
22,
28,
30,
25,
32,
27,
30,
27,
28,
48,
34,
19,
20,
31,
46,
36,
13,
14,
48,
33,
44,
8,
46,
35,
7,
42,
1,
2,
39
]
] |
[
[
2.1023740768432617
],
[
2.101973533630371
],
[
2.103416919708252
],
[
2.1023175716400146
],
[
2.1023740768432617
],
[
2.0779147148132324
],
[
2.1033921241760254
],
[
2.103416919708252
],
[
2.074349880218506
],
[
2.1033921241760254
],
[
2.104763984680176
],
[
2.006002426147461
],
[
1.9799202680587769
],
[
1.8829795122146606
],
[
1.9847902059555054
],
[
2.006002426147461
],
[
2.039538860321045
],
[
2.1372954845428467
],
[
1.9847902059555054
],
[
2.097598075866699
],
[
2.0635101795196533
],
[
2.0881567001342773
],
[
2.039538860321045
],
[
2.1056666374206543
],
[
2.106071949005127
],
[
2.097598075866699
],
[
2.1500349044799805
],
[
2.05656099319458
],
[
2.106071949005127
],
[
2.0988638401031494
],
[
2.0681073665618896
],
[
2.1049273014068604
],
[
2.136326313018799
],
[
2.1500349044799805
],
[
2.0765647888183594
],
[
2.1547913551330566
],
[
2.0988638401031494
],
[
2.116189956665039
],
[
2.0681073665618896
],
[
2.116189956665039
],
[
2.10955810546875
],
[
2.0368549823760986
],
[
2.1547913551330566
],
[
2.1250648498535156
],
[
2.10955810546875
],
[
2.136746406555176
],
[
2.0368549823760986
],
[
2.136746406555176
],
[
2.1049273014068604
],
[
2.0419070720672607
],
[
2.05656099319458
],
[
2.0765647888183594
],
[
2.1250648498535156
],
[
2.0635101795196533
],
[
2.1309814453125
],
[
2.1372954845428467
],
[
2.1056666374206543
],
[
2.136326313018799
],
[
2.0419070720672607
],
[
1.9799202680587769
],
[
1.8829795122146606
],
[
2.0881567001342773
],
[
2.1309814453125
],
[
2.074349880218506
],
[
2.1023175716400146
],
[
2.101973533630371
],
[
2.0779147148132324
],
[
2.104763984680176
]
] |
Cc1ccc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1
|
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
16,
17,
17,
10
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
17,
16,
10,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
0,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
9,
10,
11,
12,
12,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
35,
21,
21,
22,
22,
23,
26,
26,
25,
25,
27,
27,
30,
29,
29,
31,
31,
32,
34,
34,
33
],
[
2,
4,
6,
8,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
7,
12,
9,
14,
16,
11,
18,
13,
16,
13,
14,
20,
35,
17,
22,
33,
19,
35,
24,
26,
21,
28,
30,
23,
26,
23,
24,
32,
27,
30,
27,
28,
34,
19,
20,
31
]
] |
[
[
1.8771438598632812
],
[
1.8793865442276
],
[
1.7975194454193115
],
[
1.9820728302001953
],
[
1.8771438598632812
],
[
2.1112828254699707
],
[
1.88338303565979
],
[
1.8793865442276
],
[
2.1112828254699707
],
[
1.890187382698059
],
[
1.7975194454193115
],
[
1.88338303565979
],
[
1.890187382698059
],
[
1.9870277643203735
],
[
1.9820728302001953
],
[
1.9634346961975098
],
[
1.9870277643203735
],
[
2.1356260776519775
],
[
1.9488301277160645
],
[
1.9634346961975098
],
[
2.240551710128784
],
[
2.1356260776519775
],
[
2.198540210723877
],
[
1.9488301277160645
],
[
2.198540210723877
],
[
2.173320770263672
],
[
1.9747012853622437
],
[
2.240551710128784
],
[
2.070580005645752
],
[
2.054701805114746
],
[
2.173320770263672
],
[
2.1351375579833984
],
[
2.0563015937805176
],
[
2.0972046852111816
],
[
2.070580005645752
],
[
2.159133195877075
],
[
2.0427167415618896
],
[
2.0563015937805176
],
[
2.129655599594116
],
[
2.0972046852111816
],
[
2.129655599594116
],
[
2.165977954864502
],
[
2.159133195877075
],
[
2.0813121795654297
],
[
2.0427167415618896
],
[
2.0813121795654297
],
[
2.054701805114746
],
[
1.9747012853622437
],
[
2.1351375579833984
],
[
2.165977954864502
]
] |
[
[
0,
1,
1,
2,
1,
3,
1,
4,
4,
5,
5,
6,
6,
7,
7,
8,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
16,
17,
17,
10
],
[
1,
0,
2,
1,
3,
1,
4,
1,
5,
4,
6,
5,
7,
6,
8,
7,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
17,
16,
10,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2
] |
[
[
0,
0,
0,
6,
3,
3,
3,
5,
5,
5,
7,
7,
7,
8,
9,
10,
11,
12,
13,
15,
16,
31,
17,
18,
18,
19,
22,
22,
21,
21,
23,
23,
26,
25,
25,
27,
27,
28,
30,
29
],
[
2,
4,
6,
8,
1,
4,
6,
1,
2,
6,
1,
2,
4,
10,
7,
12,
9,
14,
11,
13,
18,
29,
31,
20,
22,
17,
24,
26,
19,
22,
19,
20,
28,
23,
26,
23,
24,
30,
16,
27
]
] |
[
[
1.8771438598632812
],
[
1.8793865442276
],
[
1.7975194454193115
],
[
1.9820728302001953
],
[
1.8771438598632812
],
[
2.1112828254699707
],
[
1.88338303565979
],
[
1.8793865442276
],
[
2.1112828254699707
],
[
1.890187382698059
],
[
1.7975194454193115
],
[
1.88338303565979
],
[
1.890187382698059
],
[
1.9870277643203735
],
[
1.9820728302001953
],
[
1.9634346961975098
],
[
1.9870277643203735
],
[
2.1356260776519775
],
[
1.9634346961975098
],
[
2.1356260776519775
],
[
2.070580005645752
],
[
2.054701805114746
],
[
2.1351375579833984
],
[
2.0563015937805176
],
[
2.0972046852111816
],
[
2.070580005645752
],
[
2.159133195877075
],
[
2.0427167415618896
],
[
2.0563015937805176
],
[
2.129655599594116
],
[
2.0972046852111816
],
[
2.129655599594116
],
[
2.165977954864502
],
[
2.159133195877075
],
[
2.0813121795654297
],
[
2.0427167415618896
],
[
2.0813121795654297
],
[
2.054701805114746
],
[
2.1351375579833984
],
[
2.165977954864502
]
] |
CS(=O)(=O)CCCC(=O)Nc1cc(Cl)c(Cl)cn1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
10,
13,
3,
14,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
25,
27,
16,
1,
27,
20,
9,
4
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
10,
14,
3,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
25,
1,
16,
20,
27,
4,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
55,
55,
3,
3,
4,
4,
5,
6,
6,
26,
7,
7,
8,
59,
59,
9,
9,
10,
11,
12,
13,
14,
15,
16,
16,
58,
58,
17,
18,
18,
18,
19,
19,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
27,
28,
29,
30,
30,
54,
54,
31,
32,
32,
32,
33,
33,
38,
38,
35,
35,
35,
37,
37,
37,
39,
39,
39,
40,
57,
41,
41,
42,
43,
44,
44,
45,
48,
48,
47,
47,
49,
49,
52,
51,
51,
56,
56,
53,
53
],
[
2,
55,
4,
31,
32,
1,
55,
6,
26,
3,
8,
59,
28,
5,
26,
10,
17,
18,
7,
59,
12,
9,
14,
11,
16,
13,
58,
18,
7,
8,
15,
20,
22,
24,
58,
17,
19,
22,
24,
19,
20,
24,
19,
20,
22,
5,
6,
30,
27,
54,
32,
1,
2,
29,
34,
36,
38,
54,
31,
40,
57,
33,
36,
38,
33,
34,
38,
33,
34,
36,
42,
53,
39,
57,
44,
41,
46,
48,
43,
50,
52,
45,
48,
45,
46,
56,
49,
52,
39,
40,
49,
50
]
] |
[
[
1.960066318511963
],
[
1.910527229309082
],
[
1.9269262552261353
],
[
1.9506285190582275
],
[
1.9894282817840576
],
[
1.960066318511963
],
[
1.9512035846710205
],
[
1.9734883308410645
],
[
1.9618457555770874
],
[
1.9269262552261353
],
[
2.1270532608032227
],
[
2.0821328163146973
],
[
1.9257782697677612
],
[
1.9734883308410645
],
[
1.9724056720733643
],
[
2.1143932342529297
],
[
2.0846259593963623
],
[
2.106289863586426
],
[
2.1270532608032227
],
[
2.073974370956421
],
[
2.0935118198394775
],
[
2.1143932342529297
],
[
2.089885711669922
],
[
2.0935118198394775
],
[
2.1099295616149902
],
[
2.089885711669922
],
[
2.0846259593963623
],
[
2.0922412872314453
],
[
2.0821328163146973
],
[
2.073974370956421
],
[
2.1099295616149902
],
[
1.9815444946289062
],
[
1.9832262992858887
],
[
1.969700574874878
],
[
2.106289863586426
],
[
2.0922412872314453
],
[
1.9815444946289062
],
[
1.8555879592895508
],
[
1.8301773071289062
],
[
1.9832262992858887
],
[
1.8555879592895508
],
[
1.8294868469238281
],
[
1.969700574874878
],
[
1.8301773071289062
],
[
1.8294868469238281
],
[
1.9618457555770874
],
[
1.9724056720733643
],
[
1.9778099060058594
],
[
1.9257782697677612
],
[
1.9506285190582275
],
[
2.022599935531616
],
[
1.910527229309082
],
[
1.9512035846710205
],
[
1.9778099060058594
],
[
1.8851286172866821
],
[
1.8962310552597046
],
[
1.7879869937896729
],
[
1.9894282817840576
],
[
2.022599935531616
],
[
2.0749690532684326
],
[
2.097029209136963
],
[
1.8851286172866821
],
[
2.116140127182007
],
[
1.8901764154434204
],
[
1.8962310552597046
],
[
2.116140127182007
],
[
1.8606144189834595
],
[
1.7879869937896729
],
[
1.8901764154434204
],
[
1.8606144189834595
],
[
2.0845658779144287
],
[
2.0832676887512207
],
[
2.0749690532684326
],
[
2.111111879348755
],
[
2.0972113609313965
],
[
2.0845658779144287
],
[
2.0532186031341553
],
[
2.0938169956207275
],
[
2.0972113609313965
],
[
2.135033130645752
],
[
2.0963022708892822
],
[
2.0532186031341553
],
[
2.1361262798309326
],
[
2.0938169956207275
],
[
2.1361262798309326
],
[
2.0832676887512207
],
[
2.135033130645752
],
[
2.0518224239349365
],
[
2.097029209136963
],
[
2.111111879348755
],
[
2.0963022708892822
],
[
2.0518224239349365
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
10,
11,
10,
12,
10,
13,
3,
14,
14,
15,
15,
16,
17,
18,
17,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
25,
27,
16,
1,
27,
20,
9,
4
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
11,
10,
12,
10,
13,
10,
14,
3,
15,
14,
16,
15,
18,
17,
19,
17,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
25,
1,
16,
20,
27,
4,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
0,
0,
0,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3
] |
[
[
0,
0,
2,
49,
3,
3,
4,
5,
22,
6,
53,
7,
8,
9,
10,
11,
12,
13,
14,
52,
15,
17,
17,
19,
19,
21,
21,
23,
24,
25,
26,
48,
48,
27,
32,
32,
29,
29,
31,
31,
33,
33,
34,
51,
35,
35,
36,
37,
38,
38,
39,
42,
42,
41,
41,
43,
43,
46,
45,
45,
50,
50,
47,
47
],
[
2,
49,
4,
27,
1,
49,
22,
3,
24,
8,
15,
53,
10,
7,
12,
9,
14,
11,
52,
6,
13,
18,
20,
16,
20,
16,
18,
5,
26,
23,
48,
1,
2,
25,
34,
51,
30,
32,
28,
32,
28,
30,
36,
47,
33,
51,
38,
35,
40,
42,
37,
44,
46,
39,
42,
39,
40,
50,
43,
46,
33,
34,
43,
44
]
] |
[
[
1.960066318511963
],
[
1.910527229309082
],
[
1.9269262552261353
],
[
1.9506285190582275
],
[
1.960066318511963
],
[
1.9512035846710205
],
[
1.9618457555770874
],
[
1.9269262552261353
],
[
1.9257782697677612
],
[
2.1143932342529297
],
[
2.0846259593963623
],
[
2.073974370956421
],
[
2.0935118198394775
],
[
2.1143932342529297
],
[
2.089885711669922
],
[
2.0935118198394775
],
[
2.1099295616149902
],
[
2.089885711669922
],
[
2.0846259593963623
],
[
2.073974370956421
],
[
2.1099295616149902
],
[
1.8555879592895508
],
[
1.8301773071289062
],
[
1.8555879592895508
],
[
1.8294868469238281
],
[
1.8301773071289062
],
[
1.8294868469238281
],
[
1.9618457555770874
],
[
1.9778099060058594
],
[
1.9257782697677612
],
[
1.9506285190582275
],
[
1.910527229309082
],
[
1.9512035846710205
],
[
1.9778099060058594
],
[
2.0749690532684326
],
[
2.097029209136963
],
[
2.116140127182007
],
[
1.8901764154434204
],
[
2.116140127182007
],
[
1.8606144189834595
],
[
1.8901764154434204
],
[
1.8606144189834595
],
[
2.0845658779144287
],
[
2.0832676887512207
],
[
2.0749690532684326
],
[
2.111111879348755
],
[
2.0972113609313965
],
[
2.0845658779144287
],
[
2.0532186031341553
],
[
2.0938169956207275
],
[
2.0972113609313965
],
[
2.135033130645752
],
[
2.0963022708892822
],
[
2.0532186031341553
],
[
2.1361262798309326
],
[
2.0938169956207275
],
[
2.1361262798309326
],
[
2.0832676887512207
],
[
2.135033130645752
],
[
2.0518224239349365
],
[
2.097029209136963
],
[
2.111111879348755
],
[
2.0963022708892822
],
[
2.0518224239349365
]
] |
CC1CN(c2ccccc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
14,
22,
8,
23,
23,
4,
22,
9,
21,
16
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
14,
23,
8,
4,
23,
9,
22,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
6,
7,
8,
47,
9,
9,
10,
11,
12,
13,
14,
14,
15,
16,
16,
44,
17,
17,
18,
49,
19,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
26,
27,
28,
42,
29,
29,
30,
30,
31,
32,
51,
33,
33,
34,
35,
36,
37,
38,
39,
40,
50,
50,
41,
48,
48,
43,
43,
46,
46,
45,
45
],
[
2,
4,
6,
1,
4,
1,
2,
8,
47,
5,
10,
45,
7,
47,
12,
9,
14,
11,
16,
44,
13,
18,
49,
46,
15,
44,
20,
43,
17,
49,
22,
24,
19,
26,
21,
24,
21,
22,
28,
42,
25,
30,
48,
27,
42,
32,
51,
29,
34,
41,
31,
51,
36,
33,
38,
35,
40,
37,
50,
31,
32,
39,
17,
18,
27,
28,
7,
8,
15,
16
]
] |
[
[
2.10614013671875
],
[
1.9578394889831543
],
[
2.226118564605713
],
[
2.10614013671875
],
[
2.218892812728882
],
[
1.9578394889831543
],
[
2.218892812728882
],
[
2.1644606590270996
],
[
2.0440757274627686
],
[
2.226118564605713
],
[
2.100249767303467
],
[
2.124290943145752
],
[
2.1644606590270996
],
[
2.074622392654419
],
[
2.099836826324463
],
[
2.100249767303467
],
[
2.107353925704956
],
[
2.099836826324463
],
[
2.1127285957336426
],
[
2.0599639415740967
],
[
2.107353925704956
],
[
2.112541675567627
],
[
2.1112847328186035
],
[
2.124290943145752
],
[
2.1127285957336426
],
[
2.1104674339294434
],
[
2.10080623626709
],
[
2.130513906478882
],
[
2.112541675567627
],
[
2.0593345165252686
],
[
2.052619457244873
],
[
2.1131362915039062
],
[
2.10080623626709
],
[
2.097440719604492
],
[
2.052619457244873
],
[
2.1174001693725586
],
[
2.1131362915039062
],
[
2.1174001693725586
],
[
2.142817497253418
],
[
2.065060615539551
],
[
2.097440719604492
],
[
2.297403335571289
],
[
2.130513906478882
],
[
2.142817497253418
],
[
2.0746636390686035
],
[
2.0842013359069824
],
[
2.1723151206970215
],
[
2.297403335571289
],
[
2.1030540466308594
],
[
2.1828954219818115
],
[
2.0842013359069824
],
[
2.025362968444824
],
[
2.065394401550293
],
[
2.1030540466308594
],
[
2.1560616493225098
],
[
2.065394401550293
],
[
2.033519744873047
],
[
2.1560616493225098
],
[
2.1828954219818115
],
[
2.1723151206970215
],
[
2.025362968444824
],
[
2.033519744873047
],
[
2.1112847328186035
],
[
2.0593345165252686
],
[
2.065060615539551
],
[
2.0746636390686035
],
[
2.0440757274627686
],
[
2.074622392654419
],
[
2.0599639415740967
],
[
2.1104674339294434
]
] |
[
[
0,
1,
1,
2,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
14,
22,
8,
23,
23,
4,
22,
9,
21,
16
],
[
1,
0,
2,
1,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
14,
23,
8,
4,
23,
9,
22,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
5,
3,
2
] |
[
[
0,
3,
4,
37,
5,
6,
7,
8,
9,
10,
11,
34,
12,
39,
13,
14,
14,
15,
18,
17,
17,
19,
19,
20,
21,
32,
22,
41,
23,
24,
25,
26,
27,
28,
29,
30,
40,
31,
38,
33,
36,
35
],
[
2,
1,
6,
35,
37,
8,
5,
10,
7,
34,
9,
36,
14,
33,
39,
16,
18,
13,
20,
15,
18,
15,
16,
32,
19,
38,
24,
31,
41,
26,
23,
28,
25,
30,
27,
40,
22,
29,
12,
21,
4,
11
]
] |
[
[
2.10614013671875
],
[
2.10614013671875
],
[
2.100249767303467
],
[
2.124290943145752
],
[
2.074622392654419
],
[
2.099836826324463
],
[
2.100249767303467
],
[
2.107353925704956
],
[
2.099836826324463
],
[
2.0599639415740967
],
[
2.107353925704956
],
[
2.124290943145752
],
[
2.10080623626709
],
[
2.130513906478882
],
[
2.0593345165252686
],
[
2.052619457244873
],
[
2.1131362915039062
],
[
2.10080623626709
],
[
2.097440719604492
],
[
2.052619457244873
],
[
2.1174001693725586
],
[
2.1131362915039062
],
[
2.1174001693725586
],
[
2.065060615539551
],
[
2.097440719604492
],
[
2.130513906478882
],
[
2.1030540466308594
],
[
2.1828954219818115
],
[
2.025362968444824
],
[
2.065394401550293
],
[
2.1030540466308594
],
[
2.1560616493225098
],
[
2.065394401550293
],
[
2.033519744873047
],
[
2.1560616493225098
],
[
2.1828954219818115
],
[
2.025362968444824
],
[
2.033519744873047
],
[
2.0593345165252686
],
[
2.065060615539551
],
[
2.074622392654419
],
[
2.0599639415740967
]
] |
CC(=O)Nc1cccc(-c2cc(O)cc(Nc3cccnc3)c2)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
15,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
15,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
13,
31,
31,
32,
8,
33,
33,
34,
3,
35,
35,
36,
36,
37,
37,
38,
38,
39,
39,
40,
3,
41,
41,
42,
42,
43,
43,
44,
44,
45,
45,
46,
34,
5,
40,
35,
46,
41,
32,
10,
24,
19,
30,
25
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
15,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
15,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
13,
32,
31,
33,
8,
34,
33,
35,
3,
36,
35,
37,
36,
38,
37,
39,
38,
40,
39,
41,
3,
42,
41,
43,
42,
44,
43,
45,
44,
46,
45,
5,
34,
35,
40,
41,
46,
10,
32,
19,
24,
25,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
14,
0,
4,
6,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
14,
0,
4,
6,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
4,
5,
6,
68,
68,
80,
80,
7,
7,
7,
8,
8,
9,
10,
93,
11,
11,
12,
13,
14,
14,
15,
16,
64,
17,
17,
18,
18,
19,
20,
99,
21,
21,
22,
23,
24,
24,
25,
26,
60,
27,
27,
28,
28,
28,
29,
30,
36,
36,
48,
48,
31,
31,
31,
32,
33,
35,
37,
37,
37,
38,
101,
39,
39,
40,
41,
42,
43,
44,
45,
46,
100,
100,
47,
49,
49,
49,
50,
103,
51,
51,
52,
53,
54,
55,
56,
57,
58,
102,
102,
59,
61,
61,
62,
98,
98,
63,
65,
65,
66,
92,
92,
67,
69,
69,
69,
70,
95,
71,
71,
72,
73,
74,
75,
76,
77,
78,
94,
94,
79,
81,
81,
81,
82,
97,
83,
83,
84,
85,
86,
87,
88,
89,
90,
96,
96,
91
],
[
2,
4,
1,
6,
68,
80,
3,
8,
70,
95,
82,
97,
5,
68,
80,
10,
93,
7,
12,
67,
9,
93,
14,
11,
16,
64,
13,
18,
66,
15,
64,
20,
99,
17,
22,
63,
19,
99,
24,
21,
26,
60,
23,
28,
62,
25,
60,
30,
36,
48,
27,
32,
38,
101,
50,
103,
29,
36,
48,
34,
31,
33,
29,
30,
48,
40,
47,
37,
101,
42,
39,
44,
41,
46,
43,
100,
37,
38,
45,
29,
30,
36,
52,
59,
49,
103,
54,
51,
56,
53,
58,
55,
102,
49,
50,
57,
25,
26,
98,
19,
20,
61,
15,
16,
92,
9,
10,
65,
5,
6,
80,
72,
79,
69,
95,
74,
71,
76,
73,
78,
75,
94,
69,
70,
77,
5,
6,
68,
84,
91,
81,
97,
86,
83,
88,
85,
90,
87,
96,
81,
82,
89
]
] |
[
[
1.9481050968170166
],
[
1.9982006549835205
],
[
1.9481050968170166
],
[
1.7733283042907715
],
[
1.9546104669570923
],
[
1.870190143585205
],
[
1.9982006549835205
],
[
2.0481622219085693
],
[
2.0923011302948
],
[
2.129896640777588
],
[
2.115062713623047
],
[
2.104996919631958
],
[
1.7733283042907715
],
[
1.8907393217086792
],
[
1.954474687576294
],
[
2.099863052368164
],
[
2.110225200653076
],
[
2.0481622219085693
],
[
2.108682155609131
],
[
2.1020288467407227
],
[
2.099863052368164
],
[
2.072843551635742
],
[
2.096015453338623
],
[
2.108682155609131
],
[
2.1963343620300293
],
[
2.081857919692993
],
[
2.096015453338623
],
[
2.060645341873169
],
[
2.1048667430877686
],
[
2.1963343620300293
],
[
2.004960298538208
],
[
2.090628147125244
],
[
2.0835843086242676
],
[
2.060645341873169
],
[
2.087165594100952
],
[
2.0867085456848145
],
[
2.090628147125244
],
[
2.106879711151123
],
[
2.102522373199463
],
[
2.087165594100952
],
[
2.105370044708252
],
[
2.079044818878174
],
[
2.102522373199463
],
[
2.045569896697998
],
[
2.1035776138305664
],
[
2.105370044708252
],
[
2.098341226577759
],
[
1.8440150022506714
],
[
1.892869234085083
],
[
1.9516369104385376
],
[
2.045569896697998
],
[
2.0523977279663086
],
[
2.087885856628418
],
[
2.128394603729248
],
[
2.135890483856201
],
[
2.0785014629364014
],
[
1.8440150022506714
],
[
1.9393157958984375
],
[
1.9157018661499023
],
[
1.9858832359313965
],
[
2.0523977279663086
],
[
1.9858832359313965
],
[
1.892869234085083
],
[
1.9393157958984375
],
[
1.9193161725997925
],
[
2.1104230880737305
],
[
2.107746124267578
],
[
2.087885856628418
],
[
2.0666749477386475
],
[
2.0939412117004395
],
[
2.1104230880737305
],
[
2.090628147125244
],
[
2.0939412117004395
],
[
2.0968685150146484
],
[
2.090628147125244
],
[
2.107746124267578
],
[
2.128394603729248
],
[
2.0666749477386475
],
[
2.0968685150146484
],
[
1.9516369104385376
],
[
1.9157018661499023
],
[
1.9193161725997925
],
[
2.1055874824523926
],
[
2.109898328781128
],
[
2.135890483856201
],
[
2.068726062774658
],
[
2.09749174118042
],
[
2.1055874824523926
],
[
2.091214895248413
],
[
2.09749174118042
],
[
2.093400716781616
],
[
2.091214895248413
],
[
2.109898328781128
],
[
2.0785014629364014
],
[
2.068726062774658
],
[
2.093400716781616
],
[
2.079044818878174
],
[
2.098341226577759
],
[
2.0867085456848145
],
[
2.0835843086242676
],
[
2.106879711151123
],
[
2.1035776138305664
],
[
2.081857919692993
],
[
2.004960298538208
],
[
2.1020288467407227
],
[
2.110225200653076
],
[
2.072843551635742
],
[
2.1048667430877686
],
[
1.9546104669570923
],
[
1.8907393217086792
],
[
2.0070180892944336
],
[
2.1148252487182617
],
[
2.111063003540039
],
[
2.0923011302948
],
[
2.060204029083252
],
[
2.093684196472168
],
[
2.1148252487182617
],
[
2.0890636444091797
],
[
2.093684196472168
],
[
2.0973329544067383
],
[
2.0890636444091797
],
[
2.111063003540039
],
[
2.129896640777588
],
[
2.060204029083252
],
[
2.0973329544067383
],
[
1.870190143585205
],
[
1.954474687576294
],
[
2.0070180892944336
],
[
2.1113269329071045
],
[
2.1125082969665527
],
[
2.115062713623047
],
[
2.061678409576416
],
[
2.096048355102539
],
[
2.1113269329071045
],
[
2.089296579360962
],
[
2.096048355102539
],
[
2.0948193073272705
],
[
2.089296579360962
],
[
2.1125082969665527
],
[
2.104996919631958
],
[
2.061678409576416
],
[
2.0948193073272705
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
7,
8,
10,
11,
11,
12,
12,
13,
14,
15,
15,
16,
16,
17,
17,
18,
15,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
15,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
13,
31,
31,
32,
8,
33,
33,
34,
3,
35,
35,
36,
36,
37,
37,
38,
38,
39,
39,
40,
3,
41,
41,
42,
42,
43,
43,
44,
44,
45,
45,
46,
34,
5,
40,
35,
46,
41,
32,
10,
24,
19,
30,
25
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
8,
7,
11,
10,
12,
11,
13,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
15,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
15,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
13,
32,
31,
33,
8,
34,
33,
35,
3,
36,
35,
37,
36,
38,
37,
39,
38,
40,
39,
41,
3,
42,
41,
43,
42,
44,
43,
45,
44,
46,
45,
5,
34,
35,
40,
41,
46,
10,
32,
19,
24,
25,
30
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
3,
3,
3,
3,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
3,
3,
1,
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
2,
3,
4,
4,
4,
5,
60,
60,
72,
72,
7,
7,
7,
8,
85,
9,
10,
11,
12,
13,
56,
14,
91,
15,
16,
17,
18,
19,
52,
20,
20,
20,
22,
28,
28,
40,
40,
23,
23,
23,
24,
25,
27,
29,
29,
29,
30,
93,
31,
31,
32,
33,
34,
35,
36,
37,
38,
92,
92,
39,
41,
41,
41,
42,
95,
43,
43,
44,
45,
46,
47,
48,
49,
50,
94,
94,
51,
53,
54,
90,
55,
57,
58,
84,
59,
61,
61,
61,
62,
87,
63,
63,
64,
65,
66,
67,
68,
69,
70,
86,
86,
71,
73,
73,
73,
74,
89,
75,
75,
76,
77,
78,
79,
80,
81,
82,
88,
88,
83
],
[
2,
4,
1,
6,
60,
72,
3,
62,
87,
74,
89,
5,
60,
72,
10,
59,
85,
12,
9,
56,
11,
58,
16,
55,
91,
18,
15,
52,
17,
54,
22,
28,
40,
24,
30,
93,
42,
95,
21,
28,
40,
26,
23,
25,
21,
22,
40,
32,
39,
29,
93,
34,
31,
36,
33,
38,
35,
92,
29,
30,
37,
21,
22,
28,
44,
51,
41,
95,
46,
43,
48,
45,
50,
47,
94,
41,
42,
49,
19,
90,
14,
53,
13,
84,
8,
57,
5,
6,
72,
64,
71,
61,
87,
66,
63,
68,
65,
70,
67,
86,
61,
62,
69,
5,
6,
60,
76,
83,
73,
89,
78,
75,
80,
77,
82,
79,
88,
73,
74,
81
]
] |
[
[
1.9481050968170166
],
[
1.9982006549835205
],
[
1.9481050968170166
],
[
1.7733283042907715
],
[
1.9546104669570923
],
[
1.870190143585205
],
[
1.9982006549835205
],
[
2.0923011302948
],
[
2.129896640777588
],
[
2.115062713623047
],
[
2.104996919631958
],
[
1.7733283042907715
],
[
1.8907393217086792
],
[
1.954474687576294
],
[
2.108682155609131
],
[
2.1020288467407227
],
[
2.072843551635742
],
[
2.096015453338623
],
[
2.108682155609131
],
[
2.081857919692993
],
[
2.096015453338623
],
[
2.1048667430877686
],
[
2.087165594100952
],
[
2.0867085456848145
],
[
2.106879711151123
],
[
2.102522373199463
],
[
2.087165594100952
],
[
2.079044818878174
],
[
2.102522373199463
],
[
2.1035776138305664
],
[
1.8440150022506714
],
[
1.892869234085083
],
[
1.9516369104385376
],
[
2.0523977279663086
],
[
2.087885856628418
],
[
2.128394603729248
],
[
2.135890483856201
],
[
2.0785014629364014
],
[
1.8440150022506714
],
[
1.9393157958984375
],
[
1.9157018661499023
],
[
1.9858832359313965
],
[
2.0523977279663086
],
[
1.9858832359313965
],
[
1.892869234085083
],
[
1.9393157958984375
],
[
1.9193161725997925
],
[
2.1104230880737305
],
[
2.107746124267578
],
[
2.087885856628418
],
[
2.0666749477386475
],
[
2.0939412117004395
],
[
2.1104230880737305
],
[
2.090628147125244
],
[
2.0939412117004395
],
[
2.0968685150146484
],
[
2.090628147125244
],
[
2.107746124267578
],
[
2.128394603729248
],
[
2.0666749477386475
],
[
2.0968685150146484
],
[
1.9516369104385376
],
[
1.9157018661499023
],
[
1.9193161725997925
],
[
2.1055874824523926
],
[
2.109898328781128
],
[
2.135890483856201
],
[
2.068726062774658
],
[
2.09749174118042
],
[
2.1055874824523926
],
[
2.091214895248413
],
[
2.09749174118042
],
[
2.093400716781616
],
[
2.091214895248413
],
[
2.109898328781128
],
[
2.0785014629364014
],
[
2.068726062774658
],
[
2.093400716781616
],
[
2.079044818878174
],
[
2.0867085456848145
],
[
2.106879711151123
],
[
2.1035776138305664
],
[
2.081857919692993
],
[
2.1020288467407227
],
[
2.072843551635742
],
[
2.1048667430877686
],
[
1.9546104669570923
],
[
1.8907393217086792
],
[
2.0070180892944336
],
[
2.1148252487182617
],
[
2.111063003540039
],
[
2.0923011302948
],
[
2.060204029083252
],
[
2.093684196472168
],
[
2.1148252487182617
],
[
2.0890636444091797
],
[
2.093684196472168
],
[
2.0973329544067383
],
[
2.0890636444091797
],
[
2.111063003540039
],
[
2.129896640777588
],
[
2.060204029083252
],
[
2.0973329544067383
],
[
1.870190143585205
],
[
1.954474687576294
],
[
2.0070180892944336
],
[
2.1113269329071045
],
[
2.1125082969665527
],
[
2.115062713623047
],
[
2.061678409576416
],
[
2.096048355102539
],
[
2.1113269329071045
],
[
2.089296579360962
],
[
2.096048355102539
],
[
2.0948193073272705
],
[
2.089296579360962
],
[
2.1125082969665527
],
[
2.104996919631958
],
[
2.061678409576416
],
[
2.0948193073272705
]
] |
CCC[P+](Cc1ccc(Oc2ccc(C[P+](CCC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
6,
17,
17,
18,
1,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
18,
3,
28,
19,
16,
9,
27,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
17,
6,
18,
17,
19,
1,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
3,
18,
19,
28,
9,
16,
22,
27
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
0,
2,
36,
36,
3,
3,
4,
4,
5,
6,
59,
7,
7,
8,
9,
10,
10,
11,
12,
32,
13,
13,
14,
15,
16,
16,
17,
18,
63,
19,
19,
20,
21,
22,
22,
23,
26,
26,
25,
25,
27,
27,
30,
29,
29,
62,
62,
31,
31,
33,
33,
34,
58,
58,
35,
37,
37,
38,
61,
61,
39,
39,
40,
41,
42,
42,
43,
44,
65,
65,
45,
45,
46,
47,
48,
49,
50,
51,
52,
52,
64,
64,
53,
54,
54,
60,
60,
55,
55,
57,
57
],
[
2,
36,
4,
38,
61,
1,
36,
6,
59,
3,
8,
35,
5,
59,
10,
7,
12,
32,
9,
14,
34,
11,
32,
16,
13,
18,
63,
15,
20,
31,
17,
63,
22,
19,
24,
26,
21,
28,
30,
23,
26,
23,
24,
62,
27,
30,
17,
18,
27,
28,
11,
12,
58,
5,
6,
33,
1,
2,
40,
55,
56,
37,
61,
42,
39,
44,
65,
41,
46,
53,
54,
43,
65,
48,
45,
50,
47,
52,
49,
64,
54,
43,
44,
51,
60,
56,
37,
38,
64,
53,
60,
55
]
] |
[
[
2.214054584503174
],
[
2.047422170639038
],
[
2.220285415649414
],
[
2.1093244552612305
],
[
2.091050148010254
],
[
2.214054584503174
],
[
2.020301342010498
],
[
2.045773983001709
],
[
2.164238452911377
],
[
2.220285415649414
],
[
2.1083173751831055
],
[
2.103287935256958
],
[
2.045773983001709
],
[
2.0730643272399902
],
[
2.1011390686035156
],
[
2.1083173751831055
],
[
2.1068830490112305
],
[
2.073385715484619
],
[
2.1011390686035156
],
[
1.9484586715698242
],
[
2.107085704803467
],
[
2.1068830490112305
],
[
2.102670192718506
],
[
1.9492993354797363
],
[
1.9484586715698242
],
[
2.1035704612731934
],
[
2.0980465412139893
],
[
1.9492993354797363
],
[
2.107577085494995
],
[
2.0872814655303955
],
[
2.1035704612731934
],
[
2.081350803375244
],
[
2.080108165740967
],
[
2.107577085494995
],
[
2.1281909942626953
],
[
2.1002728939056396
],
[
2.080108165740967
],
[
2.0932300090789795
],
[
2.109701633453369
],
[
2.1281909942626953
],
[
2.0546960830688477
],
[
2.1002728939056396
],
[
2.0546960830688477
],
[
2.0872814655303955
],
[
2.0932300090789795
],
[
2.0802290439605713
],
[
2.0980465412139893
],
[
2.081350803375244
],
[
2.109701633453369
],
[
2.0802290439605713
],
[
2.073385715484619
],
[
2.102670192718506
],
[
2.103287935256958
],
[
2.164238452911377
],
[
2.0730643272399902
],
[
2.107085704803467
],
[
2.047422170639038
],
[
2.020301342010498
],
[
2.096567153930664
],
[
2.1136038303375244
],
[
2.115572452545166
],
[
2.1093244552612305
],
[
2.0826008319854736
],
[
2.1113948822021484
],
[
2.096567153930664
],
[
2.1074209213256836
],
[
2.0877482891082764
],
[
2.1113948822021484
],
[
2.1100330352783203
],
[
2.0660204887390137
],
[
2.0735743045806885
],
[
2.1074209213256836
],
[
2.087963104248047
],
[
2.0925683975219727
],
[
2.1100330352783203
],
[
2.092090606689453
],
[
2.0925683975219727
],
[
2.117642879486084
],
[
2.092090606689453
],
[
2.0660204887390137
],
[
2.143556594848633
],
[
2.0877482891082764
],
[
2.087963104248047
],
[
2.117642879486084
],
[
2.1136038303375244
],
[
2.053981065750122
],
[
2.091050148010254
],
[
2.0826008319854736
],
[
2.0735743045806885
],
[
2.143556594848633
],
[
2.115572452545166
],
[
2.053981065750122
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
6,
17,
17,
18,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
18,
3,
28,
19,
16,
9,
27,
22
],
[
1,
0,
4,
3,
5,
4,
6,
5,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
17,
6,
18,
17,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
3,
18,
19,
28,
9,
16,
22,
27
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
3,
3,
4,
4,
4,
4,
4,
4,
4,
4,
2,
2,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] |
[
[
2,
49,
3,
4,
5,
6,
7,
24,
10,
53,
11,
12,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
22,
21,
21,
52,
23,
23,
25,
26,
48,
27,
28,
51,
51,
29,
30,
31,
32,
32,
33,
34,
55,
55,
35,
35,
36,
37,
38,
39,
40,
41,
42,
42,
54,
54,
43,
44,
44,
50,
45,
45,
47,
47
],
[
4,
27,
49,
6,
3,
24,
5,
26,
12,
23,
53,
14,
11,
16,
18,
13,
20,
22,
15,
18,
15,
16,
52,
19,
22,
10,
19,
20,
7,
48,
2,
25,
30,
45,
46,
51,
32,
29,
34,
55,
31,
36,
43,
44,
33,
55,
38,
35,
40,
37,
42,
39,
54,
44,
33,
34,
41,
50,
46,
28,
54,
43,
50,
45
]
] |
[
[
2.1083173751831055
],
[
2.103287935256958
],
[
2.0730643272399902
],
[
2.1011390686035156
],
[
2.1083173751831055
],
[
2.073385715484619
],
[
2.1011390686035156
],
[
2.107085704803467
],
[
2.107577085494995
],
[
2.0872814655303955
],
[
2.081350803375244
],
[
2.080108165740967
],
[
2.107577085494995
],
[
2.1281909942626953
],
[
2.1002728939056396
],
[
2.080108165740967
],
[
2.0932300090789795
],
[
2.109701633453369
],
[
2.1281909942626953
],
[
2.0546960830688477
],
[
2.1002728939056396
],
[
2.0546960830688477
],
[
2.0872814655303955
],
[
2.0932300090789795
],
[
2.0802290439605713
],
[
2.081350803375244
],
[
2.109701633453369
],
[
2.0802290439605713
],
[
2.073385715484619
],
[
2.103287935256958
],
[
2.0730643272399902
],
[
2.107085704803467
],
[
2.096567153930664
],
[
2.1136038303375244
],
[
2.115572452545166
],
[
2.0826008319854736
],
[
2.1113948822021484
],
[
2.096567153930664
],
[
2.1074209213256836
],
[
2.0877482891082764
],
[
2.1113948822021484
],
[
2.1100330352783203
],
[
2.0660204887390137
],
[
2.0735743045806885
],
[
2.1074209213256836
],
[
2.087963104248047
],
[
2.0925683975219727
],
[
2.1100330352783203
],
[
2.092090606689453
],
[
2.0925683975219727
],
[
2.117642879486084
],
[
2.092090606689453
],
[
2.0660204887390137
],
[
2.143556594848633
],
[
2.0877482891082764
],
[
2.087963104248047
],
[
2.117642879486084
],
[
2.1136038303375244
],
[
2.053981065750122
],
[
2.0826008319854736
],
[
2.0735743045806885
],
[
2.143556594848633
],
[
2.115572452545166
],
[
2.053981065750122
]
] |
O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc2ccccc2c1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
11,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
29,
31,
31,
32,
5,
33,
33,
1,
23,
6,
32,
26,
22,
8,
17,
12,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
11,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
29,
32,
31,
33,
5,
1,
33,
6,
23,
26,
32,
8,
22,
12,
17,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
67,
3,
3,
4,
5,
6,
7,
8,
8,
9,
10,
10,
64,
11,
11,
12,
69,
69,
13,
13,
14,
14,
15,
16,
73,
73,
17,
17,
18,
19,
20,
20,
21,
22,
22,
40,
23,
23,
24,
75,
25,
25,
26,
27,
28,
28,
29,
30,
30,
77,
31,
31,
32,
34,
74,
74,
33,
33,
35,
35,
36,
37,
38,
76,
76,
39,
41,
41,
42,
42,
72,
72,
43,
44,
44,
68,
68,
45,
45,
46,
47,
47,
48,
49,
50,
50,
51,
52,
71,
53,
53,
54,
55,
56,
56,
57,
60,
59,
59,
61,
61,
62,
70,
70,
63,
66,
66,
65,
65
],
[
2,
67,
4,
65,
1,
67,
6,
3,
8,
5,
10,
64,
7,
12,
69,
66,
9,
64,
14,
45,
46,
11,
69,
16,
73,
13,
18,
43,
44,
15,
73,
20,
17,
22,
40,
19,
24,
75,
42,
21,
40,
26,
33,
23,
75,
28,
25,
30,
77,
27,
32,
34,
39,
29,
77,
74,
36,
23,
24,
31,
34,
31,
32,
38,
35,
76,
29,
30,
37,
21,
22,
72,
44,
15,
16,
41,
68,
46,
11,
12,
72,
43,
48,
68,
45,
50,
47,
52,
71,
49,
54,
63,
51,
71,
56,
53,
58,
60,
55,
62,
57,
60,
57,
58,
70,
51,
52,
61,
1,
2,
9,
10
]
] |
[
[
2.104290008544922
],
[
2.0994153022766113
],
[
2.099689483642578
],
[
2.1158742904663086
],
[
2.104290008544922
],
[
2.0785810947418213
],
[
2.096799612045288
],
[
2.099689483642578
],
[
2.1058387756347656
],
[
2.096799612045288
],
[
2.1126694679260254
],
[
2.06925630569458
],
[
2.1058387756347656
],
[
2.0034992694854736
],
[
2.366434097290039
],
[
2.1158742904663086
],
[
2.1126694679260254
],
[
2.1012301445007324
],
[
1.877547025680542
],
[
1.8611528873443604
],
[
2.1780619621276855
],
[
2.0034992694854736
],
[
1.913042426109314
],
[
2.1831018924713135
],
[
1.930032730102539
],
[
1.877547025680542
],
[
2.0347604751586914
],
[
2.0566985607147217
],
[
1.8429073095321655
],
[
2.1831018924713135
],
[
2.1699976921081543
],
[
2.130814552307129
],
[
2.0347604751586914
],
[
2.105930805206299
],
[
2.075429916381836
],
[
2.130814552307129
],
[
2.105531692504883
],
[
2.1069469451904297
],
[
2.098402500152588
],
[
2.105930805206299
],
[
2.1017982959747314
],
[
2.12152099609375
],
[
2.0700602531433105
],
[
2.105531692504883
],
[
2.0706827640533447
],
[
2.0532736778259277
],
[
2.12152099609375
],
[
2.1233839988708496
],
[
2.19642972946167
],
[
2.0532736778259277
],
[
2.127399206161499
],
[
1.9621208906173706
],
[
1.759515643119812
],
[
2.1233839988708496
],
[
1.963346004486084
],
[
2.0700602531433105
],
[
1.7595747709274292
],
[
2.1069469451904297
],
[
2.0706827640533447
],
[
2.127399206161499
],
[
2.1936392784118652
],
[
1.9621208906173706
],
[
2.1936392784118652
],
[
1.9801857471466064
],
[
1.7595747709274292
],
[
1.759515643119812
],
[
2.19642972946167
],
[
1.963346004486084
],
[
1.9801857471466064
],
[
2.075429916381836
],
[
2.1017982959747314
],
[
2.0566985607147217
],
[
2.383356809616089
],
[
1.930032730102539
],
[
2.1699976921081543
],
[
2.098402500152588
],
[
1.8611528873443604
],
[
2.243197441101074
],
[
2.366434097290039
],
[
1.913042426109314
],
[
1.8429073095321655
],
[
2.383356809616089
],
[
2.1845908164978027
],
[
2.1780619621276855
],
[
2.243197441101074
],
[
2.1666829586029053
],
[
2.1845908164978027
],
[
2.138479232788086
],
[
2.0750162601470947
],
[
2.1666829586029053
],
[
2.1041321754455566
],
[
2.105694532394409
],
[
2.138479232788086
],
[
2.0679819583892822
],
[
2.108973979949951
],
[
2.1041321754455566
],
[
2.1000618934631348
],
[
2.0675480365753174
],
[
2.108973979949951
],
[
2.107787847518921
],
[
2.1000618934631348
],
[
2.099949359893799
],
[
2.0675480365753174
],
[
2.099949359893799
],
[
2.105694532394409
],
[
2.0750162601470947
],
[
2.0679819583892822
],
[
2.107787847518921
],
[
2.0994153022766113
],
[
2.0785810947418213
],
[
2.06925630569458
],
[
2.1012301445007324
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
11,
21,
21,
22,
22,
23,
23,
24,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
29,
31,
31,
32,
5,
33,
33,
1,
23,
6,
32,
26,
22,
8,
17,
12,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
11,
22,
21,
23,
22,
24,
23,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
29,
32,
31,
33,
5,
1,
33,
6,
23,
26,
32,
8,
22,
12,
17,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
1,
1,
1,
1,
3,
3,
3,
3,
3,
3,
3,
3,
0
] |
[
[
0,
0,
2,
61,
3,
3,
4,
5,
6,
7,
8,
9,
58,
10,
63,
63,
11,
12,
12,
13,
14,
67,
67,
15,
15,
16,
17,
18,
19,
36,
20,
69,
21,
22,
23,
24,
24,
25,
26,
26,
71,
27,
27,
28,
30,
68,
29,
29,
31,
31,
32,
33,
34,
70,
70,
35,
37,
38,
38,
66,
66,
39,
40,
40,
62,
41,
41,
43,
43,
44,
44,
46,
65,
47,
47,
48,
49,
50,
50,
51,
54,
53,
53,
55,
55,
56,
64,
64,
57,
60,
60,
59
],
[
2,
61,
4,
59,
1,
61,
6,
3,
8,
5,
58,
7,
60,
12,
41,
42,
63,
14,
67,
11,
16,
39,
40,
13,
67,
18,
15,
36,
17,
38,
22,
29,
69,
24,
21,
26,
71,
23,
28,
30,
35,
25,
71,
68,
32,
20,
27,
30,
27,
28,
34,
31,
70,
25,
26,
33,
19,
66,
40,
13,
14,
37,
62,
42,
10,
66,
39,
62,
41,
46,
65,
48,
57,
45,
65,
50,
47,
52,
54,
49,
56,
51,
54,
51,
52,
64,
45,
46,
55,
1,
2,
9
]
] |
[
[
2.104290008544922
],
[
2.0994153022766113
],
[
2.099689483642578
],
[
2.1158742904663086
],
[
2.104290008544922
],
[
2.0785810947418213
],
[
2.096799612045288
],
[
2.099689483642578
],
[
2.1058387756347656
],
[
2.096799612045288
],
[
2.06925630569458
],
[
2.1058387756347656
],
[
2.1158742904663086
],
[
1.877547025680542
],
[
1.8611528873443604
],
[
2.1780619621276855
],
[
1.913042426109314
],
[
2.1831018924713135
],
[
1.930032730102539
],
[
1.877547025680542
],
[
2.0347604751586914
],
[
2.0566985607147217
],
[
1.8429073095321655
],
[
2.1831018924713135
],
[
2.1699976921081543
],
[
2.130814552307129
],
[
2.0347604751586914
],
[
2.075429916381836
],
[
2.130814552307129
],
[
2.098402500152588
],
[
2.12152099609375
],
[
2.0700602531433105
],
[
2.0706827640533447
],
[
2.0532736778259277
],
[
2.12152099609375
],
[
2.1233839988708496
],
[
2.19642972946167
],
[
2.0532736778259277
],
[
2.127399206161499
],
[
1.9621208906173706
],
[
1.759515643119812
],
[
2.1233839988708496
],
[
1.963346004486084
],
[
2.0700602531433105
],
[
1.7595747709274292
],
[
2.0706827640533447
],
[
2.127399206161499
],
[
2.1936392784118652
],
[
1.9621208906173706
],
[
2.1936392784118652
],
[
1.9801857471466064
],
[
1.7595747709274292
],
[
1.759515643119812
],
[
2.19642972946167
],
[
1.963346004486084
],
[
1.9801857471466064
],
[
2.075429916381836
],
[
2.0566985607147217
],
[
2.383356809616089
],
[
1.930032730102539
],
[
2.1699976921081543
],
[
2.098402500152588
],
[
1.8611528873443604
],
[
2.243197441101074
],
[
1.913042426109314
],
[
1.8429073095321655
],
[
2.383356809616089
],
[
2.1780619621276855
],
[
2.243197441101074
],
[
2.138479232788086
],
[
2.0750162601470947
],
[
2.1041321754455566
],
[
2.105694532394409
],
[
2.138479232788086
],
[
2.0679819583892822
],
[
2.108973979949951
],
[
2.1041321754455566
],
[
2.1000618934631348
],
[
2.0675480365753174
],
[
2.108973979949951
],
[
2.107787847518921
],
[
2.1000618934631348
],
[
2.099949359893799
],
[
2.0675480365753174
],
[
2.099949359893799
],
[
2.105694532394409
],
[
2.0750162601470947
],
[
2.0679819583892822
],
[
2.107787847518921
],
[
2.0994153022766113
],
[
2.0785810947418213
],
[
2.06925630569458
]
] |
Cc1cccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2C=Cc2ccc(N)cc2)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
4,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
12,
1,
24,
14,
11,
5,
24,
19
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
4,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
1,
12,
14,
24,
5,
11,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
49,
49,
3,
3,
4,
5,
6,
6,
7,
8,
8,
22,
22,
9,
9,
10,
53,
11,
11,
12,
13,
14,
15,
16,
16,
17,
20,
19,
19,
52,
52,
21,
21,
48,
48,
23,
23,
24,
25,
25,
26,
26,
27,
28,
28,
51,
51,
29,
29,
32,
31,
31,
33,
33,
34,
35,
36,
36,
37,
38,
55,
55,
39,
39,
40,
41,
42,
43,
44,
45,
46,
46,
50,
50,
54,
54,
47
],
[
2,
49,
4,
23,
24,
1,
49,
6,
3,
8,
22,
5,
10,
53,
48,
24,
7,
22,
12,
21,
9,
53,
14,
11,
16,
13,
18,
20,
15,
52,
17,
20,
9,
10,
17,
18,
1,
2,
7,
8,
26,
48,
23,
28,
51,
25,
30,
32,
54,
47,
27,
51,
34,
29,
32,
29,
30,
36,
33,
38,
55,
35,
40,
50,
47,
37,
55,
42,
39,
44,
41,
46,
43,
50,
54,
27,
28,
37,
38,
45
]
] |
[
[
2.219099521636963
],
[
2.1858088970184326
],
[
1.887195348739624
],
[
1.8086931705474854
],
[
2.1308584213256836
],
[
2.219099521636963
],
[
1.8782501220703125
],
[
1.8501354455947876
],
[
1.887195348739624
],
[
2.081754684448242
],
[
1.9759767055511475
],
[
1.8501354455947876
],
[
2.112457752227783
],
[
2.0894956588745117
],
[
1.8086931705474854
],
[
2.342352867126465
],
[
2.081754684448242
],
[
2.225315809249878
],
[
2.1021177768707275
],
[
2.0944125652313232
],
[
2.112457752227783
],
[
2.0811667442321777
],
[
2.0948007106781006
],
[
2.1021177768707275
],
[
2.088749885559082
],
[
2.0948007106781006
],
[
2.0891575813293457
],
[
2.1049394607543945
],
[
2.088749885559082
],
[
2.0944125652313232
],
[
2.0891575813293457
],
[
2.089052438735962
],
[
2.0894956588745117
],
[
2.0811667442321777
],
[
2.1049394607543945
],
[
2.089052438735962
],
[
2.1858088970184326
],
[
1.8782501220703125
],
[
1.9759767055511475
],
[
2.225315809249878
],
[
1.9926936626434326
],
[
2.1308584213256836
],
[
2.342352867126465
],
[
2.087200403213501
],
[
2.1285717487335205
],
[
1.9926936626434326
],
[
2.1322388648986816
],
[
2.128789186477661
],
[
2.0772178173065186
],
[
2.1696407794952393
],
[
2.087200403213501
],
[
2.0673656463623047
],
[
2.0883140563964844
],
[
2.1322388648986816
],
[
2.0221123695373535
],
[
2.128789186477661
],
[
2.0221123695373535
],
[
2.1069486141204834
],
[
2.0883140563964844
],
[
2.0836386680603027
],
[
2.097315788269043
],
[
2.1069486141204834
],
[
2.1139321327209473
],
[
2.0772178173065186
],
[
2.0362706184387207
],
[
2.0836386680603027
],
[
2.1021888256073
],
[
2.0863494873046875
],
[
2.1139321327209473
],
[
2.0927186012268066
],
[
2.0863494873046875
],
[
2.134662628173828
],
[
2.0927186012268066
],
[
2.1696407794952393
],
[
2.0362706184387207
],
[
2.1285717487335205
],
[
2.0673656463623047
],
[
2.097315788269043
],
[
2.1021888256073
],
[
2.134662628173828
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
4,
12,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
12,
1,
24,
14,
11,
5,
24,
19
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
4,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
1,
12,
14,
24,
5,
11,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
0,
2,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
6,
7,
20,
8,
47,
9,
10,
11,
12,
13,
14,
14,
15,
18,
17,
17,
46,
19,
19,
42,
42,
21,
22,
22,
45,
45,
23,
26,
25,
25,
27,
27,
28,
29,
30,
30,
31,
32,
49,
49,
33,
33,
34,
35,
36,
37,
38,
39,
40,
40,
44,
48,
48,
41
],
[
2,
43,
4,
21,
1,
43,
6,
3,
20,
5,
42,
10,
19,
47,
12,
9,
14,
11,
16,
18,
13,
46,
15,
18,
8,
15,
16,
1,
2,
7,
24,
26,
48,
41,
45,
28,
23,
26,
23,
24,
30,
27,
32,
49,
29,
34,
44,
41,
31,
49,
36,
33,
38,
35,
40,
37,
44,
48,
22,
31,
32,
39
]
] |
[
[
2.219099521636963
],
[
2.1858088970184326
],
[
1.887195348739624
],
[
1.8086931705474854
],
[
2.219099521636963
],
[
1.8782501220703125
],
[
1.8501354455947876
],
[
1.887195348739624
],
[
1.9759767055511475
],
[
1.8501354455947876
],
[
1.8086931705474854
],
[
2.1021177768707275
],
[
2.0944125652313232
],
[
2.0811667442321777
],
[
2.0948007106781006
],
[
2.1021177768707275
],
[
2.088749885559082
],
[
2.0948007106781006
],
[
2.0891575813293457
],
[
2.1049394607543945
],
[
2.088749885559082
],
[
2.0944125652313232
],
[
2.0891575813293457
],
[
2.089052438735962
],
[
2.0811667442321777
],
[
2.1049394607543945
],
[
2.089052438735962
],
[
2.1858088970184326
],
[
1.8782501220703125
],
[
1.9759767055511475
],
[
2.1322388648986816
],
[
2.128789186477661
],
[
2.0772178173065186
],
[
2.1696407794952393
],
[
2.0673656463623047
],
[
2.0883140563964844
],
[
2.1322388648986816
],
[
2.0221123695373535
],
[
2.128789186477661
],
[
2.0221123695373535
],
[
2.1069486141204834
],
[
2.0883140563964844
],
[
2.0836386680603027
],
[
2.097315788269043
],
[
2.1069486141204834
],
[
2.1139321327209473
],
[
2.0772178173065186
],
[
2.0362706184387207
],
[
2.0836386680603027
],
[
2.1021888256073
],
[
2.0863494873046875
],
[
2.1139321327209473
],
[
2.0927186012268066
],
[
2.0863494873046875
],
[
2.134662628173828
],
[
2.0927186012268066
],
[
2.1696407794952393
],
[
2.0362706184387207
],
[
2.0673656463623047
],
[
2.097315788269043
],
[
2.1021888256073
],
[
2.134662628173828
]
] |
O=c1[nH][nH]c(-c2cccc(Br)c2)c1Cc1c(O)ccc2ccccc12
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
10,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
9,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
24,
2,
22,
7,
19,
14
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
10,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
9,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
2,
24,
7,
22,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
2,
3,
6,
51,
51,
5,
5,
5,
7,
7,
7,
8,
8,
9,
12,
12,
11,
11,
13,
13,
14,
53,
53,
15,
15,
16,
16,
17,
18,
18,
18,
38,
19,
19,
24,
21,
21,
21,
23,
23,
23,
25,
25,
25,
26,
26,
27,
28,
55,
29,
29,
30,
31,
32,
33,
34,
35,
36,
54,
54,
37,
39,
39,
40,
41,
42,
42,
52,
52,
43,
44,
45,
45,
46,
46,
50,
50,
50,
47,
49,
49
],
[
2,
4,
6,
51,
1,
8,
47,
48,
3,
6,
51,
3,
4,
51,
10,
12,
7,
14,
53,
9,
12,
9,
10,
16,
43,
44,
13,
53,
18,
38,
15,
20,
22,
24,
40,
17,
38,
26,
19,
22,
24,
19,
20,
24,
19,
20,
22,
28,
55,
25,
30,
37,
27,
55,
32,
29,
34,
31,
36,
33,
54,
27,
28,
35,
17,
18,
42,
39,
52,
44,
13,
14,
41,
46,
52,
43,
50,
48,
3,
4,
6,
45,
50,
47
]
] |
[
[
2.010425329208374
],
[
1.9198417663574219
],
[
1.9360384941101074
],
[
1.951192855834961
],
[
2.010425329208374
],
[
2.2502963542938232
],
[
2.113312244415283
],
[
2.129610061645508
],
[
1.9198417663574219
],
[
1.860722303390503
],
[
1.8871263265609741
],
[
1.9360384941101074
],
[
1.860722303390503
],
[
1.9060454368591309
],
[
2.061513900756836
],
[
2.129638671875
],
[
2.2502963542938232
],
[
2.006040573120117
],
[
2.190156936645508
],
[
2.061513900756836
],
[
2.0919032096862793
],
[
2.129638671875
],
[
2.0919032096862793
],
[
2.1077990531921387
],
[
2.0742435455322266
],
[
2.212113857269287
],
[
2.006040573120117
],
[
2.0819907188415527
],
[
2.081178665161133
],
[
2.100792407989502
],
[
2.1077990531921387
],
[
1.893721342086792
],
[
1.8686290979385376
],
[
1.7830479145050049
],
[
2.0779504776000977
],
[
2.081178665161133
],
[
2.101046323776245
],
[
2.113353729248047
],
[
1.893721342086792
],
[
2.1314330101013184
],
[
1.888820767402649
],
[
1.8686290979385376
],
[
2.1314330101013184
],
[
1.867295265197754
],
[
1.7830479145050049
],
[
1.888820767402649
],
[
1.867295265197754
],
[
1.8934975862503052
],
[
1.9094079732894897
],
[
2.113353729248047
],
[
1.9455617666244507
],
[
1.9451642036437988
],
[
1.8934975862503052
],
[
1.9389292001724243
],
[
1.9475854635238647
],
[
1.9455617666244507
],
[
1.9491868019104004
],
[
1.9475854635238647
],
[
1.9486472606658936
],
[
1.9491868019104004
],
[
1.9451642036437988
],
[
1.9094079732894897
],
[
1.9389292001724243
],
[
1.9486472606658936
],
[
2.100792407989502
],
[
2.101046323776245
],
[
2.122678756713867
],
[
2.0779504776000977
],
[
2.0742435455322266
],
[
1.996680498123169
],
[
2.190156936645508
],
[
2.0819907188415527
],
[
2.122678756713867
],
[
2.297053575515747
],
[
2.212113857269287
],
[
1.996680498123169
],
[
2.113312244415283
],
[
2.0316712856292725
],
[
1.951192855834961
],
[
1.8871263265609741
],
[
1.9060454368591309
],
[
2.297053575515747
],
[
2.129610061645508
],
[
2.0316712856292725
]
] |
[
[
0,
1,
2,
3,
2,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
9,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
24,
2,
22,
7,
19,
14
],
[
1,
0,
3,
2,
4,
2,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
9,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
2,
24,
7,
22,
14,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
1,
1,
1,
1,
1,
1
] |
[
[
4,
45,
45,
3,
3,
5,
5,
6,
6,
7,
10,
10,
9,
9,
11,
11,
12,
47,
47,
13,
13,
14,
14,
15,
16,
16,
32,
17,
17,
19,
19,
21,
21,
22,
49,
23,
24,
25,
26,
27,
28,
29,
30,
48,
31,
33,
33,
34,
35,
36,
36,
46,
46,
37,
38,
39,
39,
40,
40,
44,
44,
41,
43,
43
],
[
6,
41,
42,
4,
45,
2,
45,
8,
10,
5,
12,
47,
7,
10,
7,
8,
14,
37,
38,
11,
47,
16,
32,
13,
18,
20,
34,
15,
32,
17,
20,
17,
18,
24,
31,
49,
26,
23,
28,
25,
30,
27,
48,
22,
29,
15,
16,
36,
33,
46,
38,
11,
12,
35,
40,
46,
37,
44,
42,
2,
4,
39,
44,
41
]
] |
[
[
2.2502963542938232
],
[
2.113312244415283
],
[
2.129610061645508
],
[
1.860722303390503
],
[
1.8871263265609741
],
[
1.860722303390503
],
[
1.9060454368591309
],
[
2.061513900756836
],
[
2.129638671875
],
[
2.2502963542938232
],
[
2.006040573120117
],
[
2.190156936645508
],
[
2.061513900756836
],
[
2.0919032096862793
],
[
2.129638671875
],
[
2.0919032096862793
],
[
2.1077990531921387
],
[
2.0742435455322266
],
[
2.212113857269287
],
[
2.006040573120117
],
[
2.0819907188415527
],
[
2.081178665161133
],
[
2.100792407989502
],
[
2.1077990531921387
],
[
1.893721342086792
],
[
1.8686290979385376
],
[
2.0779504776000977
],
[
2.081178665161133
],
[
2.101046323776245
],
[
1.893721342086792
],
[
2.1314330101013184
],
[
1.8686290979385376
],
[
2.1314330101013184
],
[
1.9455617666244507
],
[
1.9451642036437988
],
[
1.9389292001724243
],
[
1.9475854635238647
],
[
1.9455617666244507
],
[
1.9491868019104004
],
[
1.9475854635238647
],
[
1.9486472606658936
],
[
1.9491868019104004
],
[
1.9451642036437988
],
[
1.9389292001724243
],
[
1.9486472606658936
],
[
2.100792407989502
],
[
2.101046323776245
],
[
2.122678756713867
],
[
2.0779504776000977
],
[
2.0742435455322266
],
[
1.996680498123169
],
[
2.190156936645508
],
[
2.0819907188415527
],
[
2.122678756713867
],
[
2.297053575515747
],
[
2.212113857269287
],
[
1.996680498123169
],
[
2.113312244415283
],
[
2.0316712856292725
],
[
1.8871263265609741
],
[
1.9060454368591309
],
[
2.297053575515747
],
[
2.129610061645508
],
[
2.0316712856292725
]
] |
CCC1(C)NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2NC1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
2,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
14,
21,
21,
22,
10,
23,
23,
24,
23,
1,
22,
11,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
2,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
14,
22,
21,
23,
10,
24,
23,
1,
23,
11,
22,
15,
20
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
0,
2,
2,
49,
49,
3,
3,
4,
18,
18,
5,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
17,
19,
19,
20,
20,
44,
44,
21,
21,
22,
51,
23,
23,
24,
25,
26,
26,
27,
28,
28,
40,
29,
29,
30,
53,
31,
31,
32,
33,
34,
35,
36,
37,
38,
52,
52,
39,
41,
41,
42,
50,
50,
43,
48,
48,
45,
45,
47,
47
],
[
2,
49,
4,
18,
45,
46,
1,
49,
6,
20,
44,
3,
18,
8,
5,
10,
7,
12,
9,
14,
11,
16,
13,
15,
3,
4,
22,
51,
48,
46,
19,
44,
24,
43,
21,
51,
26,
23,
28,
40,
25,
30,
53,
42,
27,
40,
32,
39,
29,
53,
34,
31,
36,
33,
38,
35,
52,
29,
30,
37,
27,
28,
50,
21,
22,
41,
1,
2,
19,
20,
48,
45
]
] |
[
[
2.4279260635375977
],
[
2.3203084468841553
],
[
2.2648026943206787
],
[
1.6103031635284424
],
[
1.538069725036621
],
[
2.314561605453491
],
[
2.4279260635375977
],
[
1.5348422527313232
],
[
2.1620476245880127
],
[
2.4217143058776855
],
[
1.5999386310577393
],
[
2.2648026943206787
],
[
2.408050060272217
],
[
1.9107049703598022
],
[
2.1620476245880127
],
[
1.9890098571777344
],
[
1.9107049703598022
],
[
1.9525539875030518
],
[
1.9890098571777344
],
[
1.9182384014129639
],
[
1.9525539875030518
],
[
1.9120701551437378
],
[
1.9182384014129639
],
[
1.9120701551437378
],
[
1.6103031635284424
],
[
2.408050060272217
],
[
2.1327319145202637
],
[
2.133422374725342
],
[
1.538069725036621
],
[
2.4305012226104736
],
[
2.4217143058776855
],
[
2.261502981185913
],
[
1.965661644935608
],
[
1.966206669807434
],
[
2.1327319145202637
],
[
2.016561269760132
],
[
1.9565140008926392
],
[
1.965661644935608
],
[
2.123338460922241
],
[
2.0349156856536865
],
[
1.9565140008926392
],
[
2.1265769004821777
],
[
2.1279008388519287
],
[
1.9551513195037842
],
[
2.123338460922241
],
[
2.124678611755371
],
[
2.1313323974609375
],
[
2.1311824321746826
],
[
2.1265769004821777
],
[
2.0286812782287598
],
[
2.0962612628936768
],
[
2.1313323974609375
],
[
2.0824007987976074
],
[
2.0962612628936768
],
[
2.096461296081543
],
[
2.0824007987976074
],
[
2.1311824321746826
],
[
2.1279008388519287
],
[
2.0286812782287598
],
[
2.096461296081543
],
[
2.0349156856536865
],
[
2.124678611755371
],
[
1.966206669807434
],
[
2.133422374725342
],
[
2.016561269760132
],
[
1.9551513195037842
],
[
2.3203084468841553
],
[
1.5348422527313232
],
[
1.5999386310577393
],
[
2.261502981185913
],
[
2.314561605453491
],
[
2.4305012226104736
]
] |
[
[
0,
1,
1,
2,
4,
5,
7,
8,
8,
9,
2,
10,
11,
12,
12,
13,
13,
14,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
14,
21,
21,
22,
10,
23,
23,
24,
23,
1,
22,
11,
20,
15
],
[
1,
0,
2,
1,
5,
4,
8,
7,
9,
8,
10,
2,
12,
11,
13,
12,
14,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
14,
22,
21,
23,
10,
24,
23,
1,
23,
11,
22,
15,
20
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
3,
4,
4,
4,
0,
5,
5,
5,
5,
6,
6,
6,
6,
6,
6,
5,
5,
0,
0
] |
[
[
0,
0,
2,
37,
37,
3,
3,
10,
6,
9,
11,
32,
32,
12,
39,
13,
14,
15,
16,
17,
28,
18,
41,
19,
20,
21,
22,
23,
24,
25,
26,
40,
27,
29,
30,
38,
31,
36,
36,
33,
35,
35
],
[
2,
37,
10,
33,
34,
1,
37,
32,
8,
7,
3,
36,
34,
14,
31,
39,
16,
13,
28,
15,
30,
20,
27,
41,
22,
19,
24,
21,
26,
23,
40,
18,
25,
17,
38,
12,
29,
1,
2,
11,
36,
33
]
] |
[
[
2.4279260635375977
],
[
2.3203084468841553
],
[
1.6103031635284424
],
[
1.538069725036621
],
[
2.314561605453491
],
[
2.4279260635375977
],
[
1.5348422527313232
],
[
1.5999386310577393
],
[
1.9120701551437378
],
[
1.9120701551437378
],
[
1.6103031635284424
],
[
1.538069725036621
],
[
2.4305012226104736
],
[
1.965661644935608
],
[
1.966206669807434
],
[
2.016561269760132
],
[
1.9565140008926392
],
[
1.965661644935608
],
[
2.0349156856536865
],
[
1.9565140008926392
],
[
1.9551513195037842
],
[
2.1313323974609375
],
[
2.1311824321746826
],
[
2.0286812782287598
],
[
2.0962612628936768
],
[
2.1313323974609375
],
[
2.0824007987976074
],
[
2.0962612628936768
],
[
2.096461296081543
],
[
2.0824007987976074
],
[
2.1311824321746826
],
[
2.0286812782287598
],
[
2.096461296081543
],
[
2.0349156856536865
],
[
1.966206669807434
],
[
2.016561269760132
],
[
1.9551513195037842
],
[
2.3203084468841553
],
[
1.5348422527313232
],
[
1.5999386310577393
],
[
2.314561605453491
],
[
2.4305012226104736
]
] |
O=c1c(NCCNCCO)c(N2CCN(c3ccccc3)CC2)c1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
8,
18,
1,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
18,
5,
24,
19,
14,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
8,
19,
1,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
5,
18,
19,
24,
9,
14
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
0,
2,
36,
36,
3,
3,
4,
5,
6,
7,
8,
8,
9,
10,
51,
11,
11,
12,
13,
14,
14,
15,
16,
16,
34,
17,
17,
18,
55,
55,
19,
19,
20,
21,
22,
23,
24,
25,
26,
26,
54,
54,
27,
28,
28,
29,
29,
31,
31,
33,
33,
50,
50,
35,
35,
37,
37,
38,
53,
53,
39,
39,
40,
41,
42,
43,
44,
45,
46,
46,
52,
52,
47,
49,
49
],
[
2,
36,
4,
38,
53,
1,
36,
6,
3,
8,
5,
10,
51,
7,
12,
35,
9,
51,
14,
11,
16,
34,
13,
18,
55,
50,
15,
34,
20,
27,
28,
17,
55,
22,
19,
24,
21,
26,
23,
54,
28,
17,
18,
25,
30,
32,
54,
27,
29,
32,
29,
30,
9,
10,
15,
16,
1,
2,
40,
47,
48,
37,
53,
42,
39,
44,
41,
46,
43,
52,
48,
37,
38,
45,
52,
47
]
] |
[
[
2.189133644104004
],
[
2.0664143562316895
],
[
2.163830280303955
],
[
2.1196017265319824
],
[
2.0871663093566895
],
[
2.189133644104004
],
[
2.0265743732452393
],
[
2.054388999938965
],
[
2.163830280303955
],
[
2.1002049446105957
],
[
2.054388999938965
],
[
2.3112378120422363
],
[
2.060391664505005
],
[
2.1002049446105957
],
[
1.8610821962356567
],
[
1.8784335851669312
],
[
2.3112378120422363
],
[
1.9115298986434937
],
[
1.8584500551223755
],
[
1.8610821962356567
],
[
2.3450045585632324
],
[
1.914958119392395
],
[
1.8584500551223755
],
[
2.0746302604675293
],
[
2.1632227897644043
],
[
1.8784335851669312
],
[
2.3450045585632324
],
[
2.0225422382354736
],
[
2.114457607269287
],
[
2.1327173709869385
],
[
2.1101808547973633
],
[
2.0746302604675293
],
[
2.0451059341430664
],
[
2.1017236709594727
],
[
2.114457607269287
],
[
2.090181350708008
],
[
2.1017236709594727
],
[
2.08198618888855
],
[
2.090181350708008
],
[
2.1327173709869385
],
[
2.0393736362457275
],
[
2.1632227897644043
],
[
2.0451059341430664
],
[
2.08198618888855
],
[
2.0466675758361816
],
[
2.041869640350342
],
[
2.1101808547973633
],
[
2.0393736362457275
],
[
2.0466675758361816
],
[
2.1929221153259277
],
[
2.041869640350342
],
[
2.1929221153259277
],
[
2.060391664505005
],
[
1.9115298986434937
],
[
1.914958119392395
],
[
2.0225422382354736
],
[
2.0664143562316895
],
[
2.0265743732452393
],
[
2.0980582237243652
],
[
2.10599422454834
],
[
2.1506383419036865
],
[
2.1196017265319824
],
[
2.0762343406677246
],
[
2.0973381996154785
],
[
2.0980582237243652
],
[
2.0947365760803223
],
[
2.0973381996154785
],
[
2.0934011936187744
],
[
2.0947365760803223
],
[
2.10599422454834
],
[
2.0265278816223145
],
[
2.0871663093566895
],
[
2.0762343406677246
],
[
2.0934011936187744
],
[
2.1506383419036865
],
[
2.0265278816223145
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
8,
18,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
18,
5,
24,
19,
14,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
8,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
5,
18,
19,
24,
9,
14
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
0,
2,
2,
2,
2,
2,
2,
2
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
8,
9,
10,
47,
11,
11,
12,
13,
14,
15,
32,
16,
51,
51,
17,
18,
19,
20,
21,
22,
23,
24,
24,
50,
25,
26,
26,
27,
27,
29,
29,
31,
31,
46,
46,
33,
34,
49,
49,
35,
36,
37,
38,
39,
40,
41,
42,
42,
48,
43,
45,
45
],
[
2,
4,
1,
6,
3,
8,
5,
10,
47,
7,
12,
33,
9,
47,
14,
11,
32,
13,
46,
18,
25,
26,
51,
20,
17,
22,
19,
24,
21,
50,
26,
16,
23,
28,
30,
50,
25,
27,
30,
27,
28,
9,
10,
15,
36,
43,
44,
49,
38,
35,
40,
37,
42,
39,
48,
44,
34,
41,
48,
43
]
] |
[
[
2.189133644104004
],
[
2.163830280303955
],
[
2.189133644104004
],
[
2.054388999938965
],
[
2.163830280303955
],
[
2.1002049446105957
],
[
2.054388999938965
],
[
2.3112378120422363
],
[
2.060391664505005
],
[
2.1002049446105957
],
[
1.8610821962356567
],
[
1.8784335851669312
],
[
2.3112378120422363
],
[
1.9115298986434937
],
[
1.8584500551223755
],
[
1.8610821962356567
],
[
1.914958119392395
],
[
1.8584500551223755
],
[
1.8784335851669312
],
[
2.114457607269287
],
[
2.1327173709869385
],
[
2.1101808547973633
],
[
2.0451059341430664
],
[
2.1017236709594727
],
[
2.114457607269287
],
[
2.090181350708008
],
[
2.1017236709594727
],
[
2.08198618888855
],
[
2.090181350708008
],
[
2.1327173709869385
],
[
2.0393736362457275
],
[
2.0451059341430664
],
[
2.08198618888855
],
[
2.0466675758361816
],
[
2.041869640350342
],
[
2.1101808547973633
],
[
2.0393736362457275
],
[
2.0466675758361816
],
[
2.1929221153259277
],
[
2.041869640350342
],
[
2.1929221153259277
],
[
2.060391664505005
],
[
1.9115298986434937
],
[
1.914958119392395
],
[
2.0980582237243652
],
[
2.10599422454834
],
[
2.1506383419036865
],
[
2.0762343406677246
],
[
2.0973381996154785
],
[
2.0980582237243652
],
[
2.0947365760803223
],
[
2.0973381996154785
],
[
2.0934011936187744
],
[
2.0947365760803223
],
[
2.10599422454834
],
[
2.0265278816223145
],
[
2.0762343406677246
],
[
2.0934011936187744
],
[
2.1506383419036865
],
[
2.0265278816223145
]
] |
O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
5,
8,
8,
9,
9,
10,
10,
11,
10,
12,
4,
13,
13,
14,
14,
1
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
5,
9,
8,
10,
9,
11,
10,
12,
10,
13,
4,
14,
13,
1,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
4,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
29,
3,
3,
4,
5,
6,
6,
7,
8,
8,
8,
24,
9,
9,
14,
11,
11,
11,
13,
13,
13,
15,
15,
15,
16,
17,
18,
18,
19,
21,
21,
23,
23,
25,
25,
26,
28,
28,
27
],
[
2,
29,
4,
27,
1,
29,
6,
3,
8,
24,
5,
10,
12,
14,
26,
7,
24,
16,
9,
12,
14,
9,
10,
14,
9,
10,
12,
18,
15,
20,
22,
17,
19,
22,
19,
20,
7,
8,
28,
1,
2,
25
]
] |
[
[
2.1161227226257324
],
[
2.047640800476074
],
[
2.080472707748413
],
[
2.086815595626831
],
[
2.1161227226257324
],
[
2.1193971633911133
],
[
2.06783127784729
],
[
2.080472707748413
],
[
2.0675907135009766
],
[
2.141993999481201
],
[
2.06783127784729
],
[
1.8809734582901
],
[
1.9042428731918335
],
[
1.933199167251587
],
[
2.069809913635254
],
[
2.0675907135009766
],
[
2.073577404022217
],
[
1.971351981163025
],
[
1.8809734582901
],
[
1.889737844467163
],
[
1.8885300159454346
],
[
1.9042428731918335
],
[
1.889737844467163
],
[
1.96474027633667
],
[
1.933199167251587
],
[
1.8885300159454346
],
[
1.96474027633667
],
[
1.8482186794281006
],
[
1.971351981163025
],
[
2.089672088623047
],
[
2.054980754852295
],
[
1.8482186794281006
],
[
2.089672088623047
],
[
2.0398383140563965
],
[
2.054980754852295
],
[
2.0398383140563965
],
[
2.141993999481201
],
[
2.073577404022217
],
[
2.086815595626831
],
[
2.047640800476074
],
[
2.1193971633911133
],
[
2.069809913635254
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
8,
9,
9,
10,
10,
11,
10,
12,
4,
13,
13,
14,
14,
1
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
9,
8,
10,
9,
11,
10,
12,
10,
13,
4,
14,
13,
1,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
0,
0
] |
[
[
0,
0,
2,
27,
3,
3,
4,
5,
6,
6,
7,
8,
8,
22,
9,
9,
11,
11,
13,
13,
14,
16,
16,
17,
19,
19,
21,
21,
23,
23,
24,
26,
26,
25
],
[
2,
27,
4,
25,
1,
27,
6,
3,
8,
22,
5,
10,
12,
24,
7,
22,
9,
12,
9,
10,
16,
18,
20,
15,
17,
20,
17,
18,
7,
8,
26,
1,
2,
23
]
] |
[
[
2.1161227226257324
],
[
2.047640800476074
],
[
2.080472707748413
],
[
2.086815595626831
],
[
2.1161227226257324
],
[
2.1193971633911133
],
[
2.06783127784729
],
[
2.080472707748413
],
[
2.0675907135009766
],
[
2.141993999481201
],
[
2.06783127784729
],
[
1.8809734582901
],
[
1.9042428731918335
],
[
2.069809913635254
],
[
2.0675907135009766
],
[
2.073577404022217
],
[
1.8809734582901
],
[
1.889737844467163
],
[
1.9042428731918335
],
[
1.889737844467163
],
[
1.8482186794281006
],
[
2.089672088623047
],
[
2.054980754852295
],
[
1.8482186794281006
],
[
2.089672088623047
],
[
2.0398383140563965
],
[
2.054980754852295
],
[
2.0398383140563965
],
[
2.141993999481201
],
[
2.073577404022217
],
[
2.086815595626831
],
[
2.047640800476074
],
[
2.1193971633911133
],
[
2.069809913635254
]
] |
Cc1ccc(S(=O)(=O)NCB(O)O)cc1
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
4,
14,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
20,
14
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
4,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
14,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
6,
6,
5,
5,
7,
7,
8,
26,
26,
9,
9,
10,
10,
11,
14,
13,
13,
15,
15,
16,
17,
18,
19,
20,
20,
21,
23,
23,
25,
25,
27,
27,
28,
43,
43,
29,
29,
30,
30,
31,
34,
33,
33,
35,
35,
36,
37,
38,
38,
42,
42,
39,
41,
41
],
[
2,
4,
6,
1,
8,
26,
3,
6,
3,
4,
10,
28,
43,
7,
26,
12,
14,
9,
16,
11,
14,
11,
12,
18,
15,
20,
17,
22,
24,
19,
21,
24,
21,
22,
7,
8,
30,
39,
40,
27,
43,
32,
34,
29,
36,
31,
34,
31,
32,
38,
35,
42,
40,
27,
28,
37,
42,
39
]
] |
[
[
1.9907991886138916
],
[
2.1673879623413086
],
[
1.9522624015808105
],
[
1.9907991886138916
],
[
1.985779047012329
],
[
1.9438859224319458
],
[
2.1673879623413086
],
[
2.1634724140167236
],
[
1.9522624015808105
],
[
2.1634724140167236
],
[
2.1010522842407227
],
[
2.1083626747131348
],
[
2.1100316047668457
],
[
1.985779047012329
],
[
1.911090612411499
],
[
2.148742914199829
],
[
1.972684383392334
],
[
2.1010522842407227
],
[
1.9469190835952759
],
[
2.148742914199829
],
[
2.1617202758789062
],
[
1.972684383392334
],
[
2.1617202758789062
],
[
1.884685754776001
],
[
1.9469190835952759
],
[
1.979896903038025
],
[
1.884685754776001
],
[
1.8665120601654053
],
[
1.9344546794891357
],
[
1.979896903038025
],
[
1.8665120601654053
],
[
1.9239585399627686
],
[
1.9344546794891357
],
[
1.9239585399627686
],
[
1.9438859224319458
],
[
1.911090612411499
],
[
2.0935475826263428
],
[
2.122680425643921
],
[
2.087808609008789
],
[
2.1083626747131348
],
[
2.0647010803222656
],
[
2.083744764328003
],
[
2.115337371826172
],
[
2.0935475826263428
],
[
2.0839550495147705
],
[
2.083744764328003
],
[
2.084076166152954
],
[
2.115337371826172
],
[
2.084076166152954
],
[
2.0860400199890137
],
[
2.0839550495147705
],
[
2.122680425643921
],
[
2.0725603103637695
],
[
2.1100316047668457
],
[
2.0647010803222656
],
[
2.0860400199890137
],
[
2.087808609008789
],
[
2.0725603103637695
]
] |
[
[
0,
1,
2,
3,
2,
4,
6,
7,
6,
8,
8,
9,
11,
12,
11,
13,
14,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
20,
14
],
[
1,
0,
3,
2,
4,
2,
7,
6,
8,
6,
9,
8,
12,
11,
13,
11,
15,
14,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
14,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
2,
3,
3,
3,
3,
4,
5,
5,
5,
6,
6,
6,
6,
6,
6,
6,
6
] |
[
[
3,
5,
8,
7,
9,
11,
13,
15,
16,
31,
31,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
25,
26,
26,
30,
27,
29,
29
],
[
4,
2,
10,
8,
6,
9,
14,
12,
18,
27,
28,
31,
20,
22,
17,
24,
19,
22,
19,
20,
26,
23,
30,
28,
16,
25,
30,
27
]
] |
[
[
2.1634724140167236
],
[
2.1634724140167236
],
[
1.9469190835952759
],
[
2.1617202758789062
],
[
2.1617202758789062
],
[
1.9469190835952759
],
[
1.9239585399627686
],
[
1.9239585399627686
],
[
2.0935475826263428
],
[
2.122680425643921
],
[
2.087808609008789
],
[
2.0647010803222656
],
[
2.083744764328003
],
[
2.115337371826172
],
[
2.0935475826263428
],
[
2.0839550495147705
],
[
2.083744764328003
],
[
2.084076166152954
],
[
2.115337371826172
],
[
2.084076166152954
],
[
2.0860400199890137
],
[
2.0839550495147705
],
[
2.122680425643921
],
[
2.0725603103637695
],
[
2.0647010803222656
],
[
2.0860400199890137
],
[
2.087808609008789
],
[
2.0725603103637695
]
] |
COC(=O)C(NC(=O)CCOC(C)C)c1cc(F)ccc1F
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
12,
14,
12,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
6,
1,
20,
15,
9,
4
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
12,
15,
12,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
1,
6,
15,
20,
4,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
41,
41,
3,
3,
4,
5,
6,
6,
7,
8,
45,
45,
45,
9,
9,
10,
10,
40,
40,
11,
12,
13,
13,
14,
15,
16,
16,
16,
44,
44,
17,
20,
19,
19,
19,
21,
21,
21,
22,
22,
22,
23,
28,
28,
25,
25,
25,
27,
27,
27,
29,
29,
29,
30,
43,
31,
31,
32,
33,
34,
35,
36,
37,
38,
42,
42,
39
],
[
2,
41,
4,
11,
12,
1,
41,
6,
3,
8,
45,
5,
10,
17,
18,
20,
7,
45,
40,
12,
1,
2,
9,
14,
40,
11,
16,
13,
44,
18,
20,
7,
8,
15,
22,
44,
17,
20,
44,
17,
18,
24,
26,
28,
21,
30,
43,
23,
26,
28,
23,
24,
28,
23,
24,
26,
32,
39,
29,
43,
34,
31,
36,
33,
38,
35,
42,
29,
30,
37
]
] |
[
[
1.9285197257995605
],
[
1.9495022296905518
],
[
1.9763391017913818
],
[
1.9427889585494995
],
[
2.007533550262451
],
[
1.9285197257995605
],
[
1.986892580986023
],
[
1.984222173690796
],
[
1.9763391017913818
],
[
1.853796362876892
],
[
1.9947243928909302
],
[
1.984222173690796
],
[
1.8754756450653076
],
[
1.8754783868789673
],
[
1.9675825834274292
],
[
2.0001842975616455
],
[
1.853796362876892
],
[
1.9193005561828613
],
[
1.9427889585494995
],
[
1.8688377141952515
],
[
1.9495022296905518
],
[
1.986892580986023
],
[
1.8754756450653076
],
[
1.9001812934875488
],
[
2.007533550262451
],
[
1.8688377141952515
],
[
1.9110331535339355
],
[
1.9001812934875488
],
[
1.8754783868789673
],
[
1.8901962041854858
],
[
1.7941714525222778
],
[
1.9947243928909302
],
[
1.9193005561828613
],
[
1.9110331535339355
],
[
2.0642828941345215
],
[
1.9675825834274292
],
[
1.8901962041854858
],
[
1.92429518699646
],
[
2.0001842975616455
],
[
1.7941714525222778
],
[
1.92429518699646
],
[
1.8760311603546143
],
[
1.9149861335754395
],
[
1.8388229608535767
],
[
2.0642828941345215
],
[
2.0968446731567383
],
[
2.0787949562072754
],
[
1.8760311603546143
],
[
2.0928518772125244
],
[
1.845883846282959
],
[
1.9149861335754395
],
[
2.0928518772125244
],
[
1.878617763519287
],
[
1.8388229608535767
],
[
1.845883846282959
],
[
1.878617763519287
],
[
2.0843682289123535
],
[
2.084862470626831
],
[
2.0968446731567383
],
[
2.1069250106811523
],
[
2.0957448482513428
],
[
2.0843682289123535
],
[
2.098975658416748
],
[
2.0957448482513428
],
[
2.094956159591675
],
[
2.098975658416748
],
[
2.084862470626831
],
[
2.0787949562072754
],
[
2.1069250106811523
],
[
2.094956159591675
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
11,
12,
12,
13,
12,
14,
12,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
6,
1,
20,
15,
9,
4
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
12,
11,
13,
12,
14,
12,
15,
12,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
1,
6,
15,
20,
4,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] |
[
[
0,
0,
2,
39,
39,
3,
3,
4,
5,
6,
6,
7,
8,
43,
43,
9,
9,
10,
10,
38,
38,
11,
12,
13,
13,
14,
15,
16,
16,
42,
42,
17,
19,
19,
20,
20,
20,
26,
26,
23,
23,
23,
25,
25,
25,
27,
27,
27,
28,
41,
29,
29,
30,
31,
32,
33,
34,
35,
36,
40,
40,
37
],
[
2,
39,
4,
11,
12,
1,
39,
6,
3,
8,
43,
5,
10,
17,
18,
7,
43,
38,
12,
1,
2,
9,
14,
38,
11,
16,
13,
42,
18,
7,
8,
15,
42,
17,
22,
24,
26,
28,
41,
21,
24,
26,
21,
22,
26,
21,
22,
24,
30,
37,
27,
41,
32,
29,
34,
31,
36,
33,
40,
27,
28,
35
]
] |
[
[
1.9285197257995605
],
[
1.9495022296905518
],
[
1.9763391017913818
],
[
1.9427889585494995
],
[
2.007533550262451
],
[
1.9285197257995605
],
[
1.986892580986023
],
[
1.984222173690796
],
[
1.9763391017913818
],
[
1.853796362876892
],
[
1.9947243928909302
],
[
1.984222173690796
],
[
1.8754756450653076
],
[
1.8754783868789673
],
[
1.9675825834274292
],
[
1.853796362876892
],
[
1.9193005561828613
],
[
1.9427889585494995
],
[
1.8688377141952515
],
[
1.9495022296905518
],
[
1.986892580986023
],
[
1.8754756450653076
],
[
1.9001812934875488
],
[
2.007533550262451
],
[
1.8688377141952515
],
[
1.9110331535339355
],
[
1.9001812934875488
],
[
1.8754783868789673
],
[
1.8901962041854858
],
[
1.9947243928909302
],
[
1.9193005561828613
],
[
1.9110331535339355
],
[
1.9675825834274292
],
[
1.8901962041854858
],
[
1.8760311603546143
],
[
1.9149861335754395
],
[
1.8388229608535767
],
[
2.0968446731567383
],
[
2.0787949562072754
],
[
1.8760311603546143
],
[
2.0928518772125244
],
[
1.845883846282959
],
[
1.9149861335754395
],
[
2.0928518772125244
],
[
1.878617763519287
],
[
1.8388229608535767
],
[
1.845883846282959
],
[
1.878617763519287
],
[
2.0843682289123535
],
[
2.084862470626831
],
[
2.0968446731567383
],
[
2.1069250106811523
],
[
2.0957448482513428
],
[
2.0843682289123535
],
[
2.098975658416748
],
[
2.0957448482513428
],
[
2.094956159591675
],
[
2.098975658416748
],
[
2.084862470626831
],
[
2.0787949562072754
],
[
2.1069250106811523
],
[
2.094956159591675
]
] |
CC1CCC2CC1OOC2(C)CS(=O)(=O)c1ccccc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
4,
22,
22,
23,
23,
1,
21,
11,
21,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
4,
23,
22,
1,
23,
11,
21,
15,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
47,
3,
3,
4,
5,
6,
6,
7,
8,
42,
9,
9,
10,
11,
12,
13,
14,
15,
16,
16,
17,
20,
20,
19,
19,
21,
21,
22,
22,
49,
49,
23,
23,
26,
25,
25,
27,
27,
28,
28,
29,
30,
51,
51,
31,
31,
32,
33,
34,
34,
35,
38,
37,
37,
39,
39,
40,
40,
48,
48,
50,
50,
41,
43,
43,
44,
46,
46,
45
],
[
2,
47,
4,
45,
1,
47,
6,
3,
8,
42,
5,
10,
44,
7,
42,
12,
9,
14,
11,
16,
13,
18,
20,
15,
22,
49,
17,
20,
17,
18,
24,
26,
50,
41,
21,
49,
28,
23,
26,
23,
24,
30,
51,
27,
32,
48,
41,
29,
51,
34,
31,
36,
38,
33,
40,
35,
38,
35,
36,
48,
50,
21,
22,
29,
30,
39,
7,
8,
46,
1,
2,
43
]
] |
[
[
2.1036362648010254
],
[
2.103316307067871
],
[
2.106804132461548
],
[
2.0994713306427
],
[
2.1036362648010254
],
[
2.0751874446868896
],
[
2.0974550247192383
],
[
2.106804132461548
],
[
2.2012217044830322
],
[
2.080277681350708
],
[
2.0974550247192383
],
[
2.0423710346221924
],
[
2.1068971157073975
],
[
2.2012217044830322
],
[
2.0016486644744873
],
[
1.886338472366333
],
[
2.0423710346221924
],
[
1.9429523944854736
],
[
1.886338472366333
],
[
2.118532657623291
],
[
1.9429523944854736
],
[
2.1191024780273438
],
[
2.0041089057922363
],
[
2.118532657623291
],
[
2.2822163105010986
],
[
2.1773667335510254
],
[
2.1191024780273438
],
[
2.1595852375030518
],
[
2.0041089057922363
],
[
2.1595852375030518
],
[
2.2688069343566895
],
[
1.9426517486572266
],
[
1.8648231029510498
],
[
2.2811503410339355
],
[
2.2822163105010986
],
[
1.823183536529541
],
[
1.8424012660980225
],
[
2.2688069343566895
],
[
2.0714402198791504
],
[
1.9426517486572266
],
[
2.0714402198791504
],
[
2.2791824340820312
],
[
1.9508821964263916
],
[
1.8424012660980225
],
[
2.0938401222229004
],
[
1.8648231029510498
],
[
2.1369564533233643
],
[
2.2791824340820312
],
[
2.0530943870544434
],
[
2.1220836639404297
],
[
2.0938401222229004
],
[
2.059807062149048
],
[
2.064675807952881
],
[
2.1220836639404297
],
[
2.09565806388855
],
[
2.059807062149048
],
[
2.1586782932281494
],
[
2.064675807952881
],
[
2.1586782932281494
],
[
2.2811503410339355
],
[
2.1369564533233643
],
[
2.1773667335510254
],
[
1.823183536529541
],
[
1.9508821964263916
],
[
2.0530943870544434
],
[
2.09565806388855
],
[
2.080277681350708
],
[
2.0016486644744873
],
[
2.0994713306427
],
[
2.103316307067871
],
[
2.0751874446868896
],
[
2.1068971157073975
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
6,
7,
9,
10,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
4,
22,
22,
23,
23,
1,
21,
11,
21,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
7,
6,
10,
9,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
4,
23,
22,
1,
23,
11,
21,
15,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
2,
2,
3,
4,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
0,
0
] |
[
[
0,
0,
2,
37,
3,
3,
4,
5,
6,
7,
32,
12,
12,
39,
39,
13,
16,
15,
15,
17,
17,
18,
18,
19,
20,
41,
41,
21,
21,
22,
23,
24,
24,
25,
28,
27,
27,
29,
29,
30,
30,
38,
40,
40,
31,
33,
34,
36,
36,
35
],
[
2,
37,
4,
35,
1,
37,
6,
3,
32,
5,
34,
14,
16,
40,
31,
39,
18,
13,
16,
13,
14,
20,
41,
17,
22,
38,
31,
19,
41,
24,
21,
26,
28,
23,
30,
25,
28,
25,
26,
38,
40,
12,
19,
20,
29,
7,
36,
1,
2,
33
]
] |
[
[
2.1036362648010254
],
[
2.103316307067871
],
[
2.106804132461548
],
[
2.0994713306427
],
[
2.1036362648010254
],
[
2.0751874446868896
],
[
2.0974550247192383
],
[
2.106804132461548
],
[
2.080277681350708
],
[
2.0974550247192383
],
[
2.1068971157073975
],
[
2.2688069343566895
],
[
1.9426517486572266
],
[
1.8648231029510498
],
[
2.2811503410339355
],
[
1.823183536529541
],
[
1.8424012660980225
],
[
2.2688069343566895
],
[
2.0714402198791504
],
[
1.9426517486572266
],
[
2.0714402198791504
],
[
2.2791824340820312
],
[
1.9508821964263916
],
[
1.8424012660980225
],
[
2.0938401222229004
],
[
1.8648231029510498
],
[
2.1369564533233643
],
[
2.2791824340820312
],
[
2.0530943870544434
],
[
2.1220836639404297
],
[
2.0938401222229004
],
[
2.059807062149048
],
[
2.064675807952881
],
[
2.1220836639404297
],
[
2.09565806388855
],
[
2.059807062149048
],
[
2.1586782932281494
],
[
2.064675807952881
],
[
2.1586782932281494
],
[
2.2811503410339355
],
[
2.1369564533233643
],
[
1.823183536529541
],
[
1.9508821964263916
],
[
2.0530943870544434
],
[
2.09565806388855
],
[
2.080277681350708
],
[
2.0994713306427
],
[
2.103316307067871
],
[
2.0751874446868896
],
[
2.1068971157073975
]
] |
Cc1ccc(OCCNC(=O)c2c(C)nc3ccc(C)cn23)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
14,
19,
19,
20,
11,
21,
21,
22,
7,
23,
23,
2,
22,
8,
20,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
14,
20,
19,
21,
11,
22,
21,
23,
7,
2,
23,
8,
22,
11,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
47,
5,
5,
6,
7,
8,
8,
9,
12,
12,
11,
11,
13,
13,
14,
14,
44,
15,
15,
16,
49,
17,
17,
18,
19,
20,
20,
20,
21,
22,
51,
40,
23,
23,
23,
24,
25,
26,
26,
27,
28,
36,
29,
29,
30,
30,
31,
33,
33,
35,
35,
37,
37,
38,
50,
50,
50,
39,
41,
41,
41,
42,
48,
48,
43,
46,
46,
45,
45
],
[
2,
4,
47,
1,
6,
45,
3,
47,
8,
5,
10,
12,
7,
14,
44,
9,
12,
9,
10,
16,
49,
46,
13,
44,
18,
43,
15,
49,
20,
17,
22,
51,
40,
19,
24,
39,
42,
21,
51,
40,
26,
23,
28,
36,
25,
30,
38,
27,
36,
32,
34,
29,
31,
34,
31,
32,
27,
28,
50,
21,
22,
40,
37,
21,
22,
51,
48,
15,
16,
41,
3,
4,
13,
14
]
] |
[
[
2.043964385986328
],
[
1.9978667497634888
],
[
2.2008872032165527
],
[
2.043964385986328
],
[
2.0970444679260254
],
[
2.1329922676086426
],
[
1.9978667497634888
],
[
2.0843944549560547
],
[
2.0981855392456055
],
[
2.0970444679260254
],
[
2.023817539215088
],
[
2.1181650161743164
],
[
2.0981855392456055
],
[
2.1461353302001953
],
[
2.0353446006774902
],
[
2.023817539215088
],
[
2.139817714691162
],
[
2.1181650161743164
],
[
2.139817714691162
],
[
2.098968982696533
],
[
2.0514817237854004
],
[
2.1329922676086426
],
[
2.1461353302001953
],
[
2.101675271987915
],
[
1.9048584699630737
],
[
1.9307217597961426
],
[
2.098968982696533
],
[
2.0502939224243164
],
[
1.955372929573059
],
[
1.9048584699630737
],
[
1.889324426651001
],
[
1.9097368717193604
],
[
1.9137412309646606
],
[
1.955372929573059
],
[
1.9943907260894775
],
[
1.9753998517990112
],
[
1.9672811031341553
],
[
1.889324426651001
],
[
1.8930929899215698
],
[
1.9455968141555786
],
[
1.9599583148956299
],
[
1.9943907260894775
],
[
1.9204885959625244
],
[
1.926276445388794
],
[
1.9599583148956299
],
[
1.9712870121002197
],
[
1.9438329935073853
],
[
1.9204885959625244
],
[
1.9466733932495117
],
[
2.2277579307556152
],
[
1.9520848989486694
],
[
1.9712870121002197
],
[
2.2277579307556152
],
[
2.102996826171875
],
[
1.9520848989486694
],
[
2.102996826171875
],
[
1.926276445388794
],
[
1.9466733932495117
],
[
1.9753998517990112
],
[
1.9097368717193604
],
[
1.8930929899215698
],
[
1.9118613004684448
],
[
1.9438329935073853
],
[
1.9137412309646606
],
[
1.9455968141555786
],
[
1.9118613004684448
],
[
1.9307217597961426
],
[
2.0514817237854004
],
[
2.0502939224243164
],
[
1.9672811031341553
],
[
2.2008872032165527
],
[
2.0843944549560547
],
[
2.0353446006774902
],
[
2.101675271987915
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
15,
16,
16,
17,
16,
18,
14,
19,
19,
20,
11,
21,
21,
22,
7,
23,
23,
2,
22,
8,
20,
11
],
[
1,
0,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
16,
15,
17,
16,
18,
16,
19,
14,
20,
19,
21,
11,
22,
21,
23,
7,
2,
23,
8,
22,
11,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
2,
2,
2,
2,
1
] |
[
[
2,
41,
3,
4,
5,
6,
6,
7,
10,
9,
9,
11,
11,
38,
12,
43,
13,
14,
15,
16,
16,
16,
17,
18,
45,
34,
19,
19,
19,
20,
21,
22,
23,
30,
24,
24,
27,
27,
29,
29,
31,
32,
44,
44,
44,
33,
35,
35,
35,
36,
42,
37,
40,
39
],
[
4,
39,
41,
6,
3,
8,
10,
5,
38,
7,
10,
7,
8,
40,
14,
37,
43,
16,
13,
18,
45,
34,
15,
20,
33,
36,
17,
45,
34,
22,
19,
30,
21,
32,
26,
28,
25,
28,
25,
26,
23,
44,
17,
18,
34,
31,
17,
18,
45,
42,
12,
35,
2,
11
]
] |
[
[
2.0970444679260254
],
[
2.1329922676086426
],
[
2.0843944549560547
],
[
2.0981855392456055
],
[
2.0970444679260254
],
[
2.023817539215088
],
[
2.1181650161743164
],
[
2.0981855392456055
],
[
2.0353446006774902
],
[
2.023817539215088
],
[
2.139817714691162
],
[
2.1181650161743164
],
[
2.139817714691162
],
[
2.1329922676086426
],
[
1.9048584699630737
],
[
1.9307217597961426
],
[
2.0502939224243164
],
[
1.955372929573059
],
[
1.9048584699630737
],
[
1.889324426651001
],
[
1.9097368717193604
],
[
1.9137412309646606
],
[
1.955372929573059
],
[
1.9943907260894775
],
[
1.9753998517990112
],
[
1.9672811031341553
],
[
1.889324426651001
],
[
1.8930929899215698
],
[
1.9455968141555786
],
[
1.9599583148956299
],
[
1.9943907260894775
],
[
1.926276445388794
],
[
1.9599583148956299
],
[
1.9438329935073853
],
[
2.2277579307556152
],
[
1.9520848989486694
],
[
2.2277579307556152
],
[
2.102996826171875
],
[
1.9520848989486694
],
[
2.102996826171875
],
[
1.926276445388794
],
[
1.9753998517990112
],
[
1.9097368717193604
],
[
1.8930929899215698
],
[
1.9118613004684448
],
[
1.9438329935073853
],
[
1.9137412309646606
],
[
1.9455968141555786
],
[
1.9118613004684448
],
[
1.9307217597961426
],
[
2.0502939224243164
],
[
1.9672811031341553
],
[
2.0843944549560547
],
[
2.0353446006774902
]
] |
COc1ccc(Cl)c(N2CCC3(CCC(CC(=O)O)CC3)CC2)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
14,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
8,
26,
26,
27,
26,
28,
4,
29,
29,
30,
30,
1,
28,
5,
18,
9,
24,
20,
17,
12,
25,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
14,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
8,
27,
26,
28,
26,
29,
4,
30,
29,
1,
30,
5,
28,
9,
18,
20,
24,
12,
17,
13,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
61,
3,
3,
4,
5,
6,
6,
7,
8,
8,
56,
9,
9,
10,
63,
11,
11,
12,
13,
14,
14,
15,
16,
16,
50,
50,
17,
17,
18,
65,
19,
19,
20,
21,
22,
22,
23,
24,
24,
69,
69,
25,
25,
26,
26,
71,
27,
27,
28,
28,
36,
29,
29,
32,
32,
31,
31,
68,
68,
33,
33,
34,
64,
64,
35,
35,
37,
37,
38,
38,
39,
40,
67,
67,
41,
41,
42,
43,
44,
45,
46,
46,
66,
66,
47,
48,
70,
70,
49,
49,
51,
51,
54,
53,
53,
62,
62,
55,
55,
57,
57,
58,
60,
60,
59
],
[
2,
61,
4,
59,
1,
61,
6,
3,
8,
56,
5,
10,
63,
58,
7,
56,
12,
55,
9,
63,
14,
11,
16,
50,
13,
18,
65,
52,
54,
15,
50,
20,
35,
17,
65,
22,
19,
24,
69,
21,
26,
71,
33,
34,
23,
69,
28,
36,
49,
25,
71,
30,
32,
38,
27,
36,
68,
34,
29,
32,
23,
24,
29,
30,
64,
17,
18,
68,
33,
27,
28,
40,
67,
37,
42,
47,
48,
39,
67,
44,
41,
46,
43,
66,
48,
39,
40,
45,
70,
25,
26,
66,
47,
15,
16,
62,
51,
54,
9,
10,
51,
52,
7,
8,
60,
1,
2,
57
]
] |
[
[
2.096848249435425
],
[
2.0478010177612305
],
[
2.076162099838257
],
[
2.047207832336426
],
[
2.096848249435425
],
[
2.1385114192962646
],
[
2.0887362957000732
],
[
2.076162099838257
],
[
2.111112356185913
],
[
2.047140598297119
],
[
2.0887362957000732
],
[
2.1430771350860596
],
[
2.0686569213867188
],
[
2.1685404777526855
],
[
2.111112356185913
],
[
2.124805450439453
],
[
2.108081817626953
],
[
2.1241583824157715
],
[
2.1430771350860596
],
[
2.071424961090088
],
[
2.1436123847961426
],
[
2.108081817626953
],
[
2.1038265228271484
],
[
2.084306001663208
],
[
2.1436123847961426
],
[
2.104918956756592
],
[
2.119612216949463
],
[
2.2232322692871094
],
[
2.034640312194824
],
[
2.1038265228271484
],
[
2.0950074195861816
],
[
2.1329917907714844
],
[
2.0907838344573975
],
[
2.104918956756592
],
[
2.05853533744812
],
[
2.0879030227661133
],
[
2.1329917907714844
],
[
2.3416805267333984
],
[
2.067645311355591
],
[
2.0879030227661133
],
[
1.8691338300704956
],
[
2.2606377601623535
],
[
1.8742668628692627
],
[
2.128437042236328
],
[
2.3416805267333984
],
[
1.873833179473877
],
[
1.8960238695144653
],
[
2.159451484680176
],
[
1.900985598564148
],
[
1.8691338300704956
],
[
2.153017044067383
],
[
2.2043046951293945
],
[
1.9108668565750122
],
[
1.8850241899490356
],
[
1.8960238695144653
],
[
2.22703218460083
],
[
1.8742668628692627
],
[
2.280454158782959
],
[
2.2043046951293945
],
[
2.1679182052612305
],
[
2.067645311355591
],
[
1.873833179473877
],
[
1.9108668565750122
],
[
2.1679182052612305
],
[
2.0907838344573975
],
[
2.119612216949463
],
[
2.05853533744812
],
[
2.128437042236328
],
[
2.280454158782959
],
[
2.159451484680176
],
[
2.22703218460083
],
[
2.0016705989837646
],
[
1.9605920314788818
],
[
1.8850241899490356
],
[
1.8182899951934814
],
[
1.8376764059066772
],
[
1.958837628364563
],
[
2.0016705989837646
],
[
1.7712594270706177
],
[
1.8471977710723877
],
[
1.8182899951934814
],
[
1.803438663482666
],
[
1.8471977710723877
],
[
1.8376764059066772
],
[
1.9881683588027954
],
[
1.9605920314788818
],
[
1.7712594270706177
],
[
1.803438663482666
],
[
1.900985598564148
],
[
2.2606377601623535
],
[
2.153017044067383
],
[
1.958837628364563
],
[
1.9881683588027954
],
[
2.084306001663208
],
[
2.0950074195861816
],
[
2.1241583824157715
],
[
2.2232322692871094
],
[
2.0248632431030273
],
[
2.0686569213867188
],
[
2.071424961090088
],
[
2.034640312194824
],
[
2.0248632431030273
],
[
2.047140598297119
],
[
2.124805450439453
],
[
2.047207832336426
],
[
2.0478010177612305
],
[
2.1385114192962646
],
[
2.1685404777526855
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
14,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
8,
26,
26,
27,
26,
28,
4,
29,
29,
30,
30,
1,
28,
5,
18,
9,
24,
20,
17,
12,
25,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
14,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
8,
27,
26,
28,
26,
29,
4,
30,
29,
1,
30,
5,
28,
9,
18,
20,
24,
12,
17,
13,
25
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
1,
1,
1,
0,
0
] |
[
[
0,
0,
2,
57,
3,
3,
4,
5,
6,
7,
52,
8,
59,
9,
10,
11,
12,
13,
46,
46,
14,
61,
15,
16,
17,
18,
18,
19,
20,
20,
65,
65,
21,
21,
22,
22,
67,
23,
23,
24,
24,
32,
25,
25,
28,
28,
27,
27,
64,
64,
29,
29,
30,
60,
31,
31,
33,
33,
34,
34,
35,
36,
63,
63,
37,
37,
38,
39,
40,
41,
42,
42,
62,
62,
43,
44,
66,
66,
45,
45,
47,
50,
49,
49,
58,
51,
51,
53,
54,
56,
56,
55
],
[
2,
57,
4,
55,
1,
57,
6,
3,
52,
5,
54,
10,
51,
59,
12,
9,
46,
11,
48,
50,
16,
31,
61,
18,
15,
20,
65,
17,
22,
67,
29,
30,
19,
65,
24,
32,
45,
21,
67,
26,
28,
34,
23,
32,
64,
30,
25,
28,
19,
20,
25,
26,
60,
14,
64,
29,
23,
24,
36,
63,
33,
38,
43,
44,
35,
63,
40,
37,
42,
39,
62,
44,
35,
36,
41,
66,
21,
22,
62,
43,
13,
58,
47,
50,
8,
47,
48,
7,
56,
1,
2,
53
]
] |
[
[
2.096848249435425
],
[
2.0478010177612305
],
[
2.076162099838257
],
[
2.047207832336426
],
[
2.096848249435425
],
[
2.1385114192962646
],
[
2.0887362957000732
],
[
2.076162099838257
],
[
2.047140598297119
],
[
2.0887362957000732
],
[
2.1685404777526855
],
[
2.108081817626953
],
[
2.1241583824157715
],
[
2.071424961090088
],
[
2.1436123847961426
],
[
2.108081817626953
],
[
2.084306001663208
],
[
2.1436123847961426
],
[
2.2232322692871094
],
[
2.034640312194824
],
[
2.1329917907714844
],
[
2.0907838344573975
],
[
2.05853533744812
],
[
2.0879030227661133
],
[
2.1329917907714844
],
[
2.3416805267333984
],
[
2.067645311355591
],
[
2.0879030227661133
],
[
1.8691338300704956
],
[
2.2606377601623535
],
[
1.8742668628692627
],
[
2.128437042236328
],
[
2.3416805267333984
],
[
1.873833179473877
],
[
1.8960238695144653
],
[
2.159451484680176
],
[
1.900985598564148
],
[
1.8691338300704956
],
[
2.153017044067383
],
[
2.2043046951293945
],
[
1.9108668565750122
],
[
1.8850241899490356
],
[
1.8960238695144653
],
[
2.22703218460083
],
[
1.8742668628692627
],
[
2.280454158782959
],
[
2.2043046951293945
],
[
2.1679182052612305
],
[
2.067645311355591
],
[
1.873833179473877
],
[
1.9108668565750122
],
[
2.1679182052612305
],
[
2.0907838344573975
],
[
2.05853533744812
],
[
2.128437042236328
],
[
2.280454158782959
],
[
2.159451484680176
],
[
2.22703218460083
],
[
2.0016705989837646
],
[
1.9605920314788818
],
[
1.8850241899490356
],
[
1.8182899951934814
],
[
1.8376764059066772
],
[
1.958837628364563
],
[
2.0016705989837646
],
[
1.7712594270706177
],
[
1.8471977710723877
],
[
1.8182899951934814
],
[
1.803438663482666
],
[
1.8471977710723877
],
[
1.8376764059066772
],
[
1.9881683588027954
],
[
1.9605920314788818
],
[
1.7712594270706177
],
[
1.803438663482666
],
[
1.900985598564148
],
[
2.2606377601623535
],
[
2.153017044067383
],
[
1.958837628364563
],
[
1.9881683588027954
],
[
2.084306001663208
],
[
2.1241583824157715
],
[
2.2232322692871094
],
[
2.0248632431030273
],
[
2.071424961090088
],
[
2.034640312194824
],
[
2.0248632431030273
],
[
2.047140598297119
],
[
2.047207832336426
],
[
2.0478010177612305
],
[
2.1385114192962646
],
[
2.1685404777526855
]
] |
Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCCN3C5)c(=O)c2)cn1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
10,
13,
8,
14,
14,
15,
15,
16,
15,
17,
15,
18,
7,
19,
19,
20,
20,
21,
21,
22,
22,
1,
21,
5
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
10,
14,
8,
15,
14,
16,
15,
17,
15,
18,
15,
19,
7,
20,
19,
21,
20,
22,
21,
1,
22,
5,
21
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
45,
3,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
47,
47,
11,
11,
12,
12,
13,
14,
14,
36,
15,
15,
16,
26,
17,
17,
18,
18,
18,
19,
21,
21,
21,
23,
23,
23,
25,
25,
25,
27,
27,
28,
28,
28,
29,
31,
31,
31,
33,
33,
33,
35,
35,
35,
37,
37,
38,
39,
40,
40,
46,
46,
41,
42,
44,
44,
43,
43
],
[
2,
45,
4,
43,
1,
45,
6,
8,
3,
10,
47,
5,
8,
5,
6,
12,
41,
42,
9,
47,
14,
36,
11,
16,
26,
38,
13,
36,
18,
28,
15,
26,
20,
22,
24,
17,
19,
22,
24,
19,
20,
24,
19,
20,
22,
15,
16,
30,
32,
34,
27,
29,
32,
34,
29,
30,
34,
29,
30,
32,
13,
14,
40,
37,
46,
42,
9,
10,
39,
44,
1,
2,
46,
41
]
] |
[
[
2.1088101863861084
],
[
2.1349189281463623
],
[
2.112252712249756
],
[
2.157916784286499
],
[
2.1088101863861084
],
[
2.0394299030303955
],
[
2.072509765625
],
[
2.108889579772949
],
[
2.112252712249756
],
[
2.166422128677368
],
[
2.052898645401001
],
[
2.072509765625
],
[
2.101754903793335
],
[
2.108889579772949
],
[
2.101754903793335
],
[
2.150204658508301
],
[
2.1044468879699707
],
[
2.0949313640594482
],
[
2.166422128677368
],
[
2.0638391971588135
],
[
2.1326684951782227
],
[
2.019681453704834
],
[
2.150204658508301
],
[
2.1333537101745605
],
[
2.135169267654419
],
[
2.1379499435424805
],
[
2.1326684951782227
],
[
2.1308107376098633
],
[
2.01289701461792
],
[
2.01235294342041
],
[
2.1333537101745605
],
[
2.0146312713623047
],
[
1.9658114910125732
],
[
1.9218034744262695
],
[
1.9451316595077515
],
[
2.01289701461792
],
[
1.9658114910125732
],
[
1.8710472583770752
],
[
1.8860373497009277
],
[
1.9218034744262695
],
[
1.8710472583770752
],
[
1.8699157238006592
],
[
1.9451316595077515
],
[
1.8860373497009277
],
[
1.8699157238006592
],
[
2.135169267654419
],
[
2.0146312713623047
],
[
1.9430071115493774
],
[
1.966320276260376
],
[
1.9227797985076904
],
[
2.01235294342041
],
[
1.9430071115493774
],
[
1.8850905895233154
],
[
1.8695197105407715
],
[
1.966320276260376
],
[
1.8850905895233154
],
[
1.8731074333190918
],
[
1.9227797985076904
],
[
1.8695197105407715
],
[
1.8731074333190918
],
[
2.019681453704834
],
[
2.1308107376098633
],
[
2.090197801589966
],
[
2.1379499435424805
],
[
2.1044468879699707
],
[
2.083782196044922
],
[
2.052898645401001
],
[
2.0638391971588135
],
[
2.090197801589966
],
[
2.157916784286499
],
[
2.1349189281463623
],
[
2.0394299030303955
],
[
2.0949313640594482
],
[
2.083782196044922
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
9,
10,
10,
11,
10,
12,
10,
13,
14,
15,
15,
16,
15,
17,
15,
18,
7,
19,
19,
20,
20,
21,
21,
22,
22,
1,
21,
5
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
10,
9,
11,
10,
12,
10,
13,
10,
15,
14,
16,
15,
17,
15,
18,
15,
19,
7,
20,
19,
21,
20,
22,
21,
1,
22,
5,
21
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
0,
0,
0,
0
] |
[
[
0,
0,
2,
39,
3,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
10,
41,
41,
11,
11,
12,
13,
30,
14,
14,
14,
17,
17,
17,
19,
19,
19,
21,
21,
21,
22,
22,
22,
25,
25,
25,
27,
27,
27,
29,
29,
29,
31,
32,
33,
34,
34,
40,
40,
35,
36,
38,
38,
37,
37
],
[
2,
39,
4,
37,
1,
39,
6,
8,
3,
10,
41,
5,
8,
5,
6,
12,
35,
36,
9,
41,
30,
11,
32,
16,
18,
20,
15,
18,
20,
15,
16,
20,
15,
16,
18,
24,
26,
28,
23,
26,
28,
23,
24,
28,
23,
24,
26,
13,
34,
31,
40,
36,
9,
10,
33,
38,
1,
2,
40,
35
]
] |
[
[
2.1088101863861084
],
[
2.1349189281463623
],
[
2.112252712249756
],
[
2.157916784286499
],
[
2.1088101863861084
],
[
2.0394299030303955
],
[
2.072509765625
],
[
2.108889579772949
],
[
2.112252712249756
],
[
2.166422128677368
],
[
2.052898645401001
],
[
2.072509765625
],
[
2.101754903793335
],
[
2.108889579772949
],
[
2.101754903793335
],
[
2.150204658508301
],
[
2.1044468879699707
],
[
2.0949313640594482
],
[
2.166422128677368
],
[
2.0638391971588135
],
[
2.019681453704834
],
[
2.150204658508301
],
[
2.1379499435424805
],
[
1.9658114910125732
],
[
1.9218034744262695
],
[
1.9451316595077515
],
[
1.9658114910125732
],
[
1.8710472583770752
],
[
1.8860373497009277
],
[
1.9218034744262695
],
[
1.8710472583770752
],
[
1.8699157238006592
],
[
1.9451316595077515
],
[
1.8860373497009277
],
[
1.8699157238006592
],
[
1.9430071115493774
],
[
1.966320276260376
],
[
1.9227797985076904
],
[
1.9430071115493774
],
[
1.8850905895233154
],
[
1.8695197105407715
],
[
1.966320276260376
],
[
1.8850905895233154
],
[
1.8731074333190918
],
[
1.9227797985076904
],
[
1.8695197105407715
],
[
1.8731074333190918
],
[
2.019681453704834
],
[
2.090197801589966
],
[
2.1379499435424805
],
[
2.1044468879699707
],
[
2.083782196044922
],
[
2.052898645401001
],
[
2.0638391971588135
],
[
2.090197801589966
],
[
2.157916784286499
],
[
2.1349189281463623
],
[
2.0394299030303955
],
[
2.0949313640594482
],
[
2.083782196044922
]
] |
O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
12,
17,
17,
18,
4,
19,
19,
20,
20,
1,
18,
5,
18,
8
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
12,
18,
17,
19,
4,
20,
19,
1,
20,
5,
18,
8,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
41,
3,
3,
4,
5,
6,
6,
7,
8,
8,
36,
9,
9,
10,
43,
43,
11,
11,
12,
13,
14,
14,
15,
16,
16,
45,
45,
17,
17,
20,
19,
19,
21,
21,
22,
22,
23,
24,
32,
25,
25,
26,
26,
27,
29,
29,
31,
31,
33,
33,
34,
34,
42,
42,
44,
44,
35,
37,
37,
38,
40,
40,
39
],
[
2,
41,
4,
39,
1,
41,
6,
3,
8,
36,
5,
10,
43,
38,
7,
36,
12,
44,
35,
9,
43,
14,
11,
16,
45,
13,
18,
20,
42,
35,
15,
45,
22,
17,
20,
17,
18,
24,
32,
21,
26,
34,
23,
32,
28,
30,
25,
27,
30,
27,
28,
23,
24,
42,
44,
9,
10,
15,
16,
33,
7,
8,
40,
1,
2,
37
]
] |
[
[
2.1034817695617676
],
[
2.1030125617980957
],
[
2.108384132385254
],
[
2.102764129638672
],
[
2.1034817695617676
],
[
2.07560396194458
],
[
2.1003079414367676
],
[
2.108384132385254
],
[
2.130370855331421
],
[
2.0731616020202637
],
[
2.1003079414367676
],
[
2.0878920555114746
],
[
2.258798360824585
],
[
2.105865001678467
],
[
2.130370855331421
],
[
2.079615592956543
],
[
1.829301357269287
],
[
1.8534464836120605
],
[
2.2535061836242676
],
[
2.0878920555114746
],
[
1.936463713645935
],
[
1.9665290117263794
],
[
1.829301357269287
],
[
2.4142565727233887
],
[
1.8389075994491577
],
[
1.9665290117263794
],
[
2.1496777534484863
],
[
2.121875286102295
],
[
1.8534464836120605
],
[
2.1762020587921143
],
[
2.4142565727233887
],
[
2.0299928188323975
],
[
2.045203447341919
],
[
2.1496777534484863
],
[
2.011603355407715
],
[
2.121875286102295
],
[
2.011603355407715
],
[
2.016388177871704
],
[
2.2140800952911377
],
[
2.045203447341919
],
[
1.7551007270812988
],
[
1.9789155721664429
],
[
2.016388177871704
],
[
2.0525903701782227
],
[
1.934467077255249
],
[
1.8888461589813232
],
[
1.7551007270812988
],
[
1.934467077255249
],
[
1.926547884941101
],
[
1.8888461589813232
],
[
1.926547884941101
],
[
2.2140800952911377
],
[
2.0525903701782227
],
[
2.2535061836242676
],
[
2.1762020587921143
],
[
2.258798360824585
],
[
1.936463713645935
],
[
1.8389075994491577
],
[
2.0299928188323975
],
[
1.9789155721664429
],
[
2.0731616020202637
],
[
2.079615592956543
],
[
2.102764129638672
],
[
2.1030125617980957
],
[
2.07560396194458
],
[
2.105865001678467
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
14,
15,
14,
16,
12,
17,
17,
18,
4,
19,
19,
20,
20,
1,
18,
5,
18,
8
],
[
1,
0,
2,
1,
3,
2,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
15,
14,
16,
14,
17,
12,
18,
17,
19,
4,
20,
19,
1,
20,
5,
18,
8,
18
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
3,
3,
1,
1,
0,
0
] |
[
[
0,
0,
2,
35,
3,
3,
4,
5,
6,
7,
30,
8,
37,
37,
9,
10,
11,
12,
12,
13,
14,
14,
39,
39,
15,
15,
18,
17,
17,
19,
19,
20,
21,
26,
23,
25,
27,
28,
28,
36,
38,
38,
29,
31,
32,
34,
34,
33
],
[
2,
35,
4,
33,
1,
35,
6,
3,
30,
5,
32,
10,
38,
29,
37,
12,
9,
14,
39,
11,
16,
18,
36,
29,
13,
39,
20,
15,
18,
15,
16,
26,
19,
28,
24,
22,
21,
36,
38,
8,
13,
14,
27,
7,
34,
1,
2,
31
]
] |
[
[
2.1034817695617676
],
[
2.1030125617980957
],
[
2.108384132385254
],
[
2.102764129638672
],
[
2.1034817695617676
],
[
2.07560396194458
],
[
2.1003079414367676
],
[
2.108384132385254
],
[
2.0731616020202637
],
[
2.1003079414367676
],
[
2.105865001678467
],
[
1.829301357269287
],
[
1.8534464836120605
],
[
2.2535061836242676
],
[
1.936463713645935
],
[
1.9665290117263794
],
[
1.829301357269287
],
[
2.4142565727233887
],
[
1.8389075994491577
],
[
1.9665290117263794
],
[
2.1496777534484863
],
[
2.121875286102295
],
[
1.8534464836120605
],
[
2.1762020587921143
],
[
2.4142565727233887
],
[
2.0299928188323975
],
[
2.045203447341919
],
[
2.1496777534484863
],
[
2.011603355407715
],
[
2.121875286102295
],
[
2.011603355407715
],
[
2.2140800952911377
],
[
2.045203447341919
],
[
1.9789155721664429
],
[
1.926547884941101
],
[
1.926547884941101
],
[
2.2140800952911377
],
[
2.2535061836242676
],
[
2.1762020587921143
],
[
1.936463713645935
],
[
1.8389075994491577
],
[
2.0299928188323975
],
[
1.9789155721664429
],
[
2.0731616020202637
],
[
2.102764129638672
],
[
2.1030125617980957
],
[
2.07560396194458
],
[
2.105865001678467
]
] |
Cc1ccc(-n2ncc3c(O)nc(SC(C)C)nc32)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
5,
8,
8,
9,
9,
10,
10,
11,
4,
12,
12,
1,
11,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
5,
9,
8,
10,
9,
11,
10,
12,
4,
1,
12,
9,
11
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
25,
3,
3,
4,
5,
6,
6,
7,
8,
8,
8,
22,
9,
9,
14,
11,
11,
11,
13,
13,
13,
15,
15,
15,
16,
16,
17,
18,
27,
19,
19,
20,
26,
26,
21,
24,
24,
23,
23
],
[
2,
25,
4,
23,
1,
25,
6,
3,
8,
22,
5,
10,
12,
14,
24,
7,
22,
16,
9,
12,
14,
9,
10,
14,
9,
10,
12,
18,
27,
15,
20,
21,
17,
27,
26,
17,
18,
19,
1,
2,
7,
8
]
] |
[
[
2.2434115409851074
],
[
2.0919291973114014
],
[
1.9563137292861938
],
[
1.614745855331421
],
[
2.2434115409851074
],
[
1.9478181600570679
],
[
1.9632840156555176
],
[
1.9563137292861938
],
[
2.2922251224517822
],
[
1.942592740058899
],
[
1.9632840156555176
],
[
1.8845325708389282
],
[
1.8306028842926025
],
[
1.8815866708755493
],
[
1.614745855331421
],
[
2.2922251224517822
],
[
2.048276424407959
],
[
2.0220413208007812
],
[
1.8845325708389282
],
[
2.113947629928589
],
[
1.8915972709655762
],
[
1.8306028842926025
],
[
2.113947629928589
],
[
1.850569486618042
],
[
1.8815866708755493
],
[
1.8915972709655762
],
[
1.850569486618042
],
[
2.0871992111206055
],
[
2.1123175621032715
],
[
2.0220413208007812
],
[
1.0468651056289673
],
[
1.0495764017105103
],
[
2.0871992111206055
],
[
1.045174241065979
],
[
1.0495764017105103
],
[
2.1123175621032715
],
[
1.045174241065979
],
[
1.0468651056289673
],
[
2.0919291973114014
],
[
1.9478181600570679
],
[
1.942592740058899
],
[
2.048276424407959
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
9,
10,
10,
11,
4,
12,
12,
1,
11,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
10,
9,
11,
10,
12,
4,
1,
12,
9,
11
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
0
] |
[
[
0,
0,
2,
21,
3,
3,
4,
5,
6,
6,
7,
8,
8,
18,
9,
9,
11,
11,
13,
13,
14,
23,
15,
16,
22,
17,
20,
20,
19,
19
],
[
2,
21,
4,
19,
1,
21,
6,
3,
8,
18,
5,
10,
12,
20,
7,
18,
9,
12,
9,
10,
16,
17,
23,
22,
14,
15,
1,
2,
7,
8
]
] |
[
[
2.2434115409851074
],
[
2.0919291973114014
],
[
1.9563137292861938
],
[
1.614745855331421
],
[
2.2434115409851074
],
[
1.9478181600570679
],
[
1.9632840156555176
],
[
1.9563137292861938
],
[
2.2922251224517822
],
[
1.942592740058899
],
[
1.9632840156555176
],
[
1.8845325708389282
],
[
1.8306028842926025
],
[
1.614745855331421
],
[
2.2922251224517822
],
[
2.048276424407959
],
[
1.8845325708389282
],
[
2.113947629928589
],
[
1.8306028842926025
],
[
2.113947629928589
],
[
1.0468651056289673
],
[
1.0495764017105103
],
[
1.045174241065979
],
[
1.0495764017105103
],
[
1.045174241065979
],
[
1.0468651056289673
],
[
2.0919291973114014
],
[
1.9478181600570679
],
[
1.942592740058899
],
[
2.048276424407959
]
] |
Cc1ccc(S(=O)(=O)NC2CC2)s1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
6,
0,
3,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
2,
0,
2,
0,
0
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
19
],
[
2,
4,
6,
1,
4,
1,
2,
8,
5,
10,
7,
12,
9,
14,
11,
16,
13,
18,
15,
17
]
] |
[
[
1.8890149593353271
],
[
1.9718117713928223
],
[
1.9706182479858398
],
[
1.8890149593353271
],
[
1.9157841205596924
],
[
1.9718117713928223
],
[
1.9157841205596924
],
[
1.9127610921859741
],
[
1.9706182479858398
],
[
1.9346100091934204
],
[
1.9127610921859741
],
[
1.9084137678146362
],
[
1.9346100091934204
],
[
2.001103162765503
],
[
1.9084137678146362
],
[
2.0123674869537354
],
[
2.001103162765503
],
[
1.9563251733779907
],
[
2.0123674869537354
],
[
1.9563251733779907
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
6,
7,
7,
8,
8,
9,
9,
10
],
[
1,
0,
2,
1,
3,
1,
4,
3,
7,
6,
8,
7,
9,
8,
10,
9
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2
] |
[
[
0,
0,
4,
3,
3,
5,
5,
7,
8,
10,
11,
12,
13,
15
],
[
2,
4,
6,
1,
4,
1,
2,
5,
10,
12,
9,
14,
11,
13
]
] |
[
[
1.8890149593353271
],
[
1.9718117713928223
],
[
1.9706182479858398
],
[
1.8890149593353271
],
[
1.9157841205596924
],
[
1.9718117713928223
],
[
1.9157841205596924
],
[
1.9706182479858398
],
[
2.001103162765503
],
[
2.0123674869537354
],
[
2.001103162765503
],
[
1.9563251733779907
],
[
2.0123674869537354
],
[
1.9563251733779907
]
] |
CC(N)CCNCCCCN
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
4,
11,
11,
12,
12,
13,
13,
14,
14,
15,
1,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
24,
30,
19,
31,
31,
32,
32,
33,
33,
34,
15,
4,
31,
16,
34,
32,
10,
5,
30,
20,
29,
25
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
4,
12,
11,
13,
12,
14,
13,
15,
14,
16,
1,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
24,
31,
19,
32,
31,
33,
32,
34,
33,
4,
15,
16,
31,
32,
34,
5,
10,
20,
30,
25,
29
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
30,
30,
3,
3,
4,
5,
6,
6,
6,
7,
8,
8,
20,
69,
9,
9,
9,
10,
75,
11,
11,
12,
13,
14,
15,
16,
17,
18,
74,
74,
19,
21,
21,
21,
22,
23,
24,
25,
26,
27,
28,
68,
68,
68,
29,
31,
31,
32,
71,
71,
33,
33,
34,
35,
36,
36,
37,
38,
38,
60,
60,
39,
39,
40,
77,
41,
41,
42,
43,
44,
45,
46,
46,
47,
48,
48,
58,
49,
49,
50,
79,
51,
51,
52,
53,
54,
55,
56,
78,
78,
57,
76,
76,
59,
59,
70,
70,
61,
61,
62,
62,
63,
63,
64,
73,
65,
65,
66,
72,
72,
67
],
[
2,
30,
4,
32,
71,
1,
30,
6,
3,
8,
20,
69,
5,
10,
75,
22,
29,
7,
20,
69,
12,
19,
9,
75,
14,
11,
16,
13,
18,
15,
74,
9,
10,
17,
7,
8,
69,
24,
21,
26,
23,
28,
25,
68,
7,
8,
20,
27,
1,
2,
34,
61,
62,
31,
71,
36,
33,
38,
60,
35,
40,
77,
70,
62,
37,
60,
42,
59,
39,
77,
44,
41,
46,
43,
48,
58,
45,
50,
79,
76,
47,
58,
52,
57,
49,
79,
54,
51,
56,
53,
78,
49,
50,
55,
39,
40,
47,
48,
31,
32,
37,
38,
64,
73,
70,
61,
66,
67,
63,
73,
72,
63,
64,
65
]
] |
[
[
2.142333984375
],
[
2.1185708045959473
],
[
2.0923428535461426
],
[
2.1749706268310547
],
[
2.2984085083007812
],
[
2.142333984375
],
[
2.0196502208709717
],
[
2.011927366256714
],
[
2.0923428535461426
],
[
1.9773845672607422
],
[
1.892530918121338
],
[
1.9175050258636475
],
[
2.011927366256714
],
[
2.1159491539001465
],
[
2.0765843391418457
],
[
1.9962338209152222
],
[
2.0035288333892822
],
[
1.9773845672607422
],
[
1.8640830516815186
],
[
1.935518741607666
],
[
1.9352421760559082
],
[
1.9745848178863525
],
[
2.1159491539001465
],
[
1.9798154830932617
],
[
1.9947344064712524
],
[
1.9352421760559082
],
[
1.981712818145752
],
[
1.9947344064712524
],
[
1.9820878505706787
],
[
1.981712818145752
],
[
1.9745848178863525
],
[
2.0765843391418457
],
[
1.9798154830932617
],
[
1.9820878505706787
],
[
1.892530918121338
],
[
1.8640830516815186
],
[
1.8726106882095337
],
[
1.9468891620635986
],
[
1.9962338209152222
],
[
1.948204517364502
],
[
1.9468891620635986
],
[
1.947556495666504
],
[
1.948204517364502
],
[
2.0035288333892822
],
[
1.9175050258636475
],
[
1.935518741607666
],
[
1.8726106882095337
],
[
1.947556495666504
],
[
2.1185708045959473
],
[
2.0196502208709717
],
[
1.9818835258483887
],
[
1.8680670261383057
],
[
2.2172327041625977
],
[
2.1749706268310547
],
[
1.8092597723007202
],
[
1.8230317831039429
],
[
1.9818835258483887
],
[
2.11055850982666
],
[
1.9357569217681885
],
[
1.8230317831039429
],
[
2.0755696296691895
],
[
2.053234338760376
],
[
1.8680670261383057
],
[
2.1977169513702393
],
[
2.11055850982666
],
[
2.2367677688598633
],
[
2.036512851715088
],
[
2.0604612827301025
],
[
2.0755696296691895
],
[
2.154325246810913
],
[
2.1602354049682617
],
[
2.036512851715088
],
[
2.0269370079040527
],
[
2.1602354049682617
],
[
2.172008991241455
],
[
2.1278419494628906
],
[
2.0269370079040527
],
[
2.2304084300994873
],
[
2.1321284770965576
],
[
2.0604612827301025
],
[
2.172008991241455
],
[
1.9833016395568848
],
[
1.9785957336425781
],
[
1.6209101676940918
],
[
2.2304084300994873
],
[
1.920616865158081
],
[
1.9501149654388428
],
[
1.9785957336425781
],
[
1.954370141029358
],
[
1.9501149654388428
],
[
1.6209101676940918
],
[
2.1321284770965576
],
[
1.920616865158081
],
[
1.954370141029358
],
[
2.053234338760376
],
[
2.154325246810913
],
[
2.1278419494628906
],
[
1.9833016395568848
],
[
2.2984085083007812
],
[
1.8092597723007202
],
[
1.9357569217681885
],
[
2.2367677688598633
],
[
2.105222225189209
],
[
2.0557727813720703
],
[
2.2172327041625977
],
[
2.1977169513702393
],
[
1.0550514459609985
],
[
1.0507187843322754
],
[
2.105222225189209
],
[
1.035845398902893
],
[
1.0507187843322754
],
[
2.0557727813720703
],
[
1.035845398902893
],
[
1.0550514459609985
]
] |
[
[
0,
1,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
4,
11,
11,
12,
12,
13,
13,
14,
14,
15,
16,
17,
17,
18,
18,
19,
20,
21,
21,
22,
22,
23,
23,
24,
25,
26,
26,
27,
27,
28,
28,
29,
24,
30,
19,
31,
32,
33,
33,
34,
15,
4,
31,
16,
34,
32,
10,
5,
30,
20,
29,
25
],
[
1,
0,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
4,
12,
11,
13,
12,
14,
13,
15,
14,
17,
16,
18,
17,
19,
18,
21,
20,
22,
21,
23,
22,
24,
23,
26,
25,
27,
26,
28,
27,
29,
28,
30,
24,
31,
19,
33,
32,
34,
33,
4,
15,
16,
31,
32,
34,
5,
10,
20,
30,
25,
29
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
3,
4,
4,
4,
4,
4,
4,
3,
3,
3,
3,
3,
5,
5,
5,
5,
6,
6,
6,
6,
6,
7,
7,
7,
7,
7,
6,
5,
8,
8,
8
] |
[
[
12,
53,
2,
59,
3,
4,
5,
6,
7,
8,
9,
10,
58,
11,
13,
14,
15,
16,
17,
18,
19,
20,
52,
21,
22,
55,
23,
24,
25,
26,
27,
46,
28,
61,
29,
30,
31,
32,
33,
34,
35,
44,
36,
63,
37,
38,
39,
40,
41,
42,
62,
43,
60,
45,
54,
47,
48,
57,
49,
50,
56,
51
],
[
14,
21,
4,
11,
59,
6,
3,
8,
5,
10,
7,
58,
2,
9,
53,
16,
13,
18,
15,
20,
17,
52,
12,
19,
24,
47,
55,
26,
23,
46,
25,
54,
30,
45,
61,
32,
29,
34,
31,
44,
33,
60,
38,
43,
63,
40,
37,
42,
39,
62,
36,
41,
28,
35,
22,
27,
50,
51,
57,
56,
48,
49
]
] |
[
[
1.9962338209152222
],
[
2.0035288333892822
],
[
1.9352421760559082
],
[
1.9745848178863525
],
[
1.9798154830932617
],
[
1.9947344064712524
],
[
1.9352421760559082
],
[
1.981712818145752
],
[
1.9947344064712524
],
[
1.9820878505706787
],
[
1.981712818145752
],
[
1.9745848178863525
],
[
1.9798154830932617
],
[
1.9820878505706787
],
[
1.8726106882095337
],
[
1.9468891620635986
],
[
1.9962338209152222
],
[
1.948204517364502
],
[
1.9468891620635986
],
[
1.947556495666504
],
[
1.948204517364502
],
[
2.0035288333892822
],
[
1.8726106882095337
],
[
1.947556495666504
],
[
1.9818835258483887
],
[
1.8680670261383057
],
[
1.8092597723007202
],
[
1.8230317831039429
],
[
1.9818835258483887
],
[
1.9357569217681885
],
[
1.8230317831039429
],
[
1.8680670261383057
],
[
2.036512851715088
],
[
2.0604612827301025
],
[
2.154325246810913
],
[
2.1602354049682617
],
[
2.036512851715088
],
[
2.0269370079040527
],
[
2.1602354049682617
],
[
2.1278419494628906
],
[
2.0269370079040527
],
[
2.0604612827301025
],
[
1.9785957336425781
],
[
1.6209101676940918
],
[
1.920616865158081
],
[
1.9501149654388428
],
[
1.9785957336425781
],
[
1.954370141029358
],
[
1.9501149654388428
],
[
1.6209101676940918
],
[
1.920616865158081
],
[
1.954370141029358
],
[
2.154325246810913
],
[
2.1278419494628906
],
[
1.8092597723007202
],
[
1.9357569217681885
],
[
1.0550514459609985
],
[
1.0507187843322754
],
[
1.035845398902893
],
[
1.0507187843322754
],
[
1.035845398902893
],
[
1.0550514459609985
]
] |
O=C(NCC1(N2CCOCC2)CCCCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
4,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
1,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
34,
36,
34,
37,
33,
38,
38,
39,
29,
40,
40,
41,
24,
42,
42,
43,
43,
44,
44,
45,
45,
46,
46,
47,
47,
48,
45,
49,
49,
50,
23,
3,
41,
26,
50,
42,
13,
7,
23,
18,
39,
30
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
4,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
1,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
34,
37,
34,
38,
33,
39,
38,
40,
29,
41,
40,
42,
24,
43,
42,
44,
43,
45,
44,
46,
45,
47,
46,
48,
47,
49,
45,
50,
49,
3,
23,
26,
41,
42,
50,
7,
13,
18,
23,
30,
39
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
46,
46,
3,
3,
4,
4,
5,
6,
6,
101,
101,
7,
7,
8,
28,
9,
9,
10,
11,
12,
12,
13,
14,
107,
107,
15,
15,
16,
17,
18,
19,
20,
20,
21,
24,
24,
23,
23,
106,
106,
25,
25,
27,
27,
29,
29,
30,
30,
31,
34,
34,
33,
33,
35,
35,
36,
109,
109,
37,
37,
38,
39,
40,
41,
42,
43,
44,
44,
100,
100,
108,
108,
45,
47,
47,
48,
82,
82,
49,
49,
50,
50,
51,
52,
103,
53,
53,
54,
55,
56,
56,
57,
58,
58,
78,
59,
59,
60,
111,
61,
61,
62,
63,
64,
64,
65,
66,
66,
66,
74,
67,
67,
69,
69,
69,
71,
71,
71,
73,
73,
73,
75,
75,
76,
110,
110,
77,
79,
79,
80,
102,
102,
81,
83,
83,
84,
105,
85,
85,
86,
87,
88,
88,
89,
90,
96,
91,
91,
92,
93,
95,
97,
97,
98,
104,
104,
99
],
[
2,
46,
4,
48,
82,
1,
46,
6,
101,
3,
8,
28,
108,
45,
5,
101,
10,
30,
7,
28,
12,
9,
14,
107,
11,
16,
25,
26,
13,
107,
18,
15,
20,
17,
22,
24,
19,
106,
26,
21,
24,
13,
14,
21,
22,
106,
25,
7,
8,
32,
34,
29,
36,
109,
31,
34,
31,
32,
38,
100,
45,
35,
109,
40,
37,
42,
39,
44,
41,
100,
108,
5,
6,
35,
36,
43,
1,
2,
50,
84,
105,
47,
82,
52,
103,
49,
54,
81,
51,
103,
56,
53,
58,
78,
55,
60,
111,
80,
57,
78,
62,
77,
59,
111,
64,
61,
66,
74,
63,
68,
70,
72,
76,
65,
74,
67,
70,
72,
67,
68,
72,
67,
68,
70,
65,
66,
110,
59,
60,
75,
57,
58,
102,
51,
52,
79,
47,
48,
86,
99,
83,
105,
88,
85,
90,
96,
87,
92,
98,
89,
96,
94,
91,
93,
89,
90,
104,
83,
84,
97
]
] |
[
[
2.106754779815674
],
[
2.1263387203216553
],
[
1.9758859872817993
],
[
2.1540400981903076
],
[
2.081341505050659
],
[
2.106754779815674
],
[
2.050062656402588
],
[
2.1491894721984863
],
[
2.0416994094848633
],
[
1.9758859872817993
],
[
2.0961146354675293
],
[
2.145320415496826
],
[
2.093691825866699
],
[
2.161867618560791
],
[
2.1491894721984863
],
[
2.089331865310669
],
[
1.9515612125396729
],
[
2.097820281982422
],
[
2.0961146354675293
],
[
2.041572332382202
],
[
1.9527182579040527
],
[
1.9515612125396729
],
[
2.1106607913970947
],
[
2.1024458408355713
],
[
1.9527182579040527
],
[
2.1031246185302734
],
[
2.1071934700012207
],
[
2.090517044067383
],
[
2.1106607913970947
],
[
2.0698885917663574
],
[
2.0974631309509277
],
[
2.1031246185302734
],
[
2.084991216659546
],
[
2.0974631309509277
],
[
2.0841763019561768
],
[
2.103620767593384
],
[
2.084991216659546
],
[
2.1071934700012207
],
[
2.085449695587158
],
[
2.0841763019561768
],
[
2.095363140106201
],
[
2.1024458408355713
],
[
2.0698885917663574
],
[
2.103620767593384
],
[
2.095363140106201
],
[
2.090517044067383
],
[
2.085449695587158
],
[
2.145320415496826
],
[
2.041572332382202
],
[
2.097501754760742
],
[
2.0491960048675537
],
[
2.097820281982422
],
[
2.065281867980957
],
[
2.0858259201049805
],
[
2.097501754760742
],
[
2.1364612579345703
],
[
2.0491960048675537
],
[
2.1364612579345703
],
[
2.09451961517334
],
[
2.093691825866699
],
[
2.0276005268096924
],
[
2.065281867980957
],
[
2.1320316791534424
],
[
2.082740545272827
],
[
2.09451961517334
],
[
2.1021342277526855
],
[
2.082740545272827
],
[
2.1272058486938477
],
[
2.1021342277526855
],
[
2.161867618560791
],
[
2.0276005268096924
],
[
2.0416994094848633
],
[
2.089331865310669
],
[
2.0858259201049805
],
[
2.1320316791534424
],
[
2.1272058486938477
],
[
2.1263387203216553
],
[
2.050062656402588
],
[
1.98117196559906
],
[
1.9842784404754639
],
[
1.9786015748977661
],
[
2.1540400981903076
],
[
2.033662796020508
],
[
2.106616735458374
],
[
2.1169023513793945
],
[
1.98117196559906
],
[
2.111443042755127
],
[
2.110100030899048
],
[
2.106616735458374
],
[
2.059602975845337
],
[
2.1147780418395996
],
[
2.111443042755127
],
[
2.118013620376587
],
[
2.052725076675415
],
[
2.1147780418395996
],
[
2.1137094497680664
],
[
2.1125268936157227
],
[
2.117579460144043
],
[
2.118013620376587
],
[
2.1124064922332764
],
[
2.1142477989196777
],
[
2.114969253540039
],
[
2.1137094497680664
],
[
2.056905746459961
],
[
2.1051034927368164
],
[
2.1142477989196777
],
[
2.1082310676574707
],
[
2.0701887607574463
],
[
2.1051034927368164
],
[
1.9611709117889404
],
[
1.9749702215194702
],
[
1.9727892875671387
],
[
2.104806423187256
],
[
2.1082310676574707
],
[
2.104304790496826
],
[
1.9611709117889404
],
[
1.8488647937774658
],
[
1.8492915630340576
],
[
1.9749702215194702
],
[
1.8488647937774658
],
[
1.8461240530014038
],
[
1.9727892875671387
],
[
1.8492915630340576
],
[
1.8461240530014038
],
[
2.0701887607574463
],
[
2.104304790496826
],
[
2.114969253540039
],
[
2.1125268936157227
],
[
2.056905746459961
],
[
2.104806423187256
],
[
2.052725076675415
],
[
2.1124064922332764
],
[
2.110100030899048
],
[
2.1169023513793945
],
[
2.059602975845337
],
[
2.117579460144043
],
[
2.081341505050659
],
[
2.033662796020508
],
[
1.9231504201889038
],
[
1.9283325672149658
],
[
1.9842784404754639
],
[
1.9379925727844238
],
[
1.9314736127853394
],
[
1.9231504201889038
],
[
1.9696711301803589
],
[
1.9571514129638672
],
[
1.9314736127853394
],
[
2.067380666732788
],
[
1.9335415363311768
],
[
1.9696711301803589
],
[
1.9800400733947754
],
[
1.9486923217773438
],
[
2.067380666732788
],
[
1.9486923217773438
],
[
1.9571514129638672
],
[
1.9800400733947754
],
[
1.9283325672149658
],
[
1.9786015748977661
],
[
1.9379925727844238
],
[
1.9335415363311768
]
] |
[
[
0,
1,
1,
2,
3,
4,
5,
6,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
4,
15,
15,
16,
16,
17,
16,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
26,
27,
27,
28,
28,
29,
30,
31,
31,
32,
32,
33,
34,
35,
34,
36,
34,
37,
33,
38,
38,
39,
29,
40,
40,
41,
42,
43,
43,
44,
44,
45,
46,
47,
47,
48,
45,
49,
49,
50,
23,
3,
41,
26,
50,
42,
13,
7,
23,
18,
39,
30
],
[
1,
0,
2,
1,
4,
3,
6,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
4,
16,
15,
17,
16,
18,
16,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
27,
26,
28,
27,
29,
28,
31,
30,
32,
31,
33,
32,
35,
34,
36,
34,
37,
34,
38,
33,
39,
38,
40,
29,
41,
40,
43,
42,
44,
43,
45,
44,
47,
46,
48,
47,
49,
45,
50,
49,
3,
23,
26,
41,
42,
50,
7,
13,
18,
23,
30,
39
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
1,
2,
2,
3,
3,
3,
3,
3,
3,
3,
3,
1,
1,
1,
1,
1,
1,
1,
1,
1,
4,
5,
6,
6,
6,
6,
7,
7,
7,
7,
8,
8,
8,
8,
7,
7,
6,
6,
9,
9,
9,
9,
10,
10,
10,
9,
9
] |
[
[
0,
3,
4,
81,
81,
5,
22,
8,
87,
87,
9,
10,
11,
12,
13,
14,
14,
15,
18,
18,
17,
17,
86,
19,
19,
21,
21,
23,
24,
24,
25,
28,
28,
27,
27,
29,
29,
30,
89,
89,
31,
31,
32,
33,
34,
35,
36,
37,
38,
38,
80,
88,
88,
39,
40,
83,
41,
42,
43,
44,
45,
62,
46,
91,
47,
48,
49,
50,
51,
58,
53,
53,
55,
55,
57,
57,
59,
60,
90,
61,
63,
64,
82,
65,
66,
85,
67,
68,
69,
70,
71,
76,
72,
75,
77,
78,
84,
79
],
[
2,
1,
22,
88,
39,
81,
24,
10,
19,
20,
87,
12,
9,
14,
11,
16,
18,
13,
86,
20,
15,
18,
8,
15,
16,
86,
19,
5,
26,
28,
23,
30,
89,
25,
28,
25,
26,
32,
80,
39,
29,
89,
34,
31,
36,
33,
38,
35,
80,
88,
4,
29,
30,
37,
42,
65,
83,
44,
41,
62,
43,
64,
48,
61,
91,
50,
47,
58,
49,
60,
54,
56,
52,
56,
52,
54,
51,
90,
46,
59,
45,
82,
40,
63,
68,
79,
85,
70,
67,
76,
69,
78,
74,
73,
71,
84,
66,
77
]
] |
[
[
2.106754779815674
],
[
2.106754779815674
],
[
2.145320415496826
],
[
2.093691825866699
],
[
2.161867618560791
],
[
2.089331865310669
],
[
2.097820281982422
],
[
2.1031246185302734
],
[
2.1071934700012207
],
[
2.090517044067383
],
[
2.0698885917663574
],
[
2.0974631309509277
],
[
2.1031246185302734
],
[
2.084991216659546
],
[
2.0974631309509277
],
[
2.0841763019561768
],
[
2.103620767593384
],
[
2.084991216659546
],
[
2.1071934700012207
],
[
2.085449695587158
],
[
2.0841763019561768
],
[
2.095363140106201
],
[
2.0698885917663574
],
[
2.103620767593384
],
[
2.095363140106201
],
[
2.090517044067383
],
[
2.085449695587158
],
[
2.145320415496826
],
[
2.097501754760742
],
[
2.0491960048675537
],
[
2.097820281982422
],
[
2.065281867980957
],
[
2.0858259201049805
],
[
2.097501754760742
],
[
2.1364612579345703
],
[
2.0491960048675537
],
[
2.1364612579345703
],
[
2.09451961517334
],
[
2.093691825866699
],
[
2.0276005268096924
],
[
2.065281867980957
],
[
2.1320316791534424
],
[
2.082740545272827
],
[
2.09451961517334
],
[
2.1021342277526855
],
[
2.082740545272827
],
[
2.1272058486938477
],
[
2.1021342277526855
],
[
2.161867618560791
],
[
2.0276005268096924
],
[
2.089331865310669
],
[
2.0858259201049805
],
[
2.1320316791534424
],
[
2.1272058486938477
],
[
2.111443042755127
],
[
2.110100030899048
],
[
2.059602975845337
],
[
2.1147780418395996
],
[
2.111443042755127
],
[
2.052725076675415
],
[
2.1147780418395996
],
[
2.117579460144043
],
[
2.1142477989196777
],
[
2.114969253540039
],
[
2.056905746459961
],
[
2.1051034927368164
],
[
2.1142477989196777
],
[
2.0701887607574463
],
[
2.1051034927368164
],
[
2.104806423187256
],
[
1.8488647937774658
],
[
1.8492915630340576
],
[
1.8488647937774658
],
[
1.8461240530014038
],
[
1.8492915630340576
],
[
1.8461240530014038
],
[
2.0701887607574463
],
[
2.114969253540039
],
[
2.056905746459961
],
[
2.104806423187256
],
[
2.052725076675415
],
[
2.110100030899048
],
[
2.059602975845337
],
[
2.117579460144043
],
[
1.9231504201889038
],
[
1.9283325672149658
],
[
1.9379925727844238
],
[
1.9314736127853394
],
[
1.9231504201889038
],
[
1.9571514129638672
],
[
1.9314736127853394
],
[
1.9335415363311768
],
[
1.9486923217773438
],
[
1.9486923217773438
],
[
1.9571514129638672
],
[
1.9283325672149658
],
[
1.9379925727844238
],
[
1.9335415363311768
]
] |
O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(CCO)CC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
1,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
17,
11,
24,
19
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
1,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
11,
17,
19,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
15,
0,
2,
5,
1,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
15,
0,
2,
5,
1,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
36,
36,
3,
3,
4,
5,
6,
6,
7,
10,
9,
9,
11,
11,
12,
13,
14,
14,
15,
18,
17,
17,
19,
19,
20,
20,
21,
22,
49,
49,
23,
23,
24,
24,
25,
28,
27,
27,
29,
29,
30,
31,
32,
32,
48,
48,
33,
35,
35,
37,
37,
38,
51,
39,
39,
40,
41,
42,
43,
44,
45,
46,
50,
50,
47
],
[
2,
36,
4,
38,
51,
1,
36,
6,
3,
8,
10,
5,
12,
7,
10,
7,
8,
14,
11,
16,
18,
13,
20,
15,
18,
15,
16,
22,
49,
19,
24,
33,
34,
21,
49,
26,
28,
23,
30,
25,
28,
25,
26,
32,
29,
48,
34,
21,
22,
31,
48,
33,
1,
2,
40,
47,
37,
51,
42,
39,
44,
41,
46,
43,
50,
37,
38,
45
]
] |
[
[
2.1388635635375977
],
[
2.0627543926239014
],
[
1.9801480770111084
],
[
2.097201347351074
],
[
2.0409586429595947
],
[
2.1388635635375977
],
[
2.081538200378418
],
[
2.026796817779541
],
[
1.9801480770111084
],
[
2.143378257751465
],
[
2.1797142028808594
],
[
2.026796817779541
],
[
2.1421523094177246
],
[
2.143378257751465
],
[
1.960005760192871
],
[
2.1797142028808594
],
[
1.960005760192871
],
[
2.082491874694824
],
[
2.1421523094177246
],
[
2.1513609886169434
],
[
2.206707715988159
],
[
2.082491874694824
],
[
2.288299083709717
],
[
2.1513609886169434
],
[
1.9244005680084229
],
[
2.206707715988159
],
[
1.9244005680084229
],
[
2.1557252407073975
],
[
2.080281972885132
],
[
2.288299083709717
],
[
2.110971689224243
],
[
2.1253483295440674
],
[
2.102233409881592
],
[
2.1557252407073975
],
[
2.0468544960021973
],
[
2.0898208618164062
],
[
2.108973503112793
],
[
2.110971689224243
],
[
2.0847694873809814
],
[
2.0898208618164062
],
[
2.0843677520751953
],
[
2.108973503112793
],
[
2.0843677520751953
],
[
2.089380979537964
],
[
2.0847694873809814
],
[
2.1253483295440674
],
[
2.055576801300049
],
[
2.080281972885132
],
[
2.0468544960021973
],
[
2.089380979537964
],
[
2.102233409881592
],
[
2.055576801300049
],
[
2.0627543926239014
],
[
2.081538200378418
],
[
2.070298671722412
],
[
2.0430617332458496
],
[
2.097201347351074
],
[
2.14499831199646
],
[
2.0824451446533203
],
[
2.070298671722412
],
[
2.0636284351348877
],
[
2.0824451446533203
],
[
2.1618845462799072
],
[
2.0636284351348877
],
[
2.0430617332458496
],
[
2.0409586429595947
],
[
2.14499831199646
],
[
2.1618845462799072
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
8,
10,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
1,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
17,
11,
24,
19
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
8,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
1,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
11,
17,
19,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
34,
34,
3,
3,
4,
5,
6,
6,
7,
10,
9,
9,
11,
11,
12,
13,
14,
14,
15,
17,
17,
19,
19,
20,
47,
47,
21,
22,
22,
23,
26,
25,
25,
27,
27,
28,
29,
30,
30,
46,
31,
33,
33,
35,
35,
36,
49,
37,
37,
38,
39,
40,
41,
42,
43,
44,
48,
48,
45
],
[
2,
34,
4,
36,
49,
1,
34,
6,
3,
8,
10,
5,
12,
7,
10,
7,
8,
14,
11,
16,
18,
13,
15,
18,
15,
16,
22,
31,
32,
47,
24,
26,
21,
28,
23,
26,
23,
24,
30,
27,
46,
32,
20,
29,
46,
31,
1,
2,
38,
45,
35,
49,
40,
37,
42,
39,
44,
41,
48,
35,
36,
43
]
] |
[
[
2.1388635635375977
],
[
2.0627543926239014
],
[
1.9801480770111084
],
[
2.097201347351074
],
[
2.0409586429595947
],
[
2.1388635635375977
],
[
2.081538200378418
],
[
2.026796817779541
],
[
1.9801480770111084
],
[
2.143378257751465
],
[
2.1797142028808594
],
[
2.026796817779541
],
[
2.1421523094177246
],
[
2.143378257751465
],
[
1.960005760192871
],
[
2.1797142028808594
],
[
1.960005760192871
],
[
2.082491874694824
],
[
2.1421523094177246
],
[
2.1513609886169434
],
[
2.206707715988159
],
[
2.082491874694824
],
[
2.1513609886169434
],
[
1.9244005680084229
],
[
2.206707715988159
],
[
1.9244005680084229
],
[
2.110971689224243
],
[
2.1253483295440674
],
[
2.102233409881592
],
[
2.0468544960021973
],
[
2.0898208618164062
],
[
2.108973503112793
],
[
2.110971689224243
],
[
2.0847694873809814
],
[
2.0898208618164062
],
[
2.0843677520751953
],
[
2.108973503112793
],
[
2.0843677520751953
],
[
2.089380979537964
],
[
2.0847694873809814
],
[
2.1253483295440674
],
[
2.055576801300049
],
[
2.0468544960021973
],
[
2.089380979537964
],
[
2.102233409881592
],
[
2.055576801300049
],
[
2.0627543926239014
],
[
2.081538200378418
],
[
2.070298671722412
],
[
2.0430617332458496
],
[
2.097201347351074
],
[
2.14499831199646
],
[
2.0824451446533203
],
[
2.070298671722412
],
[
2.0636284351348877
],
[
2.0824451446533203
],
[
2.1618845462799072
],
[
2.0636284351348877
],
[
2.0430617332458496
],
[
2.0409586429595947
],
[
2.14499831199646
],
[
2.1618845462799072
]
] |
CC(=NN=C(S)NN=C(S)Nc1cc(Cl)ccc1Cl)c1ccccn1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
8,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
21,
27,
27,
28,
28,
29,
29,
30,
17,
31,
31,
6,
16,
10,
28,
19,
26,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
8,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
21,
28,
27,
29,
28,
30,
29,
31,
17,
6,
31,
10,
16,
19,
28,
22,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
34,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
9,
10,
10,
11,
12,
63,
13,
13,
14,
14,
15,
16,
32,
32,
17,
17,
18,
18,
19,
20,
65,
21,
21,
22,
23,
24,
24,
25,
28,
27,
27,
29,
29,
30,
64,
64,
31,
33,
33,
34,
60,
35,
35,
36,
36,
37,
38,
67,
67,
39,
39,
40,
40,
41,
42,
42,
52,
43,
43,
44,
69,
45,
45,
46,
47,
48,
49,
50,
68,
68,
51,
53,
53,
54,
54,
66,
66,
55,
56,
57,
57,
59,
62,
62,
61,
61
],
[
2,
4,
1,
6,
3,
8,
5,
10,
7,
12,
63,
9,
14,
61,
11,
63,
16,
32,
13,
18,
34,
60,
15,
32,
20,
65,
17,
22,
31,
19,
65,
24,
21,
26,
28,
23,
30,
25,
28,
25,
26,
64,
19,
20,
29,
15,
16,
36,
62,
33,
60,
38,
67,
35,
40,
55,
56,
37,
67,
42,
52,
39,
44,
69,
54,
41,
52,
46,
51,
43,
69,
48,
45,
50,
47,
68,
43,
44,
49,
41,
42,
66,
56,
37,
38,
53,
58,
66,
55,
57,
11,
12,
33,
34
]
] |
[
[
1.9444825649261475
],
[
1.939846396446228
],
[
1.9444825649261475
],
[
1.9834564924240112
],
[
1.939846396446228
],
[
2.018162250518799
],
[
1.9834564924240112
],
[
1.9721208810806274
],
[
2.018162250518799
],
[
2.290879011154175
],
[
2.1255786418914795
],
[
1.9721208810806274
],
[
1.886441707611084
],
[
1.9405651092529297
],
[
2.290879011154175
],
[
1.8666749000549316
],
[
2.1869144439697266
],
[
1.8657896518707275
],
[
1.886441707611084
],
[
1.8617205619812012
],
[
2.295250415802002
],
[
1.8652775287628174
],
[
2.1869144439697266
],
[
2.23016619682312
],
[
2.1086864471435547
],
[
2.1016411781311035
],
[
1.8617205619812012
],
[
2.1057872772216797
],
[
2.105498790740967
],
[
2.1086864471435547
],
[
2.0728096961975098
],
[
2.089651107788086
],
[
2.1057872772216797
],
[
2.0893707275390625
],
[
2.1032257080078125
],
[
2.089651107788086
],
[
2.0893380641937256
],
[
2.0893707275390625
],
[
2.0905659198760986
],
[
2.1032257080078125
],
[
2.0905659198760986
],
[
2.105498790740967
],
[
2.1016411781311035
],
[
2.0728096961975098
],
[
2.0893380641937256
],
[
1.8657896518707275
],
[
2.23016619682312
],
[
2.2921037673950195
],
[
1.9405651092529297
],
[
2.295250415802002
],
[
2.1220762729644775
],
[
2.0711934566497803
],
[
2.3502700328826904
],
[
2.2921037673950195
],
[
1.847320318222046
],
[
1.9359350204467773
],
[
2.1076583862304688
],
[
2.0711934566497803
],
[
1.8613758087158203
],
[
2.1215829849243164
],
[
2.011594295501709
],
[
1.847320318222046
],
[
2.290231227874756
],
[
2.1326937675476074
],
[
1.7684156894683838
],
[
2.1215829849243164
],
[
2.1499834060668945
],
[
1.885193943977356
],
[
1.925390601158142
],
[
2.290231227874756
],
[
1.8602323532104492
],
[
1.8728013038635254
],
[
1.885193943977356
],
[
1.8811354637145996
],
[
1.8728013038635254
],
[
1.925390601158142
],
[
2.1326937675476074
],
[
1.8602323532104492
],
[
1.8811354637145996
],
[
2.011594295501709
],
[
2.1499834060668945
],
[
1.9359350204467773
],
[
2.2395660877227783
],
[
2.3502700328826904
],
[
1.8613758087158203
],
[
1.7684156894683838
],
[
2.0311758518218994
],
[
2.1076583862304688
],
[
2.2395660877227783
],
[
2.0311758518218994
],
[
2.1255786418914795
],
[
1.8666749000549316
],
[
1.8652775287628174
],
[
2.1220762729644775
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
8,
17,
17,
18,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
21,
27,
27,
28,
28,
29,
29,
30,
17,
31,
31,
6,
16,
10,
28,
19,
26,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
8,
18,
17,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
21,
28,
27,
29,
28,
30,
29,
31,
17,
6,
31,
10,
16,
19,
28,
22,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3,
1,
1,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
4,
1
] |
[
[
0,
2,
3,
4,
5,
6,
7,
9,
10,
55,
11,
12,
13,
26,
26,
14,
57,
15,
16,
17,
18,
18,
19,
22,
21,
21,
23,
23,
24,
56,
25,
27,
52,
29,
29,
30,
59,
59,
31,
32,
32,
33,
34,
34,
44,
35,
35,
36,
61,
37,
37,
38,
39,
40,
41,
42,
60,
60,
43,
45,
45,
46,
46,
58,
47,
48,
49,
49,
51,
54,
53,
53
],
[
2,
4,
1,
6,
3,
8,
5,
7,
12,
53,
55,
26,
11,
28,
52,
16,
25,
57,
18,
15,
20,
22,
17,
24,
19,
22,
19,
20,
56,
14,
23,
13,
54,
27,
52,
32,
47,
48,
59,
34,
44,
31,
36,
61,
46,
33,
44,
38,
43,
35,
61,
40,
37,
42,
39,
60,
35,
36,
41,
33,
34,
58,
48,
30,
45,
50,
58,
47,
49,
10,
27,
28
]
] |
[
[
1.9444825649261475
],
[
1.939846396446228
],
[
1.9444825649261475
],
[
1.9834564924240112
],
[
1.939846396446228
],
[
2.018162250518799
],
[
1.9834564924240112
],
[
2.018162250518799
],
[
1.886441707611084
],
[
1.9405651092529297
],
[
1.8666749000549316
],
[
1.8657896518707275
],
[
1.886441707611084
],
[
2.295250415802002
],
[
1.8652775287628174
],
[
2.1057872772216797
],
[
2.105498790740967
],
[
2.0728096961975098
],
[
2.089651107788086
],
[
2.1057872772216797
],
[
2.0893707275390625
],
[
2.1032257080078125
],
[
2.089651107788086
],
[
2.0893380641937256
],
[
2.0893707275390625
],
[
2.0905659198760986
],
[
2.1032257080078125
],
[
2.0905659198760986
],
[
2.105498790740967
],
[
2.0728096961975098
],
[
2.0893380641937256
],
[
1.8657896518707275
],
[
1.9405651092529297
],
[
2.295250415802002
],
[
2.1220762729644775
],
[
1.847320318222046
],
[
1.9359350204467773
],
[
2.1076583862304688
],
[
1.8613758087158203
],
[
2.1215829849243164
],
[
2.011594295501709
],
[
1.847320318222046
],
[
2.290231227874756
],
[
2.1326937675476074
],
[
1.7684156894683838
],
[
2.1215829849243164
],
[
2.1499834060668945
],
[
1.885193943977356
],
[
1.925390601158142
],
[
2.290231227874756
],
[
1.8602323532104492
],
[
1.8728013038635254
],
[
1.885193943977356
],
[
1.8811354637145996
],
[
1.8728013038635254
],
[
1.925390601158142
],
[
2.1326937675476074
],
[
1.8602323532104492
],
[
1.8811354637145996
],
[
2.011594295501709
],
[
2.1499834060668945
],
[
1.9359350204467773
],
[
2.2395660877227783
],
[
1.8613758087158203
],
[
1.7684156894683838
],
[
2.0311758518218994
],
[
2.1076583862304688
],
[
2.2395660877227783
],
[
2.0311758518218994
],
[
1.8666749000549316
],
[
1.8652775287628174
],
[
2.1220762729644775
]
] |
CCCCCCc1cc(Cc2ccc(Br)cc2)c(C=C2N=C(c3ccc[nH]3)C=C2OC)[nH]1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
15,
18,
14,
19,
19,
20,
7,
21,
21,
22,
22,
23,
22,
4,
19,
10
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
15,
19,
14,
20,
19,
21,
7,
22,
21,
23,
22,
4,
22,
10,
19
]
] |
[
[
2,
0,
0
],
[
2,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
1,
5,
0,
0,
0,
0,
0
],
[
5,
0,
2,
5,
0,
0,
0,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
]
] |
[
[
0,
2,
3,
4,
5,
6,
6,
7,
8,
47,
47,
9,
9,
10,
11,
12,
12,
13,
14,
14,
40,
15,
15,
18,
18,
17,
17,
19,
19,
20,
49,
49,
21,
21,
22,
23,
24,
25,
26,
26,
27,
28,
28,
28,
36,
36,
29,
29,
31,
31,
31,
33,
33,
33,
35,
35,
35,
48,
48,
37,
37,
39,
39,
41,
41,
42,
42,
46,
46,
43,
45,
45
],
[
2,
4,
1,
6,
3,
8,
47,
5,
10,
43,
44,
7,
47,
12,
9,
14,
40,
11,
16,
18,
42,
13,
40,
20,
49,
15,
18,
15,
16,
22,
37,
38,
19,
49,
24,
21,
26,
23,
28,
36,
25,
30,
32,
34,
48,
38,
27,
36,
29,
32,
34,
29,
30,
34,
29,
30,
32,
19,
20,
27,
28,
48,
37,
13,
14,
46,
44,
7,
8,
41,
46,
43
]
] |
[
[
3.1248693466186523
],
[
1.926110863685608
],
[
3.1248693466186523
],
[
1.9746828079223633
],
[
1.926110863685608
],
[
2.053783655166626
],
[
2.0633819103240967
],
[
1.9746828079223633
],
[
1.9636751413345337
],
[
2.0506205558776855
],
[
2.124490976333618
],
[
2.053783655166626
],
[
2.1147408485412598
],
[
1.895517349243164
],
[
1.9636751413345337
],
[
2.056596517562866
],
[
1.9763528108596802
],
[
1.895517349243164
],
[
2.15200138092041
],
[
2.079369068145752
],
[
1.9664503335952759
],
[
2.056596517562866
],
[
2.1541597843170166
],
[
2.0357842445373535
],
[
2.13897705078125
],
[
2.15200138092041
],
[
2.0514326095581055
],
[
2.079369068145752
],
[
2.0514326095581055
],
[
2.0920162200927734
],
[
2.0856618881225586
],
[
2.099637508392334
],
[
2.0357842445373535
],
[
2.107818603515625
],
[
2.0900232791900635
],
[
2.0920162200927734
],
[
2.1146349906921387
],
[
2.0900232791900635
],
[
2.084967613220215
],
[
2.075693130493164
],
[
2.1146349906921387
],
[
1.9716335535049438
],
[
1.9699949026107788
],
[
1.974273920059204
],
[
2.0856618881225586
],
[
2.0977659225463867
],
[
2.084967613220215
],
[
2.122493267059326
],
[
1.9716335535049438
],
[
1.8367364406585693
],
[
1.8383736610412598
],
[
1.9699949026107788
],
[
1.8367364406585693
],
[
1.861276626586914
],
[
1.974273920059204
],
[
1.8383736610412598
],
[
1.861276626586914
],
[
2.13897705078125
],
[
2.107818603515625
],
[
2.075693130493164
],
[
2.122493267059326
],
[
2.099637508392334
],
[
2.0977659225463867
],
[
1.9763528108596802
],
[
2.1541597843170166
],
[
2.0506205558776855
],
[
2.102335214614868
],
[
2.0633819103240967
],
[
2.1147408485412598
],
[
1.9664503335952759
],
[
2.124490976333618
],
[
2.102335214614868
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
6,
7,
8,
9,
10,
11,
11,
12,
12,
13,
13,
14,
15,
16,
15,
17,
15,
18,
14,
19,
19,
20,
7,
21,
21,
22,
22,
23,
22,
4,
19,
10
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
6,
9,
8,
11,
10,
12,
11,
13,
12,
14,
13,
16,
15,
17,
15,
18,
15,
19,
14,
20,
19,
21,
7,
22,
21,
23,
22,
4,
22,
10,
19
]
] |
[
[
2,
0,
0
],
[
2,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
2,
2,
3,
3,
3,
3,
3,
4,
4,
4,
4,
3,
3,
1,
1,
1
] |
[
[
0,
2,
3,
5,
6,
39,
39,
7,
8,
9,
10,
11,
32,
14,
41,
41,
15,
16,
17,
18,
19,
20,
21,
28,
28,
23,
23,
25,
25,
27,
27,
40,
29,
31,
31,
33,
34,
34,
38,
35,
37,
37
],
[
2,
4,
1,
3,
8,
35,
36,
39,
10,
7,
32,
9,
34,
16,
29,
30,
41,
18,
15,
20,
17,
28,
19,
40,
30,
24,
26,
22,
26,
22,
24,
14,
21,
40,
29,
11,
38,
36,
6,
33,
38,
35
]
] |
[
[
3.1248693466186523
],
[
1.926110863685608
],
[
3.1248693466186523
],
[
1.926110863685608
],
[
1.9636751413345337
],
[
2.0506205558776855
],
[
2.124490976333618
],
[
2.1147408485412598
],
[
1.895517349243164
],
[
1.9636751413345337
],
[
1.9763528108596802
],
[
1.895517349243164
],
[
1.9664503335952759
],
[
2.0920162200927734
],
[
2.0856618881225586
],
[
2.099637508392334
],
[
2.107818603515625
],
[
2.0900232791900635
],
[
2.0920162200927734
],
[
2.1146349906921387
],
[
2.0900232791900635
],
[
2.075693130493164
],
[
2.1146349906921387
],
[
2.0856618881225586
],
[
2.0977659225463867
],
[
1.8367364406585693
],
[
1.8383736610412598
],
[
1.8367364406585693
],
[
1.861276626586914
],
[
1.8383736610412598
],
[
1.861276626586914
],
[
2.107818603515625
],
[
2.075693130493164
],
[
2.099637508392334
],
[
2.0977659225463867
],
[
1.9763528108596802
],
[
2.0506205558776855
],
[
2.102335214614868
],
[
2.1147408485412598
],
[
1.9664503335952759
],
[
2.124490976333618
],
[
2.102335214614868
]
] |
N#CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
2,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
10,
1,
17,
12,
7,
3
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
2,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
1,
10,
12,
17,
3,
7
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
2,
35,
35,
3,
3,
4,
4,
14,
5,
5,
6,
39,
7,
7,
8,
9,
10,
11,
12,
38,
38,
13,
15,
15,
16,
17,
18,
18,
34,
34,
19,
20,
21,
21,
22,
22,
23,
24,
37,
25,
25,
26,
27,
28,
29,
30,
31,
32,
36,
36,
33
],
[
2,
35,
4,
14,
19,
20,
1,
35,
6,
39,
16,
3,
14,
8,
13,
5,
39,
10,
7,
12,
9,
38,
5,
6,
11,
3,
4,
18,
15,
34,
20,
1,
2,
17,
22,
34,
19,
24,
37,
21,
26,
33,
23,
37,
28,
25,
30,
27,
32,
29,
36,
23,
24,
31
]
] |
[
[
2.1808667182922363
],
[
2.1825766563415527
],
[
2.1967999935150146
],
[
1.8557844161987305
],
[
1.7688822746276855
],
[
1.9444499015808105
],
[
2.1808667182922363
],
[
1.9190691709518433
],
[
2.196993589401245
],
[
2.1700563430786133
],
[
1.8039277791976929
],
[
2.1967999935150146
],
[
2.2299141883850098
],
[
1.8089736700057983
],
[
1.80314302444458
],
[
2.196993589401245
],
[
1.9158711433410645
],
[
1.814528226852417
],
[
1.8089736700057983
],
[
1.8083654642105103
],
[
1.814528226852417
],
[
1.80314302444458
],
[
2.1700563430786133
],
[
1.9158711433410645
],
[
1.8083654642105103
],
[
1.8557844161987305
],
[
2.2299141883850098
],
[
1.8427643775939941
],
[
1.8039277791976929
],
[
1.7688822746276855
],
[
1.9893214702606201
],
[
2.1825766563415527
],
[
1.9190691709518433
],
[
1.8427643775939941
],
[
1.9812053442001343
],
[
1.9444499015808105
],
[
1.9893214702606201
],
[
1.9140090942382812
],
[
1.9496502876281738
],
[
1.9812053442001343
],
[
1.9455969333648682
],
[
1.9439918994903564
],
[
1.9140090942382812
],
[
1.9276258945465088
],
[
1.9421124458312988
],
[
1.9455969333648682
],
[
1.9249969720840454
],
[
1.9421124458312988
],
[
1.9453601837158203
],
[
1.9249969720840454
],
[
1.9439918994903564
],
[
1.9496502876281738
],
[
1.9276258945465088
],
[
1.9453601837158203
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
2,
8,
8,
9,
9,
10,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
10,
1,
17,
12,
7,
3
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
2,
9,
8,
10,
9,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
1,
10,
12,
17,
3,
7
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
0,
0,
0,
2,
3,
3,
3,
3,
3,
3
] |
[
[
0,
0,
2,
29,
3,
3,
12,
4,
33,
5,
6,
7,
8,
9,
10,
32,
11,
13,
14,
15,
16,
28,
28,
17,
18,
31,
19,
20,
21,
22,
23,
24,
25,
26,
30,
27
],
[
2,
29,
12,
17,
1,
29,
14,
6,
11,
33,
8,
5,
10,
7,
32,
4,
9,
3,
16,
13,
28,
1,
2,
15,
20,
27,
31,
22,
19,
24,
21,
26,
23,
30,
18,
25
]
] |
[
[
2.1808667182922363
],
[
2.1825766563415527
],
[
1.8557844161987305
],
[
1.7688822746276855
],
[
2.1808667182922363
],
[
1.9190691709518433
],
[
1.8039277791976929
],
[
1.8089736700057983
],
[
1.80314302444458
],
[
1.9158711433410645
],
[
1.814528226852417
],
[
1.8089736700057983
],
[
1.8083654642105103
],
[
1.814528226852417
],
[
1.80314302444458
],
[
1.9158711433410645
],
[
1.8083654642105103
],
[
1.8557844161987305
],
[
1.8427643775939941
],
[
1.8039277791976929
],
[
1.7688822746276855
],
[
2.1825766563415527
],
[
1.9190691709518433
],
[
1.8427643775939941
],
[
1.9455969333648682
],
[
1.9439918994903564
],
[
1.9276258945465088
],
[
1.9421124458312988
],
[
1.9455969333648682
],
[
1.9249969720840454
],
[
1.9421124458312988
],
[
1.9453601837158203
],
[
1.9249969720840454
],
[
1.9439918994903564
],
[
1.9276258945465088
],
[
1.9453601837158203
]
] |
O=C1C(=C2CCCC2)CCC1CN1CCCCC1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
7,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
6,
22,
22,
1,
21,
13,
21,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
7,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
6,
1,
22,
13,
21,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
45,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
10,
11,
12,
12,
42,
13,
13,
16,
15,
15,
17,
17,
18,
19,
20,
20,
21,
24,
24,
23,
23,
25,
25,
26,
47,
47,
27,
27,
28,
29,
30,
30,
31,
32,
49,
49,
33,
33,
34,
35,
36,
37,
38,
39,
40,
40,
46,
46,
48,
48,
41,
44,
44,
43,
43
],
[
2,
45,
4,
43,
1,
45,
6,
8,
3,
10,
5,
8,
5,
6,
12,
42,
9,
14,
16,
44,
11,
42,
18,
13,
16,
13,
14,
20,
17,
22,
24,
19,
26,
47,
21,
24,
21,
22,
28,
48,
41,
25,
47,
30,
27,
32,
49,
29,
34,
46,
41,
31,
49,
36,
33,
38,
35,
40,
37,
46,
48,
25,
26,
31,
32,
39,
1,
2,
11,
12
]
] |
[
[
1.9318015575408936
],
[
1.9312222003936768
],
[
1.9580919742584229
],
[
1.9572572708129883
],
[
1.9318015575408936
],
[
1.9342912435531616
],
[
1.9547070264816284
],
[
1.9304543733596802
],
[
1.9580919742584229
],
[
1.9630659818649292
],
[
1.9547070264816284
],
[
1.937327265739441
],
[
1.9304543733596802
],
[
1.937327265739441
],
[
2.154491901397705
],
[
2.019068956375122
],
[
1.9630659818649292
],
[
2.1310815811157227
],
[
2.0465376377105713
],
[
1.9572572708129883
],
[
2.154491901397705
],
[
2.0511233806610107
],
[
1.9718060493469238
],
[
2.1310815811157227
],
[
2.1055397987365723
],
[
2.0465376377105713
],
[
2.1055397987365723
],
[
1.9888076782226562
],
[
1.9718060493469238
],
[
2.1602678298950195
],
[
1.9632432460784912
],
[
1.9888076782226562
],
[
2.1999130249023438
],
[
2.2263238430023193
],
[
2.1602678298950195
],
[
2.1591920852661133
],
[
1.9632432460784912
],
[
2.1591920852661133
],
[
1.8957539796829224
],
[
1.8782657384872437
],
[
2.3430371284484863
],
[
2.1999130249023438
],
[
1.8569234609603882
],
[
1.9239232540130615
],
[
1.8957539796829224
],
[
2.2685799598693848
],
[
1.8698668479919434
],
[
1.9239232540130615
],
[
2.0539255142211914
],
[
1.8782657384872437
],
[
2.061856746673584
],
[
2.2685799598693848
],
[
2.144707202911377
],
[
2.1111040115356445
],
[
2.0539255142211914
],
[
2.1048831939697266
],
[
2.1111040115356445
],
[
2.089843511581421
],
[
2.1048831939697266
],
[
2.3430371284484863
],
[
2.061856746673584
],
[
2.2263238430023193
],
[
1.8569234609603882
],
[
1.8698668479919434
],
[
2.144707202911377
],
[
2.089843511581421
],
[
1.9312222003936768
],
[
1.9342912435531616
],
[
2.019068956375122
],
[
2.0511233806610107
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
7,
8,
7,
9,
11,
12,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
6,
22,
22,
1,
21,
13,
21,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
8,
7,
9,
7,
12,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
6,
1,
22,
13,
21,
16,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
2,
3,
3,
4,
4,
4,
4,
4,
4,
4,
4,
4,
0
] |
[
[
0,
0,
2,
37,
3,
3,
4,
4,
5,
8,
7,
7,
9,
9,
10,
11,
34,
13,
15,
18,
39,
39,
19,
20,
21,
22,
22,
23,
24,
41,
41,
25,
25,
26,
27,
28,
29,
30,
31,
32,
32,
38,
40,
40,
33,
36,
36,
35
],
[
2,
37,
4,
35,
1,
37,
6,
8,
3,
10,
5,
8,
5,
6,
34,
9,
36,
14,
12,
20,
40,
33,
39,
22,
19,
24,
41,
21,
26,
38,
33,
23,
41,
28,
25,
30,
27,
32,
29,
38,
40,
18,
23,
24,
31,
1,
2,
11
]
] |
[
[
1.9318015575408936
],
[
1.9312222003936768
],
[
1.9580919742584229
],
[
1.9572572708129883
],
[
1.9318015575408936
],
[
1.9342912435531616
],
[
1.9547070264816284
],
[
1.9304543733596802
],
[
1.9580919742584229
],
[
1.9630659818649292
],
[
1.9547070264816284
],
[
1.937327265739441
],
[
1.9304543733596802
],
[
1.937327265739441
],
[
2.019068956375122
],
[
1.9630659818649292
],
[
1.9572572708129883
],
[
2.1055397987365723
],
[
2.1055397987365723
],
[
1.8957539796829224
],
[
1.8782657384872437
],
[
2.3430371284484863
],
[
1.8569234609603882
],
[
1.9239232540130615
],
[
1.8957539796829224
],
[
2.2685799598693848
],
[
1.8698668479919434
],
[
1.9239232540130615
],
[
2.0539255142211914
],
[
1.8782657384872437
],
[
2.061856746673584
],
[
2.2685799598693848
],
[
2.144707202911377
],
[
2.1111040115356445
],
[
2.0539255142211914
],
[
2.1048831939697266
],
[
2.1111040115356445
],
[
2.089843511581421
],
[
2.1048831939697266
],
[
2.3430371284484863
],
[
2.061856746673584
],
[
1.8569234609603882
],
[
1.8698668479919434
],
[
2.144707202911377
],
[
2.089843511581421
],
[
1.9312222003936768
],
[
1.9342912435531616
],
[
2.019068956375122
]
] |
CC1CC(C)CN(C(=O)COC(=O)c2c[nH]c3ccccc23)C1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
5,
11,
11,
12,
11,
13
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
5,
12,
11,
13,
11
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
0,
4,
3,
3,
5,
5,
6,
7,
8,
8,
9,
10,
20,
20,
11,
11,
12,
13,
14,
14,
15,
17,
17,
19,
19,
21,
21,
23,
23,
25,
25
],
[
2,
4,
6,
1,
4,
1,
2,
8,
5,
10,
20,
7,
12,
22,
24,
9,
20,
14,
11,
16,
18,
13,
15,
18,
15,
16,
9,
10,
21,
24,
21,
22
]
] |
[
[
1.9262726306915283
],
[
1.9410898685455322
],
[
1.9036016464233398
],
[
1.9262726306915283
],
[
1.9278944730758667
],
[
1.9410898685455322
],
[
1.9278944730758667
],
[
1.9781134128570557
],
[
1.9036016464233398
],
[
1.9316153526306152
],
[
1.9473998546600342
],
[
1.9781134128570557
],
[
1.9694597721099854
],
[
1.9708826541900635
],
[
1.948072910308838
],
[
1.9316153526306152
],
[
1.8882622718811035
],
[
1.9040424823760986
],
[
1.9694597721099854
],
[
1.9276127815246582
],
[
1.9428281784057617
],
[
1.9040424823760986
],
[
1.9276127815246582
],
[
1.9259469509124756
],
[
1.9428281784057617
],
[
1.9259469509124756
],
[
1.9473998546600342
],
[
1.8882622718811035
],
[
1.9708826541900635
],
[
1.9033302068710327
],
[
1.948072910308838
],
[
1.9033302068710327
]
] |
[
[
0,
1,
1,
2,
1,
3,
7,
8,
8,
9,
8,
10,
5,
11,
11,
12,
11,
13
],
[
1,
0,
2,
1,
3,
1,
8,
7,
9,
8,
10,
8,
11,
5,
12,
11,
13,
11
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
1,
2,
3,
4,
4,
4,
4,
2,
2,
2
] |
[
[
0,
0,
3,
3,
5,
5,
12,
12,
6,
6,
9,
9,
11,
11,
15,
15,
17,
17
],
[
2,
4,
1,
4,
1,
2,
14,
16,
8,
10,
7,
10,
7,
8,
13,
16,
13,
14
]
] |
[
[
1.9262726306915283
],
[
1.9410898685455322
],
[
1.9262726306915283
],
[
1.9278944730758667
],
[
1.9410898685455322
],
[
1.9278944730758667
],
[
1.9708826541900635
],
[
1.948072910308838
],
[
1.9276127815246582
],
[
1.9428281784057617
],
[
1.9276127815246582
],
[
1.9259469509124756
],
[
1.9428281784057617
],
[
1.9259469509124756
],
[
1.9708826541900635
],
[
1.9033302068710327
],
[
1.948072910308838
],
[
1.9033302068710327
]
] |
CC(C)COC(OCC(C)C)C(Cl)Cl
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
4,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
21,
22,
13,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
23,
36,
36,
37,
37,
38,
37,
39,
39,
3,
10,
5,
39,
12,
19,
14,
35,
26,
22,
17,
35,
30
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
4,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
21,
23,
13,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
23,
37,
36,
38,
37,
39,
37,
3,
39,
5,
10,
12,
39,
14,
19,
26,
35,
17,
22,
30,
35
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
4,
4,
3,
3,
5,
5,
6,
6,
79,
79,
7,
7,
8,
8,
20,
9,
9,
10,
81,
11,
11,
12,
13,
14,
15,
16,
17,
18,
80,
80,
19,
21,
21,
22,
22,
23,
24,
24,
83,
83,
25,
25,
26,
26,
44,
44,
27,
27,
28,
85,
29,
29,
30,
31,
32,
32,
33,
34,
34,
89,
35,
35,
36,
38,
84,
84,
37,
37,
39,
39,
40,
41,
42,
88,
88,
43,
45,
45,
46,
70,
47,
47,
48,
49,
50,
50,
51,
52,
87,
87,
53,
53,
54,
55,
56,
57,
58,
58,
59,
60,
91,
91,
61,
61,
62,
63,
64,
65,
66,
67,
68,
68,
86,
86,
90,
90,
69,
71,
71,
72,
72,
73,
76,
76,
75,
75,
78,
78,
82,
82,
77,
77
],
[
2,
4,
6,
79,
1,
4,
1,
2,
8,
20,
82,
77,
5,
79,
10,
81,
22,
7,
20,
12,
19,
9,
81,
14,
11,
16,
13,
18,
15,
80,
9,
10,
17,
7,
8,
24,
83,
21,
26,
44,
78,
77,
23,
83,
28,
85,
46,
70,
25,
44,
30,
37,
27,
85,
32,
29,
34,
89,
31,
36,
38,
43,
33,
89,
84,
40,
27,
28,
35,
38,
35,
36,
42,
39,
88,
33,
34,
41,
25,
26,
48,
72,
45,
70,
50,
47,
52,
87,
49,
54,
90,
69,
51,
87,
56,
53,
58,
55,
60,
91,
57,
62,
86,
69,
59,
91,
64,
61,
66,
63,
68,
65,
86,
90,
51,
52,
59,
60,
67,
45,
46,
74,
76,
71,
78,
82,
73,
76,
5,
6,
23,
24,
73,
74
]
] |
[
[
2.085491180419922
],
[
2.179307460784912
],
[
1.8939682245254517
],
[
1.9649198055267334
],
[
2.085491180419922
],
[
2.0182623863220215
],
[
2.179307460784912
],
[
2.0182623863220215
],
[
2.0014052391052246
],
[
1.8229174613952637
],
[
2.02131724357605
],
[
2.1008353233337402
],
[
1.8939682245254517
],
[
1.8955460786819458
],
[
2.1415042877197266
],
[
2.077953815460205
],
[
1.6349241733551025
],
[
2.0014052391052246
],
[
1.9429693222045898
],
[
2.10797119140625
],
[
2.109705924987793
],
[
2.1415042877197266
],
[
2.06369948387146
],
[
2.0974836349487305
],
[
2.10797119140625
],
[
2.092231273651123
],
[
2.0974836349487305
],
[
2.0951285362243652
],
[
2.092231273651123
],
[
2.109705924987793
],
[
2.077953815460205
],
[
2.06369948387146
],
[
2.0951285362243652
],
[
1.8229174613952637
],
[
1.9429693222045898
],
[
2.212876319885254
],
[
1.9465380907058716
],
[
1.6349241733551025
],
[
2.0930099487304688
],
[
2.0608437061309814
],
[
2.02131724357605
],
[
2.1600916385650635
],
[
2.212876319885254
],
[
2.123603582382202
],
[
2.098050117492676
],
[
2.0900187492370605
],
[
2.052699089050293
],
[
2.089212417602539
],
[
2.0930099487304688
],
[
2.1293067932128906
],
[
2.1061668395996094
],
[
2.0575332641601562
],
[
2.098050117492676
],
[
2.0948402881622314
],
[
2.05448055267334
],
[
2.1061668395996094
],
[
2.1267755031585693
],
[
2.195882797241211
],
[
2.05448055267334
],
[
2.126497507095337
],
[
1.9626784324645996
],
[
1.7624328136444092
],
[
2.1267755031585693
],
[
1.9605002403259277
],
[
2.0575332641601562
],
[
1.760212779045105
],
[
2.0900187492370605
],
[
2.0948402881622314
],
[
2.126497507095337
],
[
2.193979263305664
],
[
1.9626784324645996
],
[
2.193979263305664
],
[
1.978910207748413
],
[
1.760212779045105
],
[
1.7624328136444092
],
[
2.195882797241211
],
[
1.9605002403259277
],
[
1.978910207748413
],
[
2.0608437061309814
],
[
2.1293067932128906
],
[
1.9364614486694336
],
[
2.1185364723205566
],
[
2.052699089050293
],
[
2.141249656677246
],
[
1.9823676347732544
],
[
1.9364614486694336
],
[
2.1210381984710693
],
[
2.053929567337036
],
[
1.9823676347732544
],
[
2.0946004390716553
],
[
2.071974992752075
],
[
2.1459946632385254
],
[
2.1210381984710693
],
[
2.1073505878448486
],
[
2.094679594039917
],
[
2.0946004390716553
],
[
2.1094884872436523
],
[
2.094679594039917
],
[
2.106509208679199
],
[
2.087571859359741
],
[
2.1094884872436523
],
[
2.1095972061157227
],
[
2.071974992752075
],
[
2.0651462078094482
],
[
2.106509208679199
],
[
2.089078903198242
],
[
2.092365026473999
],
[
2.1095972061157227
],
[
2.09299373626709
],
[
2.092365026473999
],
[
2.1171300411224365
],
[
2.09299373626709
],
[
2.1459946632385254
],
[
2.0651462078094482
],
[
2.053929567337036
],
[
2.1073505878448486
],
[
2.087571859359741
],
[
2.089078903198242
],
[
2.1171300411224365
],
[
2.089212417602539
],
[
2.141249656677246
],
[
2.099644660949707
],
[
2.013993263244629
],
[
2.1185364723205566
],
[
2.1008353233337402
],
[
2.1600916385650635
],
[
2.099644660949707
],
[
2.1695213317871094
],
[
1.9649198055267334
],
[
1.8955460786819458
],
[
1.9465380907058716
],
[
2.123603582382202
],
[
2.013993263244629
],
[
2.1695213317871094
]
] |
[
[
0,
1,
1,
2,
1,
3,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
4,
11,
11,
12,
12,
13,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
20,
21,
21,
22,
13,
23,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
23,
36,
36,
37,
37,
38,
37,
39,
39,
3,
10,
5,
39,
12,
19,
14,
35,
26,
22,
17,
35,
30
],
[
1,
0,
2,
1,
3,
1,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
4,
12,
11,
13,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
20,
22,
21,
23,
13,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
23,
37,
36,
38,
37,
39,
37,
3,
39,
5,
10,
12,
39,
14,
19,
26,
35,
17,
22,
30,
35
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
1,
1,
1,
1,
1,
0,
0,
0,
2,
2,
2,
2,
2,
2,
2,
2,
2,
0,
3,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
0,
0,
0,
0
] |
[
[
0,
0,
4,
4,
3,
3,
5,
5,
6,
69,
69,
7,
7,
18,
8,
71,
9,
10,
11,
12,
13,
14,
15,
16,
70,
17,
19,
20,
20,
21,
22,
73,
73,
23,
23,
40,
24,
75,
25,
26,
27,
28,
28,
29,
30,
30,
79,
31,
31,
32,
34,
74,
33,
33,
35,
35,
36,
37,
38,
78,
78,
39,
41,
60,
42,
77,
77,
43,
44,
45,
46,
47,
48,
48,
49,
50,
81,
81,
51,
51,
52,
53,
54,
55,
56,
57,
58,
58,
76,
80,
80,
59,
61,
62,
62,
63,
66,
66,
65,
65,
68,
68,
72,
72,
67,
67
],
[
2,
4,
6,
69,
1,
4,
1,
2,
18,
72,
67,
5,
69,
20,
10,
17,
71,
12,
9,
14,
11,
16,
13,
70,
8,
15,
7,
22,
73,
19,
40,
68,
67,
21,
73,
60,
26,
33,
75,
28,
25,
30,
79,
27,
32,
34,
39,
29,
79,
74,
36,
24,
31,
34,
31,
32,
38,
35,
78,
29,
30,
37,
23,
62,
44,
80,
59,
77,
46,
43,
48,
45,
50,
81,
47,
52,
76,
59,
49,
81,
54,
51,
56,
53,
58,
55,
76,
80,
42,
49,
50,
57,
41,
64,
66,
61,
68,
72,
63,
66,
5,
6,
21,
22,
63,
64
]
] |
[
[
2.085491180419922
],
[
2.179307460784912
],
[
1.8939682245254517
],
[
1.9649198055267334
],
[
2.085491180419922
],
[
2.0182623863220215
],
[
2.179307460784912
],
[
2.0182623863220215
],
[
1.8229174613952637
],
[
2.02131724357605
],
[
2.1008353233337402
],
[
1.8939682245254517
],
[
1.8955460786819458
],
[
1.6349241733551025
],
[
2.10797119140625
],
[
2.109705924987793
],
[
2.06369948387146
],
[
2.0974836349487305
],
[
2.10797119140625
],
[
2.092231273651123
],
[
2.0974836349487305
],
[
2.0951285362243652
],
[
2.092231273651123
],
[
2.109705924987793
],
[
2.06369948387146
],
[
2.0951285362243652
],
[
1.8229174613952637
],
[
2.212876319885254
],
[
1.9465380907058716
],
[
1.6349241733551025
],
[
2.0608437061309814
],
[
2.02131724357605
],
[
2.1600916385650635
],
[
2.212876319885254
],
[
2.123603582382202
],
[
2.089212417602539
],
[
2.1061668395996094
],
[
2.0575332641601562
],
[
2.0948402881622314
],
[
2.05448055267334
],
[
2.1061668395996094
],
[
2.1267755031585693
],
[
2.195882797241211
],
[
2.05448055267334
],
[
2.126497507095337
],
[
1.9626784324645996
],
[
1.7624328136444092
],
[
2.1267755031585693
],
[
1.9605002403259277
],
[
2.0575332641601562
],
[
1.760212779045105
],
[
2.0948402881622314
],
[
2.126497507095337
],
[
2.193979263305664
],
[
1.9626784324645996
],
[
2.193979263305664
],
[
1.978910207748413
],
[
1.760212779045105
],
[
1.7624328136444092
],
[
2.195882797241211
],
[
1.9605002403259277
],
[
1.978910207748413
],
[
2.0608437061309814
],
[
2.1185364723205566
],
[
2.0946004390716553
],
[
2.071974992752075
],
[
2.1459946632385254
],
[
2.1073505878448486
],
[
2.094679594039917
],
[
2.0946004390716553
],
[
2.1094884872436523
],
[
2.094679594039917
],
[
2.106509208679199
],
[
2.087571859359741
],
[
2.1094884872436523
],
[
2.1095972061157227
],
[
2.071974992752075
],
[
2.0651462078094482
],
[
2.106509208679199
],
[
2.089078903198242
],
[
2.092365026473999
],
[
2.1095972061157227
],
[
2.09299373626709
],
[
2.092365026473999
],
[
2.1171300411224365
],
[
2.09299373626709
],
[
2.1459946632385254
],
[
2.0651462078094482
],
[
2.1073505878448486
],
[
2.087571859359741
],
[
2.089078903198242
],
[
2.1171300411224365
],
[
2.089212417602539
],
[
2.099644660949707
],
[
2.013993263244629
],
[
2.1185364723205566
],
[
2.1008353233337402
],
[
2.1600916385650635
],
[
2.099644660949707
],
[
2.1695213317871094
],
[
1.9649198055267334
],
[
1.8955460786819458
],
[
1.9465380907058716
],
[
2.123603582382202
],
[
2.013993263244629
],
[
2.1695213317871094
]
] |
O=C(O)C1C(c2ccccc2)Sc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
4,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
15,
27,
27,
28,
8,
29,
29,
2,
28,
12,
26,
16,
26,
21
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
4,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
15,
28,
27,
29,
8,
2,
29,
12,
28,
16,
26,
21,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
4,
59,
5,
5,
6,
6,
7,
8,
12,
9,
9,
11,
13,
13,
14,
14,
15,
16,
56,
17,
17,
18,
18,
19,
22,
22,
21,
21,
23,
23,
24,
61,
25,
25,
26,
27,
28,
28,
29,
30,
30,
52,
31,
31,
32,
63,
63,
33,
33,
34,
34,
34,
35,
40,
40,
37,
37,
37,
39,
39,
39,
41,
41,
41,
42,
65,
65,
43,
43,
44,
45,
46,
47,
48,
49,
50,
50,
62,
62,
64,
64,
51,
53,
53,
54,
60,
60,
55,
58,
58,
57,
57
],
[
2,
4,
59,
1,
6,
57,
3,
59,
8,
12,
5,
10,
14,
7,
12,
9,
7,
8,
16,
56,
13,
18,
58,
15,
56,
20,
22,
17,
24,
61,
19,
22,
19,
20,
26,
55,
23,
61,
28,
25,
30,
52,
27,
32,
63,
54,
29,
52,
34,
64,
51,
31,
63,
36,
38,
40,
33,
42,
65,
35,
38,
40,
35,
36,
40,
35,
36,
38,
44,
62,
51,
41,
65,
46,
43,
48,
45,
50,
47,
62,
64,
31,
32,
41,
42,
49,
29,
30,
60,
23,
24,
53,
3,
4,
15,
16
]
] |
[
[
2.0391507148742676
],
[
1.998543620109558
],
[
2.1955480575561523
],
[
2.0391507148742676
],
[
2.109708070755005
],
[
2.078429937362671
],
[
1.998543620109558
],
[
2.0890231132507324
],
[
2.2001185417175293
],
[
2.0811779499053955
],
[
2.109708070755005
],
[
2.0380115509033203
],
[
2.08910870552063
],
[
2.2001185417175293
],
[
2.001858711242676
],
[
2.0380115509033203
],
[
2.0811779499053955
],
[
2.001858711242676
],
[
2.0452322959899902
],
[
2.1184277534484863
],
[
2.08910870552063
],
[
2.029254674911499
],
[
2.078429937362671
],
[
2.0452322959899902
],
[
2.1169848442077637
],
[
2.202511787414551
],
[
1.9034148454666138
],
[
2.029254674911499
],
[
1.9433557987213135
],
[
1.947873830795288
],
[
2.202511787414551
],
[
2.1769943237304688
],
[
1.9034148454666138
],
[
2.1769943237304688
],
[
1.9612630605697632
],
[
1.9516404867172241
],
[
1.9433557987213135
],
[
1.9240175485610962
],
[
1.915534496307373
],
[
1.9612630605697632
],
[
2.0161774158477783
],
[
1.9667640924453735
],
[
1.915534496307373
],
[
2.1641530990600586
],
[
2.1056113243103027
],
[
1.911194086074829
],
[
2.0161774158477783
],
[
2.0226011276245117
],
[
1.7897796630859375
],
[
1.9371567964553833
],
[
2.3007147312164307
],
[
2.1641530990600586
],
[
2.0128376483917236
],
[
1.9401891231536865
],
[
1.9052608013153076
],
[
1.922867774963379
],
[
1.7897796630859375
],
[
2.3764853477478027
],
[
1.7608411312103271
],
[
1.9401891231536865
],
[
1.7713242769241333
],
[
1.9783724546432495
],
[
1.9052608013153076
],
[
1.7713242769241333
],
[
1.9402350187301636
],
[
1.922867774963379
],
[
1.9783724546432495
],
[
1.9402350187301636
],
[
2.0590996742248535
],
[
1.9371567964553833
],
[
2.0450785160064697
],
[
2.3764853477478027
],
[
2.1457934379577637
],
[
2.1104187965393066
],
[
2.0590996742248535
],
[
2.1078028678894043
],
[
2.1104187965393066
],
[
2.097956657409668
],
[
2.1078028678894043
],
[
2.3007147312164307
],
[
2.0450785160064697
],
[
2.1056113243103027
],
[
2.0128376483917236
],
[
1.7608411312103271
],
[
2.1457934379577637
],
[
2.097956657409668
],
[
1.9667640924453735
],
[
2.0226011276245117
],
[
1.9516404867172241
],
[
1.947873830795288
],
[
1.9240175485610962
],
[
1.911194086074829
],
[
2.1955480575561523
],
[
2.0890231132507324
],
[
2.1184277534484863
],
[
2.1169848442077637
]
] |
[
[
0,
1,
2,
3,
3,
4,
5,
6,
4,
7,
7,
8,
10,
11,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
15,
27,
27,
28,
8,
29,
29,
2,
28,
12,
26,
16,
26,
21
],
[
1,
0,
3,
2,
4,
3,
6,
5,
7,
4,
8,
7,
11,
10,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
15,
28,
27,
29,
8,
2,
29,
12,
28,
16,
26,
21,
26
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
2,
2,
1,
1,
3,
4,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
1
] |
[
[
2,
49,
3,
4,
5,
8,
9,
10,
11,
46,
14,
51,
15,
16,
17,
18,
18,
19,
20,
20,
42,
21,
21,
22,
53,
53,
23,
23,
24,
24,
24,
25,
30,
30,
27,
27,
27,
29,
29,
29,
31,
31,
31,
32,
55,
55,
33,
33,
34,
35,
36,
37,
38,
39,
40,
40,
52,
52,
54,
54,
41,
43,
43,
44,
50,
45,
48,
47
],
[
4,
47,
49,
8,
3,
10,
5,
46,
9,
48,
16,
45,
51,
18,
15,
20,
42,
17,
22,
53,
44,
19,
42,
24,
54,
41,
21,
53,
26,
28,
30,
23,
32,
55,
25,
28,
30,
25,
26,
30,
25,
26,
28,
34,
52,
41,
31,
55,
36,
33,
38,
35,
40,
37,
52,
54,
21,
22,
31,
32,
39,
19,
20,
50,
14,
43,
2,
11
]
] |
[
[
2.109708070755005
],
[
2.078429937362671
],
[
2.0890231132507324
],
[
2.0811779499053955
],
[
2.109708070755005
],
[
2.08910870552063
],
[
2.0811779499053955
],
[
2.1184277534484863
],
[
2.08910870552063
],
[
2.078429937362671
],
[
1.9612630605697632
],
[
1.9516404867172241
],
[
1.9240175485610962
],
[
1.915534496307373
],
[
1.9612630605697632
],
[
2.0161774158477783
],
[
1.9667640924453735
],
[
1.915534496307373
],
[
2.1641530990600586
],
[
2.1056113243103027
],
[
1.911194086074829
],
[
2.0161774158477783
],
[
2.0226011276245117
],
[
1.7897796630859375
],
[
1.9371567964553833
],
[
2.3007147312164307
],
[
2.1641530990600586
],
[
2.0128376483917236
],
[
1.9401891231536865
],
[
1.9052608013153076
],
[
1.922867774963379
],
[
1.7897796630859375
],
[
2.3764853477478027
],
[
1.7608411312103271
],
[
1.9401891231536865
],
[
1.7713242769241333
],
[
1.9783724546432495
],
[
1.9052608013153076
],
[
1.7713242769241333
],
[
1.9402350187301636
],
[
1.922867774963379
],
[
1.9783724546432495
],
[
1.9402350187301636
],
[
2.0590996742248535
],
[
1.9371567964553833
],
[
2.0450785160064697
],
[
2.3764853477478027
],
[
2.1457934379577637
],
[
2.1104187965393066
],
[
2.0590996742248535
],
[
2.1078028678894043
],
[
2.1104187965393066
],
[
2.097956657409668
],
[
2.1078028678894043
],
[
2.3007147312164307
],
[
2.0450785160064697
],
[
2.1056113243103027
],
[
2.0128376483917236
],
[
1.7608411312103271
],
[
2.1457934379577637
],
[
2.097956657409668
],
[
1.9667640924453735
],
[
2.0226011276245117
],
[
1.9516404867172241
],
[
1.9240175485610962
],
[
1.911194086074829
],
[
2.0890231132507324
],
[
2.1184277534484863
]
] |
COc1cc(OC)cc(OC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
7,
8,
7,
9,
9,
10,
10,
11,
10,
12,
3,
13,
13,
14,
14,
15,
14,
16,
14,
17,
17,
1,
10,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
7,
9,
7,
10,
9,
11,
10,
12,
10,
13,
3,
14,
13,
15,
14,
16,
14,
17,
14,
1,
17,
7,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
35,
3,
3,
4,
4,
5,
6,
24,
7,
7,
8,
8,
9,
12,
12,
12,
11,
11,
13,
13,
16,
37,
37,
37,
15,
15,
15,
17,
17,
17,
18,
18,
18,
36,
36,
36,
19,
21,
21,
21,
23,
23,
23,
25,
25,
26,
26,
26,
27,
32,
29,
29,
29,
31,
31,
31,
34,
34,
33,
33,
33
],
[
2,
35,
4,
33,
1,
35,
6,
24,
3,
8,
26,
5,
24,
10,
12,
7,
14,
16,
37,
9,
12,
9,
10,
18,
19,
20,
22,
13,
16,
37,
13,
14,
37,
36,
20,
22,
13,
14,
16,
17,
36,
19,
22,
36,
19,
20,
5,
6,
28,
30,
32,
25,
34,
27,
30,
32,
27,
28,
32,
1,
2,
27,
28,
30
]
] |
[
[
1.9280853271484375
],
[
1.9281182289123535
],
[
1.9533212184906006
],
[
1.9822102785110474
],
[
1.9280853271484375
],
[
1.9342188835144043
],
[
1.920301914215088
],
[
1.937879204750061
],
[
1.9533212184906006
],
[
2.126211166381836
],
[
1.9804449081420898
],
[
1.920301914215088
],
[
1.9262276887893677
],
[
2.182819366455078
],
[
1.9992222785949707
],
[
2.126211166381836
],
[
2.008571147918701
],
[
2.0445556640625
],
[
2.0592310428619385
],
[
2.182819366455078
],
[
2.100397825241089
],
[
1.9992222785949707
],
[
2.100397825241089
],
[
1.0568397045135498
],
[
1.0568087100982666
],
[
2.0871706008911133
],
[
2.1113734245300293
],
[
2.008571147918701
],
[
2.02323317527771
],
[
2.0962812900543213
],
[
2.0445556640625
],
[
2.02323317527771
],
[
1.027967095375061
],
[
1.0568087100982666
],
[
2.0558207035064697
],
[
2.0406391620635986
],
[
2.0592310428619385
],
[
2.0962812900543213
],
[
1.027967095375061
],
[
1.0568397045135498
],
[
2.0871706008911133
],
[
2.0558207035064697
],
[
1.9535473585128784
],
[
2.1113734245300293
],
[
2.0406391620635986
],
[
1.9535473585128784
],
[
1.937879204750061
],
[
1.9262276887893677
],
[
1.9000656604766846
],
[
1.9305434226989746
],
[
1.9192509651184082
],
[
1.9804449081420898
],
[
1.9822102785110474
],
[
1.9000656604766846
],
[
1.8809821605682373
],
[
1.9000810384750366
],
[
1.9305434226989746
],
[
1.8809821605682373
],
[
1.9319725036621094
],
[
1.9281182289123535
],
[
1.9342188835144043
],
[
1.9192509651184082
],
[
1.9000810384750366
],
[
1.9319725036621094
]
] |
[
[
0,
1,
1,
2,
2,
3,
5,
6,
7,
8,
7,
9,
9,
10,
10,
11,
10,
12,
3,
13,
13,
14,
14,
15,
14,
16,
14,
17,
17,
1,
10,
7
],
[
1,
0,
2,
1,
3,
2,
6,
5,
8,
7,
9,
7,
10,
9,
11,
10,
12,
10,
13,
3,
14,
13,
15,
14,
16,
14,
17,
14,
1,
17,
7,
10
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
3,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
29,
3,
3,
4,
5,
18,
10,
31,
31,
31,
9,
9,
11,
11,
12,
12,
12,
30,
30,
13,
15,
15,
15,
17,
17,
17,
19,
20,
20,
20,
21,
26,
23,
23,
23,
25,
25,
25,
28,
28,
27,
27,
27
],
[
2,
29,
4,
27,
1,
29,
18,
3,
20,
12,
13,
14,
16,
10,
31,
8,
31,
30,
14,
16,
8,
10,
11,
30,
13,
16,
30,
13,
14,
5,
22,
24,
26,
19,
28,
21,
24,
26,
21,
22,
26,
1,
2,
21,
22,
24
]
] |
[
[
1.9280853271484375
],
[
1.9281182289123535
],
[
1.9533212184906006
],
[
1.9822102785110474
],
[
1.9280853271484375
],
[
1.9342188835144043
],
[
1.937879204750061
],
[
1.9533212184906006
],
[
1.9804449081420898
],
[
1.0568397045135498
],
[
1.0568087100982666
],
[
2.0871706008911133
],
[
2.1113734245300293
],
[
2.02323317527771
],
[
2.0962812900543213
],
[
2.02323317527771
],
[
1.027967095375061
],
[
1.0568087100982666
],
[
2.0558207035064697
],
[
2.0406391620635986
],
[
2.0962812900543213
],
[
1.027967095375061
],
[
1.0568397045135498
],
[
2.0871706008911133
],
[
2.0558207035064697
],
[
1.9535473585128784
],
[
2.1113734245300293
],
[
2.0406391620635986
],
[
1.9535473585128784
],
[
1.937879204750061
],
[
1.9000656604766846
],
[
1.9305434226989746
],
[
1.9192509651184082
],
[
1.9804449081420898
],
[
1.9822102785110474
],
[
1.9000656604766846
],
[
1.8809821605682373
],
[
1.9000810384750366
],
[
1.9305434226989746
],
[
1.8809821605682373
],
[
1.9319725036621094
],
[
1.9281182289123535
],
[
1.9342188835144043
],
[
1.9192509651184082
],
[
1.9000810384750366
],
[
1.9319725036621094
]
] |
CC1CC(NC(=O)C2(C)CC2(Cl)Cl)CC(C)(C)C1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
10,
19,
19,
20,
6,
21,
21,
22,
1,
23,
23,
24,
24,
25,
24,
26,
26,
27,
27,
28,
28,
29,
29,
30,
30,
31,
24,
32,
32,
33,
33,
34,
34,
35,
35,
36,
35,
37,
37,
38,
38,
39,
22,
3,
31,
27,
38,
32,
19,
7,
17,
12
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
10,
20,
19,
21,
6,
22,
21,
23,
1,
24,
23,
25,
24,
26,
24,
27,
26,
28,
27,
29,
28,
30,
29,
31,
30,
32,
24,
33,
32,
34,
33,
35,
34,
36,
35,
37,
35,
38,
37,
39,
38,
3,
22,
27,
31,
32,
38,
7,
19,
12,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
]
] |
[
[
0,
0,
2,
44,
3,
3,
4,
4,
5,
6,
79,
7,
7,
8,
9,
10,
10,
11,
12,
12,
40,
13,
13,
14,
85,
85,
15,
15,
16,
17,
18,
18,
19,
20,
36,
36,
21,
21,
22,
22,
23,
24,
87,
87,
25,
25,
26,
27,
28,
29,
30,
31,
32,
32,
86,
86,
33,
35,
35,
84,
84,
37,
37,
39,
39,
41,
41,
42,
78,
78,
43,
45,
45,
46,
46,
46,
47,
50,
62,
62,
49,
49,
49,
51,
51,
51,
52,
52,
53,
54,
81,
55,
55,
56,
57,
58,
59,
60,
80,
80,
61,
63,
63,
63,
64,
83,
83,
65,
65,
66,
67,
68,
68,
69,
72,
71,
71,
73,
73,
74,
74,
82,
82,
75,
77,
77
],
[
2,
44,
4,
46,
1,
44,
6,
79,
3,
8,
43,
5,
79,
10,
7,
12,
40,
9,
14,
85,
42,
11,
40,
16,
37,
38,
13,
85,
18,
15,
20,
36,
17,
22,
84,
38,
19,
36,
24,
87,
21,
26,
33,
34,
23,
87,
28,
25,
30,
27,
32,
29,
86,
34,
23,
24,
31,
86,
33,
13,
14,
19,
20,
84,
37,
11,
12,
78,
5,
6,
41,
1,
2,
48,
50,
62,
45,
52,
64,
83,
47,
50,
62,
47,
48,
62,
54,
81,
51,
56,
61,
53,
81,
58,
55,
60,
57,
80,
53,
54,
59,
47,
48,
50,
66,
75,
76,
63,
83,
68,
65,
70,
72,
67,
74,
69,
72,
69,
70,
82,
76,
63,
64,
73,
82,
75
]
] |
[
[
1.9257997274398804
],
[
1.9478256702423096
],
[
1.990788221359253
],
[
2.0633819103240967
],
[
1.9257997274398804
],
[
1.8862385749816895
],
[
2.10560941696167
],
[
2.1136183738708496
],
[
1.990788221359253
],
[
2.1086764335632324
],
[
2.1085376739501953
],
[
2.10560941696167
],
[
2.063906669616699
],
[
2.1201772689819336
],
[
2.1086764335632324
],
[
2.120601177215576
],
[
2.0464823246002197
],
[
2.1201772689819336
],
[
2.224090814590454
],
[
2.232844352722168
],
[
2.118187427520752
],
[
2.120601177215576
],
[
2.116058349609375
],
[
2.027956247329712
],
[
1.8353229761123657
],
[
2.263030529022217
],
[
2.224090814590454
],
[
1.8257001638412476
],
[
1.8038508892059326
],
[
2.027956247329712
],
[
2.1541261672973633
],
[
1.9312214851379395
],
[
1.8038508892059326
],
[
1.9710789918899536
],
[
1.8353229761123657
],
[
2.1847879886627197
],
[
2.1541261672973633
],
[
2.1941606998443604
],
[
2.0767571926116943
],
[
2.141176223754883
],
[
1.9710789918899536
],
[
2.1112825870513916
],
[
2.104607582092285
],
[
2.1292073726654053
],
[
2.0767571926116943
],
[
2.0649538040161133
],
[
2.095102071762085
],
[
2.1112825870513916
],
[
2.0903470516204834
],
[
2.095102071762085
],
[
2.099885940551758
],
[
2.0903470516204834
],
[
2.104607582092285
],
[
2.0493457317352295
],
[
2.141176223754883
],
[
2.0649538040161133
],
[
2.099885940551758
],
[
2.1292073726654053
],
[
2.0493457317352295
],
[
2.232844352722168
],
[
1.8257001638412476
],
[
1.9312214851379395
],
[
2.1941606998443604
],
[
2.263030529022217
],
[
2.1847879886627197
],
[
2.0464823246002197
],
[
2.116058349609375
],
[
2.1085376739501953
],
[
2.1136183738708496
],
[
2.063906669616699
],
[
2.118187427520752
],
[
1.9478256702423096
],
[
1.8862385749816895
],
[
1.8807132244110107
],
[
1.9223995208740234
],
[
2.0151097774505615
],
[
2.0633819103240967
],
[
2.0015292167663574
],
[
2.0765082836151123
],
[
2.167104959487915
],
[
1.8807132244110107
],
[
1.8693006038665771
],
[
1.8125814199447632
],
[
1.9223995208740234
],
[
1.8693006038665771
],
[
1.9534375667572021
],
[
2.2284116744995117
],
[
2.117974281311035
],
[
2.0015292167663574
],
[
1.9131360054016113
],
[
1.7677503824234009
],
[
2.2284116744995117
],
[
1.936645269393921
],
[
1.7947781085968018
],
[
1.9131360054016113
],
[
2.011892080307007
],
[
1.7947781085968018
],
[
1.7677503824234009
],
[
2.117974281311035
],
[
1.936645269393921
],
[
2.011892080307007
],
[
2.0151097774505615
],
[
1.8125814199447632
],
[
1.9534375667572021
],
[
2.1195244789123535
],
[
2.12951922416687
],
[
2.1156091690063477
],
[
2.0765082836151123
],
[
2.0395374298095703
],
[
2.0863046646118164
],
[
2.1195244789123535
],
[
2.0880491733551025
],
[
2.10667085647583
],
[
2.0863046646118164
],
[
2.0846123695373535
],
[
2.0880491733551025
],
[
2.088383674621582
],
[
2.10667085647583
],
[
2.088383674621582
],
[
2.12951922416687
],
[
2.037764549255371
],
[
2.167104959487915
],
[
2.0395374298095703
],
[
2.0846123695373535
],
[
2.1156091690063477
],
[
2.037764549255371
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
7,
8,
8,
9,
9,
10,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
10,
19,
19,
20,
6,
21,
21,
22,
23,
24,
24,
25,
24,
26,
27,
28,
28,
29,
29,
30,
30,
31,
32,
33,
33,
34,
34,
35,
35,
36,
35,
37,
37,
38,
38,
39,
22,
3,
31,
27,
38,
32,
19,
7,
17,
12
],
[
1,
0,
4,
3,
5,
4,
6,
5,
8,
7,
9,
8,
10,
9,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
10,
20,
19,
21,
6,
22,
21,
24,
23,
25,
24,
26,
24,
28,
27,
29,
28,
30,
29,
31,
30,
33,
32,
34,
33,
35,
34,
36,
35,
37,
35,
38,
37,
39,
38,
3,
22,
27,
31,
32,
38,
7,
19,
12,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
5,
5,
3,
3,
2,
2,
6,
6,
6,
6,
7,
7,
7,
7,
7,
8,
8,
8,
8,
8,
8,
8,
8
] |
[
[
2,
63,
3,
4,
5,
6,
7,
30,
8,
69,
69,
9,
10,
11,
12,
13,
26,
26,
14,
71,
71,
15,
16,
17,
18,
19,
20,
21,
22,
22,
70,
23,
25,
25,
68,
27,
29,
29,
31,
32,
62,
33,
34,
34,
37,
37,
39,
39,
40,
65,
41,
42,
43,
44,
45,
46,
64,
47,
48,
67,
67,
49,
50,
51,
52,
52,
53,
56,
55,
55,
57,
57,
58,
58,
66,
59,
61,
61
],
[
4,
33,
63,
6,
3,
30,
5,
32,
10,
27,
28,
69,
12,
9,
26,
11,
68,
28,
16,
23,
24,
71,
18,
15,
20,
17,
22,
19,
70,
24,
14,
21,
70,
23,
8,
13,
68,
27,
7,
62,
2,
31,
36,
38,
35,
38,
35,
36,
42,
47,
65,
44,
41,
46,
43,
64,
40,
45,
50,
59,
60,
67,
52,
49,
54,
56,
51,
58,
53,
56,
53,
54,
66,
60,
48,
57,
66,
59
]
] |
[
[
2.1086764335632324
],
[
2.1085376739501953
],
[
2.063906669616699
],
[
2.1201772689819336
],
[
2.1086764335632324
],
[
2.0464823246002197
],
[
2.1201772689819336
],
[
2.118187427520752
],
[
2.027956247329712
],
[
1.8353229761123657
],
[
2.263030529022217
],
[
1.8257001638412476
],
[
1.8038508892059326
],
[
2.027956247329712
],
[
1.9312214851379395
],
[
1.8038508892059326
],
[
1.8353229761123657
],
[
2.1847879886627197
],
[
2.1112825870513916
],
[
2.104607582092285
],
[
2.1292073726654053
],
[
2.0649538040161133
],
[
2.095102071762085
],
[
2.1112825870513916
],
[
2.0903470516204834
],
[
2.095102071762085
],
[
2.099885940551758
],
[
2.0903470516204834
],
[
2.104607582092285
],
[
2.0493457317352295
],
[
2.0649538040161133
],
[
2.099885940551758
],
[
2.1292073726654053
],
[
2.0493457317352295
],
[
1.8257001638412476
],
[
1.9312214851379395
],
[
2.263030529022217
],
[
2.1847879886627197
],
[
2.0464823246002197
],
[
2.1085376739501953
],
[
2.063906669616699
],
[
2.118187427520752
],
[
1.8807132244110107
],
[
1.9223995208740234
],
[
1.8807132244110107
],
[
1.8693006038665771
],
[
1.9223995208740234
],
[
1.8693006038665771
],
[
1.9131360054016113
],
[
1.7677503824234009
],
[
1.936645269393921
],
[
1.7947781085968018
],
[
1.9131360054016113
],
[
2.011892080307007
],
[
1.7947781085968018
],
[
1.7677503824234009
],
[
1.936645269393921
],
[
2.011892080307007
],
[
2.1195244789123535
],
[
2.12951922416687
],
[
2.1156091690063477
],
[
2.0395374298095703
],
[
2.0863046646118164
],
[
2.1195244789123535
],
[
2.0880491733551025
],
[
2.10667085647583
],
[
2.0863046646118164
],
[
2.0846123695373535
],
[
2.0880491733551025
],
[
2.088383674621582
],
[
2.10667085647583
],
[
2.088383674621582
],
[
2.12951922416687
],
[
2.037764549255371
],
[
2.0395374298095703
],
[
2.0846123695373535
],
[
2.1156091690063477
],
[
2.037764549255371
]
] |
CN(Cc1ccc(-n2cnn(Cc3ccccc3Cl)c2=O)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
1,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
20,
29,
29,
30,
30,
31,
31,
32,
8,
3,
14,
9,
32,
16,
31,
19,
28,
23
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
1,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
20,
30,
29,
31,
30,
32,
31,
3,
8,
9,
14,
16,
32,
19,
31,
23,
28
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
16,
16,
3,
3,
4,
4,
5,
6,
65,
7,
7,
8,
9,
10,
11,
12,
13,
14,
64,
64,
15,
17,
17,
18,
67,
67,
19,
19,
20,
21,
22,
23,
24,
25,
26,
26,
66,
66,
27,
28,
29,
29,
30,
30,
31,
32,
69,
33,
33,
34,
35,
36,
36,
37,
38,
38,
71,
71,
39,
39,
40,
56,
41,
41,
42,
43,
44,
44,
45,
46,
73,
47,
47,
48,
49,
50,
51,
52,
53,
54,
72,
72,
55,
57,
57,
58,
59,
60,
60,
70,
70,
61,
62,
68,
68,
63,
63
],
[
2,
16,
4,
18,
67,
1,
16,
6,
65,
3,
8,
15,
5,
65,
10,
7,
12,
9,
14,
11,
64,
5,
6,
13,
1,
2,
20,
27,
28,
17,
67,
22,
19,
24,
21,
26,
23,
66,
28,
17,
18,
25,
30,
66,
27,
32,
69,
29,
34,
63,
31,
69,
36,
33,
38,
71,
35,
40,
56,
61,
62,
37,
71,
42,
58,
39,
56,
44,
41,
46,
73,
43,
48,
55,
45,
73,
50,
47,
52,
49,
54,
51,
72,
45,
46,
53,
39,
40,
60,
57,
70,
62,
37,
38,
59,
68,
31,
32,
70,
61
]
] |
[
[
2.207271099090576
],
[
2.057835102081299
],
[
2.195892095565796
],
[
2.0189197063446045
],
[
2.1757352352142334
],
[
2.207271099090576
],
[
2.0176641941070557
],
[
1.9901530742645264
],
[
2.1413350105285645
],
[
2.195892095565796
],
[
2.0161921977996826
],
[
2.0958316326141357
],
[
1.9901530742645264
],
[
2.1516246795654297
],
[
2.1475865840911865
],
[
2.0161921977996826
],
[
2.0899298191070557
],
[
2.1475865840911865
],
[
2.065117597579956
],
[
2.0899298191070557
],
[
2.0958316326141357
],
[
2.1413350105285645
],
[
2.1516246795654297
],
[
2.065117597579956
],
[
2.057835102081299
],
[
2.0176641941070557
],
[
2.1062755584716797
],
[
2.073741912841797
],
[
2.1703152656555176
],
[
2.0189197063446045
],
[
2.0880372524261475
],
[
2.0908007621765137
],
[
2.1062755584716797
],
[
2.094703197479248
],
[
2.0908007621765137
],
[
2.112283945083618
],
[
2.094703197479248
],
[
2.073741912841797
],
[
2.039093017578125
],
[
2.1757352352142334
],
[
2.0880372524261475
],
[
2.112283945083618
],
[
1.765282392501831
],
[
2.1703152656555176
],
[
2.039093017578125
],
[
2.0720880031585693
],
[
2.1094932556152344
],
[
1.765282392501831
],
[
2.116067886352539
],
[
2.0476441383361816
],
[
2.0720880031585693
],
[
2.100835084915161
],
[
2.0779690742492676
],
[
2.116067886352539
],
[
2.383096694946289
],
[
2.0673086643218994
],
[
2.0779690742492676
],
[
2.178687334060669
],
[
1.9392662048339844
],
[
1.8360356092453003
],
[
2.1564395427703857
],
[
2.383096694946289
],
[
1.8327218294143677
],
[
2.1710619926452637
],
[
1.8227261304855347
],
[
2.178687334060669
],
[
2.165195941925049
],
[
2.2077558040618896
],
[
2.1710619926452637
],
[
2.159485340118408
],
[
1.9899609088897705
],
[
2.2077558040618896
],
[
2.0765278339385986
],
[
2.052112102508545
],
[
2.159485340118408
],
[
2.1328186988830566
],
[
2.082609176635742
],
[
2.0765278339385986
],
[
2.0602405071258545
],
[
2.082609176635742
],
[
2.1618974208831787
],
[
2.0602405071258545
],
[
2.052112102508545
],
[
1.9899609088897705
],
[
2.1328186988830566
],
[
2.1618974208831787
],
[
1.9392662048339844
],
[
2.165195941925049
],
[
1.9939236640930176
],
[
1.8227261304855347
],
[
1.8360356092453003
],
[
2.290656089782715
],
[
2.0673086643218994
],
[
1.8327218294143677
],
[
1.9939236640930176
],
[
2.0476441383361816
],
[
2.1094932556152344
],
[
2.100835084915161
],
[
2.1564395427703857
],
[
2.290656089782715
]
] |
[
[
0,
1,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
20,
29,
29,
30,
30,
31,
31,
32,
8,
3,
14,
9,
32,
16,
31,
19,
28,
23
],
[
1,
0,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
20,
30,
29,
31,
30,
32,
31,
3,
8,
9,
14,
16,
32,
19,
31,
23,
28
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3,
3,
3,
4,
5,
5,
5,
5,
5,
5,
6,
6,
6,
6,
6,
6,
6,
5,
5,
5,
5
] |
[
[
2,
53,
3,
4,
5,
6,
7,
8,
9,
10,
52,
11,
12,
55,
13,
14,
15,
16,
17,
18,
19,
20,
54,
21,
22,
57,
23,
24,
25,
26,
26,
27,
28,
28,
59,
59,
29,
29,
44,
31,
31,
32,
32,
34,
61,
35,
35,
36,
37,
38,
39,
40,
41,
42,
60,
60,
43,
45,
45,
46,
47,
48,
48,
58,
58,
49,
50,
56,
51,
51
],
[
4,
11,
53,
6,
3,
8,
5,
10,
7,
52,
2,
9,
14,
21,
55,
16,
13,
18,
15,
20,
17,
54,
12,
19,
24,
51,
57,
26,
23,
28,
59,
25,
30,
44,
49,
50,
27,
59,
46,
29,
44,
34,
61,
36,
43,
33,
61,
38,
35,
40,
37,
42,
39,
60,
33,
34,
41,
29,
30,
48,
45,
58,
50,
27,
28,
47,
56,
22,
58,
49
]
] |
[
[
2.0161921977996826
],
[
2.0958316326141357
],
[
2.1516246795654297
],
[
2.1475865840911865
],
[
2.0161921977996826
],
[
2.0899298191070557
],
[
2.1475865840911865
],
[
2.065117597579956
],
[
2.0899298191070557
],
[
2.0958316326141357
],
[
2.1516246795654297
],
[
2.065117597579956
],
[
2.1062755584716797
],
[
2.073741912841797
],
[
2.0880372524261475
],
[
2.0908007621765137
],
[
2.1062755584716797
],
[
2.094703197479248
],
[
2.0908007621765137
],
[
2.112283945083618
],
[
2.094703197479248
],
[
2.073741912841797
],
[
2.0880372524261475
],
[
2.112283945083618
],
[
2.116067886352539
],
[
2.0476441383361816
],
[
2.100835084915161
],
[
2.0779690742492676
],
[
2.116067886352539
],
[
2.383096694946289
],
[
2.0673086643218994
],
[
2.0779690742492676
],
[
2.178687334060669
],
[
1.9392662048339844
],
[
1.8360356092453003
],
[
2.1564395427703857
],
[
2.383096694946289
],
[
1.8327218294143677
],
[
1.8227261304855347
],
[
2.178687334060669
],
[
2.165195941925049
],
[
2.159485340118408
],
[
1.9899609088897705
],
[
2.0765278339385986
],
[
2.052112102508545
],
[
2.159485340118408
],
[
2.1328186988830566
],
[
2.082609176635742
],
[
2.0765278339385986
],
[
2.0602405071258545
],
[
2.082609176635742
],
[
2.1618974208831787
],
[
2.0602405071258545
],
[
2.052112102508545
],
[
1.9899609088897705
],
[
2.1328186988830566
],
[
2.1618974208831787
],
[
1.9392662048339844
],
[
2.165195941925049
],
[
1.9939236640930176
],
[
1.8227261304855347
],
[
1.8360356092453003
],
[
2.290656089782715
],
[
2.0673086643218994
],
[
1.8327218294143677
],
[
1.9939236640930176
],
[
2.0476441383361816
],
[
2.100835084915161
],
[
2.1564395427703857
],
[
2.290656089782715
]
] |
O=C(Nc1nccnn1)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
5,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
13,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
10,
22,
22,
23,
23,
24,
24,
25,
25,
3,
24,
9,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
5,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
10,
23,
22,
24,
23,
25,
24,
3,
25,
9,
24,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
6,
51,
7,
7,
8,
8,
9,
10,
16,
16,
11,
11,
12,
13,
15,
17,
17,
18,
18,
53,
53,
19,
19,
20,
42,
21,
21,
22,
23,
24,
24,
25,
28,
28,
27,
27,
29,
29,
30,
55,
55,
31,
31,
32,
33,
34,
35,
36,
37,
38,
38,
54,
54,
39,
41,
41,
43,
43,
44,
45,
46,
46,
52,
52,
47,
48,
50,
50,
49,
49
],
[
2,
4,
1,
6,
51,
3,
8,
49,
5,
51,
10,
16,
7,
12,
18,
53,
9,
16,
14,
11,
13,
9,
10,
20,
42,
47,
48,
17,
53,
22,
44,
19,
42,
24,
21,
26,
28,
23,
30,
55,
25,
28,
25,
26,
32,
39,
40,
29,
55,
34,
31,
36,
33,
38,
35,
54,
40,
29,
30,
37,
54,
39,
19,
20,
46,
43,
52,
48,
17,
18,
45,
50,
5,
6,
52,
47
]
] |
[
[
1.9167752265930176
],
[
2.1340246200561523
],
[
1.9167752265930176
],
[
1.9950811862945557
],
[
2.1225805282592773
],
[
2.1340246200561523
],
[
2.098757266998291
],
[
2.0441319942474365
],
[
1.9950811862945557
],
[
2.1654977798461914
],
[
2.1319432258605957
],
[
2.0574851036071777
],
[
2.098757266998291
],
[
2.130006790161133
],
[
2.3554272651672363
],
[
2.0907816886901855
],
[
2.1319432258605957
],
[
2.0936391353607178
],
[
1.9324575662612915
],
[
2.130006790161133
],
[
1.9324575662612915
],
[
2.0574851036071777
],
[
2.0936391353607178
],
[
2.201359272003174
],
[
1.9204106330871582
],
[
1.9010398387908936
],
[
2.1066818237304688
],
[
2.3554272651672363
],
[
1.8369333744049072
],
[
1.73056161403656
],
[
1.8714429140090942
],
[
2.201359272003174
],
[
2.161322593688965
],
[
1.9158689975738525
],
[
1.73056161403656
],
[
2.154217481613159
],
[
2.040548324584961
],
[
1.9158689975738525
],
[
2.069084644317627
],
[
2.1161022186279297
],
[
2.154217481613159
],
[
2.088254928588867
],
[
2.040548324584961
],
[
2.088254928588867
],
[
2.0917797088623047
],
[
2.0858993530273438
],
[
2.142367124557495
],
[
2.069084644317627
],
[
2.0979630947113037
],
[
2.0949461460113525
],
[
2.0917797088623047
],
[
2.0964927673339844
],
[
2.0949461460113525
],
[
2.0992369651794434
],
[
2.0964927673339844
],
[
2.0858993530273438
],
[
2.0544371604919434
],
[
2.1161022186279297
],
[
2.0979630947113037
],
[
2.0992369651794434
],
[
2.142367124557495
],
[
2.0544371604919434
],
[
1.9204106330871582
],
[
2.161322593688965
],
[
1.8901320695877075
],
[
1.8714429140090942
],
[
1.9010398387908936
],
[
2.2754085063934326
],
[
2.0907816886901855
],
[
1.8369333744049072
],
[
1.8901320695877075
],
[
2.0441319942474365
],
[
2.1225805282592773
],
[
2.1654977798461914
],
[
2.1066818237304688
],
[
2.2754085063934326
]
] |
[
[
0,
1,
3,
4,
4,
5,
7,
8,
5,
9,
9,
10,
12,
13,
13,
14,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
10,
22,
22,
23,
23,
24,
24,
25,
25,
3,
24,
9,
20,
15
],
[
1,
0,
4,
3,
5,
4,
8,
7,
9,
5,
10,
9,
13,
12,
14,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
10,
23,
22,
24,
23,
25,
24,
3,
25,
9,
24,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
2,
2,
3,
4,
4,
2,
2,
5,
6,
6,
6,
7,
7,
7,
7,
7,
7,
7,
2,
2,
2,
2
] |
[
[
2,
37,
3,
4,
5,
8,
8,
9,
10,
39,
39,
11,
11,
28,
12,
15,
16,
41,
41,
17,
18,
19,
20,
21,
22,
23,
24,
24,
40,
25,
27,
27,
29,
30,
31,
32,
32,
38,
38,
33,
34,
36,
35,
35
],
[
4,
35,
37,
8,
3,
10,
39,
5,
28,
33,
34,
9,
39,
30,
14,
13,
18,
25,
26,
41,
20,
17,
22,
19,
24,
21,
40,
26,
16,
23,
40,
25,
11,
32,
29,
38,
34,
9,
10,
31,
36,
2,
38,
33
]
] |
[
[
2.098757266998291
],
[
2.0441319942474365
],
[
2.1654977798461914
],
[
2.0574851036071777
],
[
2.098757266998291
],
[
2.3554272651672363
],
[
2.0907816886901855
],
[
2.0574851036071777
],
[
1.9204106330871582
],
[
1.9010398387908936
],
[
2.1066818237304688
],
[
2.3554272651672363
],
[
1.8369333744049072
],
[
1.8714429140090942
],
[
2.154217481613159
],
[
2.154217481613159
],
[
2.0917797088623047
],
[
2.0858993530273438
],
[
2.142367124557495
],
[
2.0979630947113037
],
[
2.0949461460113525
],
[
2.0917797088623047
],
[
2.0964927673339844
],
[
2.0949461460113525
],
[
2.0992369651794434
],
[
2.0964927673339844
],
[
2.0858993530273438
],
[
2.0544371604919434
],
[
2.0979630947113037
],
[
2.0992369651794434
],
[
2.142367124557495
],
[
2.0544371604919434
],
[
1.9204106330871582
],
[
1.8901320695877075
],
[
1.8714429140090942
],
[
1.9010398387908936
],
[
2.2754085063934326
],
[
2.0907816886901855
],
[
1.8369333744049072
],
[
1.8901320695877075
],
[
2.0441319942474365
],
[
2.1654977798461914
],
[
2.1066818237304688
],
[
2.2754085063934326
]
] |
CCNc1nc(NCC)n2c(SCC(=O)c3ccccc3Cl)nnc2n1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
15,
17,
9,
18,
18,
19,
19,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
15,
18,
9,
19,
18,
6,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
7,
8,
9,
10,
10,
11,
12,
39,
13,
13,
14,
15,
16,
16,
17,
18,
34,
19,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
27,
28,
28,
29,
31,
31,
33,
33,
35,
35,
36,
38,
38,
37
],
[
2,
4,
1,
6,
3,
8,
5,
10,
7,
12,
39,
9,
14,
37,
11,
39,
16,
13,
18,
34,
15,
20,
36,
17,
34,
22,
24,
19,
26,
21,
24,
21,
22,
28,
25,
30,
32,
27,
29,
32,
29,
30,
17,
18,
38,
11,
12,
35
]
] |
[
[
1.9435890913009644
],
[
1.9796762466430664
],
[
1.9435890913009644
],
[
1.97965669631958
],
[
1.9796762466430664
],
[
1.9395475387573242
],
[
1.97965669631958
],
[
1.9491386413574219
],
[
1.9395475387573242
],
[
2.103884696960449
],
[
2.1062142848968506
],
[
1.9491386413574219
],
[
2.1075222492218018
],
[
2.101508617401123
],
[
2.103884696960449
],
[
2.0728158950805664
],
[
2.103632688522339
],
[
2.1075222492218018
],
[
2.1665477752685547
],
[
2.0720839500427246
],
[
2.103632688522339
],
[
2.221529960632324
],
[
2.108715057373047
],
[
2.1665477752685547
],
[
2.044527769088745
],
[
2.225707769393921
],
[
1.9515955448150635
],
[
2.221529960632324
],
[
2.0829803943634033
],
[
2.225707769393921
],
[
2.105855703353882
],
[
1.9515955448150635
],
[
2.105855703353882
],
[
2.1481950283050537
],
[
2.0829803943634033
],
[
2.1766085624694824
],
[
1.985634207725525
],
[
2.1481950283050537
],
[
2.1766085624694824
],
[
2.1209163665771484
],
[
1.985634207725525
],
[
2.1209163665771484
],
[
2.0720839500427246
],
[
2.044527769088745
],
[
2.101508617401123
],
[
2.1062142848968506
],
[
2.0728158950805664
],
[
2.108715057373047
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
8,
9,
11,
12,
11,
13,
14,
15,
15,
16,
15,
17,
9,
18,
18,
19,
19,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
9,
8,
12,
11,
13,
11,
15,
14,
16,
15,
17,
15,
18,
9,
19,
18,
6,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
1,
1,
1,
1,
2,
3,
3,
3,
4,
4,
4,
4,
1,
1
] |
[
[
0,
2,
3,
4,
5,
6,
7,
9,
10,
31,
11,
12,
13,
14,
15,
26,
17,
19,
20,
20,
23,
23,
25,
25,
27,
28,
30,
29
],
[
2,
4,
1,
6,
3,
8,
5,
7,
12,
29,
31,
14,
11,
26,
13,
28,
18,
16,
22,
24,
21,
24,
21,
22,
15,
30,
10,
27
]
] |
[
[
1.9435890913009644
],
[
1.9796762466430664
],
[
1.9435890913009644
],
[
1.97965669631958
],
[
1.9796762466430664
],
[
1.9395475387573242
],
[
1.97965669631958
],
[
1.9395475387573242
],
[
2.1075222492218018
],
[
2.101508617401123
],
[
2.0728158950805664
],
[
2.103632688522339
],
[
2.1075222492218018
],
[
2.0720839500427246
],
[
2.103632688522339
],
[
2.108715057373047
],
[
2.105855703353882
],
[
2.105855703353882
],
[
2.1766085624694824
],
[
1.985634207725525
],
[
2.1766085624694824
],
[
2.1209163665771484
],
[
1.985634207725525
],
[
2.1209163665771484
],
[
2.0720839500427246
],
[
2.101508617401123
],
[
2.0728158950805664
],
[
2.108715057373047
]
] |
CCCCCCc1ccc(NC(=O)C=CC(=O)O)cc1
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
4,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
21,
23,
23,
24,
23,
25,
25,
26,
26,
27,
26,
4,
26,
9,
21,
10,
19,
13
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
4,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
21,
24,
23,
25,
23,
26,
25,
27,
26,
4,
26,
9,
26,
10,
21,
13,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
3,
6,
6,
6,
5,
5,
7,
7,
10,
10,
55,
55,
55,
9,
9,
9,
11,
11,
11,
14,
13,
13,
15,
15,
16,
16,
17,
18,
18,
57,
57,
57,
19,
19,
20,
59,
59,
59,
21,
21,
22,
23,
24,
24,
25,
26,
61,
61,
61,
27,
27,
28,
28,
29,
32,
31,
31,
33,
33,
34,
35,
36,
36,
36,
60,
60,
37,
40,
40,
40,
39,
39,
39,
58,
58,
41,
41,
41,
44,
44,
43,
43,
43,
45,
45,
45,
48,
47,
47,
49,
49,
50,
50,
50,
54,
54,
54,
56,
56,
51,
53,
53,
53
],
[
2,
4,
6,
1,
8,
10,
55,
3,
6,
3,
4,
12,
14,
56,
51,
52,
7,
10,
55,
7,
8,
55,
16,
11,
14,
11,
12,
18,
57,
15,
20,
59,
54,
51,
52,
17,
57,
22,
41,
42,
44,
19,
59,
24,
21,
26,
61,
23,
28,
37,
38,
40,
25,
61,
30,
32,
27,
34,
29,
32,
29,
30,
36,
33,
60,
38,
40,
25,
26,
35,
58,
42,
44,
60,
37,
40,
19,
20,
60,
37,
38,
46,
48,
58,
41,
44,
58,
41,
42,
50,
45,
48,
45,
46,
54,
56,
52,
7,
8,
10,
17,
18,
49,
54,
56,
51
]
] |
[
[
1.9936139583587646
],
[
2.177353620529175
],
[
1.9803444147109985
],
[
1.9936139583587646
],
[
1.8707962036132812
],
[
1.985238790512085
],
[
2.0036919116973877
],
[
2.177353620529175
],
[
2.125317096710205
],
[
1.9803444147109985
],
[
2.125317096710205
],
[
2.030275821685791
],
[
1.8421717882156372
],
[
1.7887992858886719
],
[
1.9338786602020264
],
[
1.9479641914367676
],
[
1.8707962036132812
],
[
1.8902413845062256
],
[
1.9127540588378906
],
[
1.985238790512085
],
[
1.8902413845062256
],
[
1.7981791496276855
],
[
1.8707298040390015
],
[
2.030275821685791
],
[
1.982892632484436
],
[
1.8421717882156372
],
[
1.982892632484436
],
[
2.0334768295288086
],
[
1.8387328386306763
],
[
1.8707298040390015
],
[
1.925959825515747
],
[
1.986077904701233
],
[
1.7887992858886719
],
[
1.9355313777923584
],
[
1.9470272064208984
],
[
2.0334768295288086
],
[
2.0089111328125
],
[
1.9650487899780273
],
[
1.9609206914901733
],
[
1.8599389791488647
],
[
1.9235740900039673
],
[
1.925959825515747
],
[
1.9545331001281738
],
[
1.9203475713729858
],
[
1.9650487899780273
],
[
2.1023359298706055
],
[
2.018421173095703
],
[
1.9203475713729858
],
[
2.1273484230041504
],
[
1.932193636894226
],
[
1.877381443977356
],
[
1.8856630325317383
],
[
2.1023359298706055
],
[
2.1616787910461426
],
[
2.118656873703003
],
[
2.046715259552002
],
[
2.1273484230041504
],
[
2.112405776977539
],
[
2.118656873703003
],
[
2.1177873611450195
],
[
2.046715259552002
],
[
2.1177873611450195
],
[
2.185654401779175
],
[
2.112405776977539
],
[
1.932193636894226
],
[
1.8458404541015625
],
[
1.9316920042037964
],
[
2.018421173095703
],
[
2.1616787910461426
],
[
2.185654401779175
],
[
1.9609206914901733
],
[
1.8557031154632568
],
[
2.004976749420166
],
[
1.877381443977356
],
[
1.8458404541015625
],
[
1.9906336069107056
],
[
1.986077904701233
],
[
1.9545331001281738
],
[
1.8856630325317383
],
[
1.9316920042037964
],
[
1.9906336069107056
],
[
1.966418743133545
],
[
1.9505177736282349
],
[
1.8599389791488647
],
[
1.8557031154632568
],
[
1.8478480577468872
],
[
1.9235740900039673
],
[
2.004976749420166
],
[
1.8478480577468872
],
[
2.0178139209747314
],
[
1.966418743133545
],
[
1.9110796451568604
],
[
1.9505177736282349
],
[
1.9110796451568604
],
[
1.9338786602020264
],
[
1.9355313777923584
],
[
1.908642292022705
],
[
2.0036919116973877
],
[
1.9127540588378906
],
[
1.7981791496276855
],
[
1.8387328386306763
],
[
2.0089111328125
],
[
2.0178139209747314
],
[
1.9479641914367676
],
[
1.9470272064208984
],
[
1.908642292022705
]
] |
[
[
0,
1,
2,
3,
4,
5,
4,
6,
6,
7,
6,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
21,
23,
23,
24,
23,
25,
25,
26,
26,
27,
26,
4,
26,
9,
21,
10,
19,
13
],
[
1,
0,
3,
2,
5,
4,
6,
4,
7,
6,
8,
6,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
21,
24,
23,
25,
23,
26,
25,
27,
26,
4,
26,
9,
26,
10,
21,
13,
19
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2
] |
[
[
6,
6,
51,
51,
51,
5,
5,
7,
7,
10,
9,
9,
11,
11,
12,
12,
13,
14,
14,
53,
53,
53,
15,
15,
16,
55,
55,
55,
17,
17,
18,
19,
20,
20,
21,
22,
57,
57,
57,
23,
23,
24,
24,
25,
28,
27,
27,
29,
29,
30,
31,
32,
32,
32,
56,
56,
33,
36,
36,
36,
35,
35,
35,
54,
54,
37,
37,
37,
40,
40,
39,
39,
39,
41,
41,
41,
44,
43,
43,
45,
45,
46,
46,
46,
50,
50,
52,
52,
47,
49,
49,
49
],
[
8,
10,
52,
47,
48,
6,
51,
4,
51,
12,
7,
10,
7,
8,
14,
53,
11,
16,
55,
50,
47,
48,
13,
53,
18,
37,
38,
40,
15,
55,
20,
17,
22,
57,
19,
24,
33,
34,
36,
21,
57,
26,
28,
23,
30,
25,
28,
25,
26,
32,
29,
56,
34,
36,
21,
22,
31,
54,
38,
40,
56,
33,
36,
15,
16,
56,
33,
34,
42,
44,
54,
37,
40,
54,
37,
38,
46,
41,
44,
41,
42,
50,
52,
48,
4,
6,
13,
14,
45,
50,
52,
47
]
] |
[
[
2.030275821685791
],
[
1.8421717882156372
],
[
1.7887992858886719
],
[
1.9338786602020264
],
[
1.9479641914367676
],
[
1.8902413845062256
],
[
1.9127540588378906
],
[
1.8902413845062256
],
[
1.7981791496276855
],
[
1.8707298040390015
],
[
2.030275821685791
],
[
1.982892632484436
],
[
1.8421717882156372
],
[
1.982892632484436
],
[
2.0334768295288086
],
[
1.8387328386306763
],
[
1.8707298040390015
],
[
1.925959825515747
],
[
1.986077904701233
],
[
1.7887992858886719
],
[
1.9355313777923584
],
[
1.9470272064208984
],
[
2.0334768295288086
],
[
2.0089111328125
],
[
1.9650487899780273
],
[
1.9609206914901733
],
[
1.8599389791488647
],
[
1.9235740900039673
],
[
1.925959825515747
],
[
1.9545331001281738
],
[
1.9203475713729858
],
[
1.9650487899780273
],
[
2.1023359298706055
],
[
2.018421173095703
],
[
1.9203475713729858
],
[
2.1273484230041504
],
[
1.932193636894226
],
[
1.877381443977356
],
[
1.8856630325317383
],
[
2.1023359298706055
],
[
2.1616787910461426
],
[
2.118656873703003
],
[
2.046715259552002
],
[
2.1273484230041504
],
[
2.112405776977539
],
[
2.118656873703003
],
[
2.1177873611450195
],
[
2.046715259552002
],
[
2.1177873611450195
],
[
2.185654401779175
],
[
2.112405776977539
],
[
1.932193636894226
],
[
1.8458404541015625
],
[
1.9316920042037964
],
[
2.018421173095703
],
[
2.1616787910461426
],
[
2.185654401779175
],
[
1.9609206914901733
],
[
1.8557031154632568
],
[
2.004976749420166
],
[
1.877381443977356
],
[
1.8458404541015625
],
[
1.9906336069107056
],
[
1.986077904701233
],
[
1.9545331001281738
],
[
1.8856630325317383
],
[
1.9316920042037964
],
[
1.9906336069107056
],
[
1.966418743133545
],
[
1.9505177736282349
],
[
1.8599389791488647
],
[
1.8557031154632568
],
[
1.8478480577468872
],
[
1.9235740900039673
],
[
2.004976749420166
],
[
1.8478480577468872
],
[
2.0178139209747314
],
[
1.966418743133545
],
[
1.9110796451568604
],
[
1.9505177736282349
],
[
1.9110796451568604
],
[
1.9338786602020264
],
[
1.9355313777923584
],
[
1.908642292022705
],
[
1.9127540588378906
],
[
1.7981791496276855
],
[
1.8387328386306763
],
[
2.0089111328125
],
[
2.0178139209747314
],
[
1.9479641914367676
],
[
1.9470272064208984
],
[
1.908642292022705
]
] |
COC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
3,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
14,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
27,
28,
27,
29,
29,
30,
29,
31,
29,
32,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
25,
1,
37,
32,
23,
11,
21,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
3,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
14,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
27,
29,
27,
30,
29,
31,
29,
32,
29,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
1,
25,
32,
37,
11,
23,
15,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
75,
75,
3,
3,
4,
4,
5,
6,
6,
14,
14,
14,
7,
7,
10,
9,
9,
11,
11,
13,
15,
15,
20,
20,
17,
17,
17,
19,
19,
19,
21,
21,
21,
22,
79,
79,
23,
23,
24,
25,
26,
26,
27,
28,
28,
42,
29,
29,
30,
81,
31,
31,
32,
33,
34,
35,
36,
36,
37,
40,
39,
39,
80,
80,
41,
41,
43,
43,
44,
44,
78,
78,
45,
46,
47,
47,
48,
48,
74,
74,
49,
50,
51,
51,
52,
52,
53,
56,
56,
56,
55,
55,
57,
57,
62,
62,
59,
59,
59,
61,
61,
61,
63,
63,
63,
64,
77,
65,
65,
66,
67,
68,
69,
70,
71,
72,
76,
76,
73
],
[
2,
75,
4,
49,
50,
1,
75,
6,
14,
3,
8,
10,
16,
18,
20,
5,
14,
12,
7,
10,
7,
8,
11,
5,
6,
22,
79,
15,
18,
20,
15,
16,
20,
15,
16,
18,
24,
45,
46,
21,
79,
26,
23,
28,
42,
25,
30,
81,
44,
27,
42,
32,
41,
29,
81,
34,
31,
36,
33,
38,
40,
35,
80,
37,
40,
29,
30,
37,
38,
27,
28,
78,
46,
21,
22,
43,
48,
78,
45,
74,
50,
1,
2,
47,
52,
74,
49,
54,
56,
51,
58,
60,
62,
53,
56,
53,
54,
64,
77,
57,
60,
62,
57,
58,
62,
57,
58,
60,
66,
73,
63,
77,
68,
65,
70,
67,
72,
69,
76,
63,
64,
71
]
] |
[
[
1.8688879013061523
],
[
2.0085601806640625
],
[
2.018967628479004
],
[
1.8536789417266846
],
[
1.982702612876892
],
[
1.8688879013061523
],
[
1.9745652675628662
],
[
2.0793089866638184
],
[
2.111360549926758
],
[
2.018967628479004
],
[
1.9471343755722046
],
[
1.9379395246505737
],
[
1.9290175437927246
],
[
1.8728561401367188
],
[
1.7461283206939697
],
[
2.0793089866638184
],
[
2.0618011951446533
],
[
1.9593513011932373
],
[
1.9471343755722046
],
[
1.9789581298828125
],
[
1.9379395246505737
],
[
1.9789581298828125
],
[
1.9593513011932373
],
[
2.111360549926758
],
[
2.0618011951446533
],
[
2.0759201049804688
],
[
2.1104917526245117
],
[
1.9290175437927246
],
[
2.1010990142822266
],
[
1.8988099098205566
],
[
1.8728561401367188
],
[
2.1010990142822266
],
[
1.8823002576828003
],
[
1.7461283206939697
],
[
1.8988099098205566
],
[
1.8823002576828003
],
[
2.094996929168701
],
[
2.0818567276000977
],
[
2.1535537242889404
],
[
2.0759201049804688
],
[
2.096438407897949
],
[
2.109504222869873
],
[
2.094996929168701
],
[
2.115936279296875
],
[
2.059380292892456
],
[
2.109504222869873
],
[
2.1100082397460938
],
[
2.1146891117095947
],
[
2.123563289642334
],
[
2.115936279296875
],
[
2.1078391075134277
],
[
2.117157459259033
],
[
2.1010265350341797
],
[
2.1100082397460938
],
[
2.058459520339966
],
[
2.091510772705078
],
[
2.117157459259033
],
[
2.082303285598755
],
[
2.091510772705078
],
[
2.0838046073913574
],
[
2.1158623695373535
],
[
2.082303285598755
],
[
2.1010265350341797
],
[
2.0838046073913574
],
[
2.0834920406341553
],
[
2.1146891117095947
],
[
2.058459520339966
],
[
2.1158623695373535
],
[
2.0834920406341553
],
[
2.059380292892456
],
[
2.1078391075134277
],
[
2.0818567276000977
],
[
2.04343318939209
],
[
2.1104917526245117
],
[
2.096438407897949
],
[
2.123563289642334
],
[
1.9918943643569946
],
[
2.1535537242889404
],
[
2.04343318939209
],
[
1.8536789417266846
],
[
1.8593473434448242
],
[
2.0085601806640625
],
[
1.9745652675628662
],
[
1.9918943643569946
],
[
1.949369192123413
],
[
1.982702612876892
],
[
1.8593473434448242
],
[
1.9852218627929688
],
[
2.057107925415039
],
[
1.949369192123413
],
[
1.8861457109451294
],
[
1.8858458995819092
],
[
1.8068677186965942
],
[
1.9852218627929688
],
[
2.048668146133423
],
[
2.057107925415039
],
[
2.048668146133423
],
[
2.086205005645752
],
[
2.0910732746124268
],
[
1.8861457109451294
],
[
2.110682487487793
],
[
1.8757883310317993
],
[
1.8858458995819092
],
[
2.110682487487793
],
[
1.8753924369812012
],
[
1.8068677186965942
],
[
1.8757883310317993
],
[
1.8753924369812012
],
[
2.0861449241638184
],
[
2.0861687660217285
],
[
2.086205005645752
],
[
2.1043078899383545
],
[
2.094876527786255
],
[
2.0861449241638184
],
[
2.099430799484253
],
[
2.094876527786255
],
[
2.094738006591797
],
[
2.099430799484253
],
[
2.0861687660217285
],
[
2.0910732746124268
],
[
2.1043078899383545
],
[
2.094738006591797
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
4,
6,
6,
7,
3,
8,
8,
9,
8,
10,
8,
11,
11,
12,
12,
13,
13,
14,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
14,
22,
22,
23,
23,
24,
24,
25,
27,
28,
29,
30,
29,
31,
29,
32,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
25,
1,
37,
32,
23,
11,
21,
15
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
4,
7,
6,
8,
3,
9,
8,
10,
8,
11,
8,
12,
11,
13,
12,
14,
13,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
14,
23,
22,
24,
23,
25,
24,
28,
27,
30,
29,
31,
29,
32,
29,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
1,
25,
32,
37,
11,
23,
15,
21
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
0,
0,
0,
0,
0,
0,
0,
2,
2,
2,
2,
2,
2,
2,
0,
0,
0,
0,
3,
4,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5
] |
[
[
0,
0,
2,
65,
3,
3,
4,
5,
12,
12,
12,
8,
7,
9,
11,
13,
18,
18,
15,
15,
15,
17,
17,
17,
19,
19,
19,
20,
69,
69,
21,
21,
22,
23,
24,
25,
38,
26,
71,
27,
28,
29,
30,
31,
32,
32,
33,
36,
35,
35,
70,
37,
37,
39,
40,
40,
68,
68,
41,
42,
43,
43,
44,
64,
64,
45,
52,
52,
49,
49,
51,
51,
53,
53,
54,
67,
55,
55,
56,
57,
58,
59,
60,
61,
62,
66,
66,
63
],
[
2,
65,
4,
45,
1,
65,
12,
3,
14,
16,
18,
10,
8,
6,
9,
5,
20,
69,
13,
16,
18,
13,
14,
18,
13,
14,
16,
22,
41,
42,
19,
69,
24,
21,
38,
23,
40,
28,
37,
71,
30,
27,
32,
29,
34,
36,
31,
70,
33,
36,
26,
33,
34,
25,
68,
42,
19,
20,
39,
44,
68,
41,
64,
1,
2,
43,
54,
67,
50,
52,
48,
52,
48,
50,
56,
63,
53,
67,
58,
55,
60,
57,
62,
59,
66,
53,
54,
61
]
] |
[
[
1.8688879013061523
],
[
2.0085601806640625
],
[
2.018967628479004
],
[
1.8536789417266846
],
[
1.8688879013061523
],
[
1.9745652675628662
],
[
2.111360549926758
],
[
2.018967628479004
],
[
1.9290175437927246
],
[
1.8728561401367188
],
[
1.7461283206939697
],
[
1.9593513011932373
],
[
1.9789581298828125
],
[
1.9789581298828125
],
[
1.9593513011932373
],
[
2.111360549926758
],
[
2.0759201049804688
],
[
2.1104917526245117
],
[
1.9290175437927246
],
[
2.1010990142822266
],
[
1.8988099098205566
],
[
1.8728561401367188
],
[
2.1010990142822266
],
[
1.8823002576828003
],
[
1.7461283206939697
],
[
1.8988099098205566
],
[
1.8823002576828003
],
[
2.094996929168701
],
[
2.0818567276000977
],
[
2.1535537242889404
],
[
2.0759201049804688
],
[
2.096438407897949
],
[
2.109504222869873
],
[
2.094996929168701
],
[
2.059380292892456
],
[
2.109504222869873
],
[
2.123563289642334
],
[
2.117157459259033
],
[
2.1010265350341797
],
[
2.058459520339966
],
[
2.091510772705078
],
[
2.117157459259033
],
[
2.082303285598755
],
[
2.091510772705078
],
[
2.0838046073913574
],
[
2.1158623695373535
],
[
2.082303285598755
],
[
2.1010265350341797
],
[
2.0838046073913574
],
[
2.0834920406341553
],
[
2.058459520339966
],
[
2.1158623695373535
],
[
2.0834920406341553
],
[
2.059380292892456
],
[
2.0818567276000977
],
[
2.04343318939209
],
[
2.1104917526245117
],
[
2.096438407897949
],
[
2.123563289642334
],
[
1.9918943643569946
],
[
2.1535537242889404
],
[
2.04343318939209
],
[
1.8536789417266846
],
[
2.0085601806640625
],
[
1.9745652675628662
],
[
1.9918943643569946
],
[
2.086205005645752
],
[
2.0910732746124268
],
[
2.110682487487793
],
[
1.8757883310317993
],
[
2.110682487487793
],
[
1.8753924369812012
],
[
1.8757883310317993
],
[
1.8753924369812012
],
[
2.0861449241638184
],
[
2.0861687660217285
],
[
2.086205005645752
],
[
2.1043078899383545
],
[
2.094876527786255
],
[
2.0861449241638184
],
[
2.099430799484253
],
[
2.094876527786255
],
[
2.094738006591797
],
[
2.099430799484253
],
[
2.0861687660217285
],
[
2.0910732746124268
],
[
2.1043078899383545
],
[
2.094738006591797
]
] |
CC1CN(C(C)CO)S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2OC1CN(C)S(=O)(=O)c1ccccc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
9,
12,
12,
13,
4,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
15,
1,
22,
17,
13,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
9,
13,
12,
14,
4,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
1,
15,
17,
22,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
2,
5,
0,
0,
0,
0,
0
],
[
6,
0,
1,
5,
0,
0,
0,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
45,
45,
3,
3,
4,
5,
6,
6,
7,
8,
26,
9,
9,
10,
10,
11,
12,
49,
13,
13,
14,
15,
16,
16,
17,
18,
22,
19,
19,
21,
23,
23,
24,
48,
48,
25,
27,
27,
28,
28,
44,
44,
29,
30,
31,
31,
32,
32,
33,
34,
47,
35,
35,
36,
37,
38,
39,
40,
41,
42,
46,
46,
43
],
[
2,
45,
4,
29,
30,
1,
45,
6,
3,
8,
26,
5,
10,
28,
7,
26,
12,
49,
9,
14,
25,
11,
49,
16,
13,
18,
22,
15,
20,
24,
17,
22,
19,
17,
18,
48,
11,
12,
23,
7,
8,
44,
30,
1,
2,
27,
32,
44,
29,
34,
47,
31,
36,
43,
33,
47,
38,
35,
40,
37,
42,
39,
46,
33,
34,
41
]
] |
[
[
2.102808952331543
],
[
2.178251266479492
],
[
2.1669106483459473
],
[
2.138165235519409
],
[
2.1478681564331055
],
[
2.102808952331543
],
[
2.0020976066589355
],
[
2.041656255722046
],
[
2.1669106483459473
],
[
2.130389928817749
],
[
2.1509270668029785
],
[
2.041656255722046
],
[
2.3427045345306396
],
[
2.0650441646575928
],
[
2.130389928817749
],
[
2.0018177032470703
],
[
2.163506507873535
],
[
2.067988872528076
],
[
2.3427045345306396
],
[
2.118000030517578
],
[
2.12083101272583
],
[
2.163506507873535
],
[
2.0516233444213867
],
[
2.0988006591796875
],
[
2.118000030517578
],
[
2.1004018783569336
],
[
2.082679510116577
],
[
2.0988006591796875
],
[
3.135014533996582
],
[
2.094379425048828
],
[
2.1004018783569336
],
[
2.10007905960083
],
[
3.135014533996582
],
[
2.082679510116577
],
[
2.10007905960083
],
[
2.12083101272583
],
[
2.067988872528076
],
[
2.0516233444213867
],
[
2.094379425048828
],
[
2.1509270668029785
],
[
2.0018177032470703
],
[
2.138165235519409
],
[
1.9969148635864258
],
[
2.178251266479492
],
[
2.0020976066589355
],
[
2.0650441646575928
],
[
2.0053608417510986
],
[
2.1478681564331055
],
[
1.9969148635864258
],
[
1.881223440170288
],
[
1.9403825998306274
],
[
2.0053608417510986
],
[
1.9508286714553833
],
[
1.9485421180725098
],
[
1.881223440170288
],
[
1.92755126953125
],
[
1.9473732709884644
],
[
1.9508286714553833
],
[
1.9473321437835693
],
[
1.9473732709884644
],
[
1.9496955871582031
],
[
1.9473321437835693
],
[
1.9485421180725098
],
[
1.9403825998306274
],
[
1.92755126953125
],
[
1.9496955871582031
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
9,
12,
12,
13,
4,
14,
14,
15,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
15,
1,
22,
17,
13,
6
],
[
1,
0,
2,
1,
3,
2,
4,
3,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
9,
13,
12,
14,
4,
15,
14,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
1,
15,
17,
22,
6,
13
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
2,
0,
1
],
[
2,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
0,
0,
3,
4,
4,
4,
4,
4,
4
] |
[
[
0,
0,
2,
37,
3,
3,
4,
5,
6,
7,
22,
8,
41,
9,
10,
11,
12,
12,
13,
14,
18,
15,
15,
17,
19,
19,
20,
40,
21,
23,
24,
36,
36,
25,
26,
39,
27,
28,
29,
30,
31,
32,
33,
34,
38,
35
],
[
2,
37,
4,
25,
1,
37,
6,
3,
22,
5,
24,
10,
21,
41,
12,
9,
14,
18,
11,
16,
20,
13,
18,
15,
13,
14,
40,
8,
19,
7,
36,
1,
2,
23,
28,
35,
39,
30,
27,
32,
29,
34,
31,
38,
26,
33
]
] |
[
[
2.102808952331543
],
[
2.178251266479492
],
[
2.1669106483459473
],
[
2.138165235519409
],
[
2.102808952331543
],
[
2.0020976066589355
],
[
2.041656255722046
],
[
2.1669106483459473
],
[
2.1509270668029785
],
[
2.041656255722046
],
[
2.0650441646575928
],
[
2.118000030517578
],
[
2.12083101272583
],
[
2.0516233444213867
],
[
2.0988006591796875
],
[
2.118000030517578
],
[
2.1004018783569336
],
[
2.082679510116577
],
[
2.0988006591796875
],
[
3.135014533996582
],
[
2.094379425048828
],
[
2.1004018783569336
],
[
2.10007905960083
],
[
3.135014533996582
],
[
2.082679510116577
],
[
2.10007905960083
],
[
2.12083101272583
],
[
2.0516233444213867
],
[
2.094379425048828
],
[
2.1509270668029785
],
[
2.138165235519409
],
[
2.178251266479492
],
[
2.0020976066589355
],
[
2.0650441646575928
],
[
1.9508286714553833
],
[
1.9485421180725098
],
[
1.92755126953125
],
[
1.9473732709884644
],
[
1.9508286714553833
],
[
1.9473321437835693
],
[
1.9473732709884644
],
[
1.9496955871582031
],
[
1.9473321437835693
],
[
1.9485421180725098
],
[
1.92755126953125
],
[
1.9496955871582031
]
] |
Cc1cnc(Nc2ccc(C#N)cc2)nc1NC1CCCCC1
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
4,
12,
12,
13,
13,
14,
14,
15,
15,
16,
15,
17,
17,
18,
17,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
13,
27,
27,
28,
28,
29,
28,
30,
30,
31,
31,
32,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
30,
38,
38,
39,
38,
40,
40,
4,
11,
6,
26,
20,
40,
27,
37,
32
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
4,
13,
12,
14,
13,
15,
14,
16,
15,
17,
15,
18,
17,
19,
17,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
13,
28,
27,
29,
28,
30,
28,
31,
30,
32,
31,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
38,
30,
39,
38,
40,
38,
4,
40,
6,
11,
20,
26,
27,
40,
32,
37
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
]
] |
[
[
0,
2,
2,
3,
6,
6,
6,
5,
5,
7,
7,
8,
22,
81,
81,
9,
9,
9,
10,
10,
11,
12,
83,
13,
13,
14,
15,
16,
17,
18,
19,
20,
82,
82,
21,
23,
23,
23,
24,
24,
25,
26,
52,
52,
27,
27,
28,
28,
29,
32,
32,
32,
31,
31,
33,
33,
38,
38,
35,
35,
35,
37,
37,
37,
39,
39,
39,
40,
85,
41,
41,
42,
43,
44,
44,
45,
48,
47,
47,
49,
49,
50,
84,
84,
51,
53,
53,
54,
54,
87,
87,
55,
55,
58,
58,
57,
57,
59,
59,
60,
74,
74,
61,
61,
62,
62,
63,
64,
89,
65,
65,
66,
67,
68,
69,
70,
71,
72,
88,
88,
73,
75,
75,
78,
78,
77,
77,
80,
80,
80,
86,
86,
79,
79
],
[
2,
4,
6,
1,
8,
22,
81,
3,
6,
3,
4,
10,
24,
86,
79,
7,
22,
81,
12,
83,
9,
14,
21,
11,
83,
16,
13,
18,
15,
20,
17,
82,
11,
12,
19,
7,
8,
81,
26,
52,
23,
28,
54,
87,
25,
52,
30,
32,
27,
34,
36,
38,
29,
32,
29,
30,
40,
85,
33,
36,
38,
33,
34,
38,
33,
34,
36,
42,
51,
39,
85,
44,
41,
46,
48,
43,
50,
45,
48,
45,
46,
84,
39,
40,
49,
25,
26,
56,
58,
80,
79,
53,
87,
60,
74,
55,
58,
55,
56,
62,
76,
78,
59,
74,
64,
89,
61,
66,
73,
63,
89,
68,
65,
70,
67,
72,
69,
88,
63,
64,
71,
59,
60,
80,
86,
75,
78,
7,
8,
22,
53,
54,
75,
76
]
] |
[
[
2.0000057220458984
],
[
2.1554903984069824
],
[
1.9619431495666504
],
[
2.0000057220458984
],
[
1.883151650428772
],
[
1.95124351978302
],
[
1.9888461828231812
],
[
2.1554903984069824
],
[
2.1657042503356934
],
[
1.9619431495666504
],
[
2.1657042503356934
],
[
2.0212578773498535
],
[
1.8404614925384521
],
[
1.8369638919830322
],
[
2.0437872409820557
],
[
1.883151650428772
],
[
1.9657354354858398
],
[
1.918378233909607
],
[
2.11063289642334
],
[
2.0974960327148438
],
[
2.0212578773498535
],
[
2.1031792163848877
],
[
2.1035685539245605
],
[
2.11063289642334
],
[
2.075002431869507
],
[
2.096208333969116
],
[
2.1031792163848877
],
[
2.092957019805908
],
[
2.096208333969116
],
[
2.095405101776123
],
[
2.092957019805908
],
[
2.1035685539245605
],
[
2.0974960327148438
],
[
2.075002431869507
],
[
2.095405101776123
],
[
1.95124351978302
],
[
1.9657354354858398
],
[
1.7563409805297852
],
[
1.981736183166504
],
[
1.8163336515426636
],
[
1.8404614925384521
],
[
1.9394264221191406
],
[
1.9639617204666138
],
[
1.8565679788589478
],
[
1.981736183166504
],
[
1.977409839630127
],
[
1.9697175025939941
],
[
2.048117160797119
],
[
1.9394264221191406
],
[
1.8820114135742188
],
[
1.8825359344482422
],
[
1.812164306640625
],
[
1.9697175025939941
],
[
2.018266201019287
],
[
2.048117160797119
],
[
2.018266201019287
],
[
2.086073398590088
],
[
2.089745044708252
],
[
1.8820114135742188
],
[
2.1096489429473877
],
[
1.877563714981079
],
[
1.8825359344482422
],
[
2.1096489429473877
],
[
1.8779866695404053
],
[
1.812164306640625
],
[
1.877563714981079
],
[
1.8779866695404053
],
[
2.085172653198242
],
[
2.0853867530822754
],
[
2.086073398590088
],
[
2.1054720878601074
],
[
2.087613344192505
],
[
2.085172653198242
],
[
2.08418607711792
],
[
2.114499092102051
],
[
2.087613344192505
],
[
2.08748722076416
],
[
2.08418607711792
],
[
2.0844430923461914
],
[
2.114499092102051
],
[
2.0844430923461914
],
[
2.0853867530822754
],
[
2.089745044708252
],
[
2.1054720878601074
],
[
2.08748722076416
],
[
1.8163336515426636
],
[
1.977409839630127
],
[
2.1678354740142822
],
[
1.8877599239349365
],
[
1.8369638919830322
],
[
1.8053762912750244
],
[
1.9639617204666138
],
[
1.817171335220337
],
[
2.159040927886963
],
[
1.9715708494186401
],
[
2.1678354740142822
],
[
2.227548360824585
],
[
1.8877599239349365
],
[
2.227548360824585
],
[
1.9438066482543945
],
[
2.226767063140869
],
[
1.894950032234192
],
[
2.159040927886963
],
[
2.152348518371582
],
[
2.1040291786193848
],
[
2.1020307540893555
],
[
1.9438066482543945
],
[
2.102313995361328
],
[
2.102489471435547
],
[
2.1040291786193848
],
[
2.0764336585998535
],
[
2.095431327819824
],
[
2.102313995361328
],
[
2.0940821170806885
],
[
2.095431327819824
],
[
2.095468044281006
],
[
2.0940821170806885
],
[
2.102489471435547
],
[
2.1020307540893555
],
[
2.0764336585998535
],
[
2.095468044281006
],
[
1.9715708494186401
],
[
2.152348518371582
],
[
2.0437872409820557
],
[
1.8053762912750244
],
[
2.226767063140869
],
[
2.1614291667938232
],
[
1.9888461828231812
],
[
1.918378233909607
],
[
1.7563409805297852
],
[
1.8565679788589478
],
[
1.817171335220337
],
[
1.894950032234192
],
[
2.1614291667938232
]
] |
[
[
0,
1,
2,
3,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
4,
12,
12,
13,
15,
16,
17,
18,
17,
19,
17,
20,
20,
21,
21,
22,
22,
23,
23,
24,
23,
25,
25,
26,
13,
27,
27,
28,
28,
29,
28,
30,
32,
33,
33,
34,
34,
35,
35,
36,
36,
37,
30,
38,
38,
39,
38,
40,
40,
4,
11,
6,
26,
20,
40,
27,
37,
32
],
[
1,
0,
3,
2,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
4,
13,
12,
16,
15,
18,
17,
19,
17,
20,
17,
21,
20,
22,
21,
23,
22,
24,
23,
25,
23,
26,
25,
27,
13,
28,
27,
29,
28,
30,
28,
33,
32,
34,
33,
35,
34,
36,
35,
37,
36,
38,
30,
39,
38,
40,
38,
4,
40,
6,
11,
20,
26,
27,
40,
32,
37
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
2,
3,
4,
4,
4,
4,
4,
4,
2,
2,
5,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
2,
2,
2,
2,
8,
9,
9,
9,
9,
9,
9,
2,
2,
2
] |
[
[
14,
63,
63,
4,
65,
5,
6,
7,
8,
9,
10,
11,
12,
64,
13,
15,
16,
17,
38,
38,
24,
24,
21,
21,
23,
23,
25,
25,
26,
67,
27,
27,
28,
29,
30,
30,
31,
34,
33,
33,
35,
35,
36,
66,
66,
37,
39,
40,
40,
69,
69,
41,
41,
44,
43,
43,
45,
45,
56,
56,
46,
71,
47,
48,
49,
50,
51,
52,
53,
54,
70,
55,
57,
60,
60,
59,
59,
62,
68,
68,
61,
61
],
[
16,
68,
61,
6,
13,
65,
8,
5,
10,
7,
12,
9,
64,
4,
11,
63,
38,
15,
40,
69,
26,
67,
22,
24,
20,
24,
20,
22,
28,
37,
25,
67,
30,
27,
32,
34,
29,
36,
31,
34,
31,
32,
66,
25,
26,
35,
17,
42,
44,
62,
61,
39,
69,
56,
41,
44,
41,
42,
58,
60,
48,
55,
71,
50,
47,
52,
49,
54,
51,
70,
46,
53,
45,
62,
68,
57,
60,
14,
39,
40,
57,
58
]
] |
[
[
1.8404614925384521
],
[
1.8369638919830322
],
[
2.0437872409820557
],
[
2.1031792163848877
],
[
2.1035685539245605
],
[
2.075002431869507
],
[
2.096208333969116
],
[
2.1031792163848877
],
[
2.092957019805908
],
[
2.096208333969116
],
[
2.095405101776123
],
[
2.092957019805908
],
[
2.1035685539245605
],
[
2.075002431869507
],
[
2.095405101776123
],
[
1.7563409805297852
],
[
1.8163336515426636
],
[
1.8404614925384521
],
[
1.9639617204666138
],
[
1.8565679788589478
],
[
2.086073398590088
],
[
2.089745044708252
],
[
2.1096489429473877
],
[
1.877563714981079
],
[
2.1096489429473877
],
[
1.8779866695404053
],
[
1.877563714981079
],
[
1.8779866695404053
],
[
2.085172653198242
],
[
2.0853867530822754
],
[
2.086073398590088
],
[
2.1054720878601074
],
[
2.087613344192505
],
[
2.085172653198242
],
[
2.08418607711792
],
[
2.114499092102051
],
[
2.087613344192505
],
[
2.08748722076416
],
[
2.08418607711792
],
[
2.0844430923461914
],
[
2.114499092102051
],
[
2.0844430923461914
],
[
2.0853867530822754
],
[
2.089745044708252
],
[
2.1054720878601074
],
[
2.08748722076416
],
[
1.8163336515426636
],
[
2.1678354740142822
],
[
1.8877599239349365
],
[
1.8369638919830322
],
[
1.8053762912750244
],
[
1.9639617204666138
],
[
1.817171335220337
],
[
1.9715708494186401
],
[
2.1678354740142822
],
[
2.227548360824585
],
[
1.8877599239349365
],
[
2.227548360824585
],
[
2.226767063140869
],
[
1.894950032234192
],
[
2.102313995361328
],
[
2.102489471435547
],
[
2.0764336585998535
],
[
2.095431327819824
],
[
2.102313995361328
],
[
2.0940821170806885
],
[
2.095431327819824
],
[
2.095468044281006
],
[
2.0940821170806885
],
[
2.102489471435547
],
[
2.0764336585998535
],
[
2.095468044281006
],
[
1.9715708494186401
],
[
2.0437872409820557
],
[
1.8053762912750244
],
[
2.226767063140869
],
[
2.1614291667938232
],
[
1.7563409805297852
],
[
1.8565679788589478
],
[
1.817171335220337
],
[
1.894950032234192
],
[
2.1614291667938232
]
] |
COC(=O)C1(Cc2ccccc2)NC(CN(C)S(=O)(=O)c2ccc(F)cc2)C2C(=O)N(Cc3ccccc3)C(=O)C21
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
10,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
18,
1,
21,
1,
17,
4,
14,
5
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
10,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
1,
18,
1,
21,
4,
17,
5,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
0,
0,
2,
45,
45,
47,
47,
3,
3,
3,
4,
5,
6,
6,
7,
8,
8,
49,
49,
9,
9,
10,
51,
51,
11,
11,
12,
13,
14,
14,
15,
18,
18,
17,
17,
19,
19,
20,
26,
26,
21,
21,
22,
23,
25,
50,
50,
27,
27,
28,
29,
29,
30,
31,
32,
32,
48,
48,
33,
34,
34,
44,
44,
44,
35,
35,
36,
37,
37,
38,
39,
40,
40,
46,
46,
46,
41,
43,
43
],
[
2,
45,
47,
4,
35,
36,
41,
42,
1,
45,
47,
6,
3,
8,
49,
5,
10,
51,
33,
34,
7,
49,
12,
27,
28,
9,
51,
14,
11,
16,
18,
13,
20,
26,
15,
18,
15,
16,
22,
50,
28,
19,
26,
24,
21,
23,
9,
10,
19,
20,
30,
50,
27,
32,
29,
48,
34,
7,
8,
31,
44,
36,
1,
2,
47,
48,
33,
38,
44,
35,
40,
37,
46,
42,
1,
2,
45,
39,
46,
41
]
] |
[
[
1.9172132015228271
],
[
1.9490957260131836
],
[
1.9541363716125488
],
[
1.9871934652328491
],
[
1.9808269739151
],
[
1.8217545747756958
],
[
1.837620496749878
],
[
1.9598585367202759
],
[
1.9172132015228271
],
[
1.935803771018982
],
[
1.9238307476043701
],
[
1.9533283710479736
],
[
1.9871934652328491
],
[
2.0012404918670654
],
[
1.89864182472229
],
[
1.9533283710479736
],
[
2.0913047790527344
],
[
2.1201252937316895
],
[
1.9045757055282593
],
[
1.9810997247695923
],
[
2.0012404918670654
],
[
1.951308250427246
],
[
2.1198043823242188
],
[
2.0936052799224854
],
[
2.103740692138672
],
[
2.0913047790527344
],
[
2.0693907737731934
],
[
2.087409019470215
],
[
2.1198043823242188
],
[
2.0884170532226562
],
[
2.116990089416504
],
[
2.087409019470215
],
[
2.0742411613464355
],
[
2.07706880569458
],
[
2.0884170532226562
],
[
2.0776913166046143
],
[
2.116990089416504
],
[
2.0776913166046143
],
[
1.9505695104599
],
[
2.0936052799224854
],
[
2.0853168964385986
],
[
2.0742411613464355
],
[
2.131625175476074
],
[
1.9413758516311646
],
[
1.9505695104599
],
[
1.9413758516311646
],
[
2.1201252937316895
],
[
2.0693907737731934
],
[
2.07706880569458
],
[
2.131625175476074
],
[
1.9982101917266846
],
[
2.103740692138672
],
[
2.0853168964385986
],
[
1.912697672843933
],
[
1.9982101917266846
],
[
1.9045757055282593
],
[
1.957268238067627
],
[
1.89864182472229
],
[
1.951308250427246
],
[
1.912697672843933
],
[
1.9808269739151
],
[
2.019637107849121
],
[
1.9490957260131836
],
[
1.935803771018982
],
[
1.7804630994796753
],
[
1.9810997247695923
],
[
1.957268238067627
],
[
1.8594142198562622
],
[
1.8217545747756958
],
[
2.019637107849121
],
[
1.8563565015792847
],
[
1.8594142198562622
],
[
1.837620496749878
],
[
1.9002978801727295
],
[
1.9541363716125488
],
[
1.9238307476043701
],
[
1.7804630994796753
],
[
1.8563565015792847
],
[
1.9598585367202759
],
[
1.9002978801727295
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
11,
12,
12,
13,
10,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
18,
1,
21,
1,
17,
4,
14,
5
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
12,
11,
13,
12,
14,
10,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
1,
18,
1,
21,
4,
17,
5,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
0,
2,
43,
43,
45,
45,
3,
3,
3,
4,
5,
6,
6,
7,
8,
8,
47,
47,
9,
9,
10,
49,
49,
11,
11,
12,
13,
14,
14,
15,
18,
17,
17,
19,
19,
24,
24,
20,
23,
48,
48,
25,
26,
27,
27,
28,
29,
30,
30,
46,
46,
31,
32,
32,
42,
42,
42,
33,
33,
34,
35,
35,
36,
37,
38,
38,
44,
44,
44,
39,
41,
41
],
[
2,
43,
45,
4,
33,
34,
39,
40,
1,
43,
45,
6,
3,
8,
47,
5,
10,
49,
31,
32,
7,
47,
12,
25,
26,
9,
49,
14,
11,
16,
18,
13,
24,
15,
18,
15,
16,
48,
26,
22,
21,
9,
10,
19,
28,
48,
25,
30,
27,
46,
32,
7,
8,
29,
42,
34,
1,
2,
45,
46,
31,
36,
42,
33,
38,
35,
44,
40,
1,
2,
43,
37,
44,
39
]
] |
[
[
1.9172132015228271
],
[
1.9490957260131836
],
[
1.9541363716125488
],
[
1.9871934652328491
],
[
1.9808269739151
],
[
1.8217545747756958
],
[
1.837620496749878
],
[
1.9598585367202759
],
[
1.9172132015228271
],
[
1.935803771018982
],
[
1.9238307476043701
],
[
1.9533283710479736
],
[
1.9871934652328491
],
[
2.0012404918670654
],
[
1.89864182472229
],
[
1.9533283710479736
],
[
2.0913047790527344
],
[
2.1201252937316895
],
[
1.9045757055282593
],
[
1.9810997247695923
],
[
2.0012404918670654
],
[
1.951308250427246
],
[
2.1198043823242188
],
[
2.0936052799224854
],
[
2.103740692138672
],
[
2.0913047790527344
],
[
2.0693907737731934
],
[
2.087409019470215
],
[
2.1198043823242188
],
[
2.0884170532226562
],
[
2.116990089416504
],
[
2.087409019470215
],
[
2.07706880569458
],
[
2.0884170532226562
],
[
2.0776913166046143
],
[
2.116990089416504
],
[
2.0776913166046143
],
[
2.0936052799224854
],
[
2.0853168964385986
],
[
1.9413758516311646
],
[
1.9413758516311646
],
[
2.1201252937316895
],
[
2.0693907737731934
],
[
2.07706880569458
],
[
1.9982101917266846
],
[
2.103740692138672
],
[
2.0853168964385986
],
[
1.912697672843933
],
[
1.9982101917266846
],
[
1.9045757055282593
],
[
1.957268238067627
],
[
1.89864182472229
],
[
1.951308250427246
],
[
1.912697672843933
],
[
1.9808269739151
],
[
2.019637107849121
],
[
1.9490957260131836
],
[
1.935803771018982
],
[
1.7804630994796753
],
[
1.9810997247695923
],
[
1.957268238067627
],
[
1.8594142198562622
],
[
1.8217545747756958
],
[
2.019637107849121
],
[
1.8563565015792847
],
[
1.8594142198562622
],
[
1.837620496749878
],
[
1.9002978801727295
],
[
1.9541363716125488
],
[
1.9238307476043701
],
[
1.7804630994796753
],
[
1.8563565015792847
],
[
1.9598585367202759
],
[
1.9002978801727295
]
] |
CC12CCC3c4ccc(O)c(CCN)c4CCC3C1CCC2O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
1,
17,
17,
18,
18,
19,
18,
20,
12,
7,
14,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
17,
1,
18,
17,
19,
18,
20,
18,
7,
12,
9,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
0,
2,
32,
3,
3,
4,
5,
6,
7,
8,
8,
9,
12,
12,
11,
11,
13,
13,
14,
41,
41,
41,
15,
15,
16,
16,
17,
18,
43,
43,
43,
19,
19,
20,
21,
22,
22,
22,
40,
40,
23,
26,
26,
26,
25,
25,
25,
42,
42,
27,
27,
27,
29,
29,
29,
31,
31,
31,
33,
33,
34,
34,
35,
37,
37,
39,
39
],
[
2,
32,
4,
34,
1,
32,
6,
3,
8,
5,
10,
12,
7,
14,
41,
9,
12,
9,
10,
16,
23,
24,
26,
13,
41,
18,
43,
15,
20,
27,
28,
30,
17,
43,
22,
19,
40,
24,
26,
13,
14,
21,
42,
28,
30,
40,
23,
26,
17,
18,
40,
23,
24,
42,
27,
30,
42,
27,
28,
1,
2,
36,
38,
33,
35,
38,
35,
36
]
] |
[
[
2.050440788269043
],
[
2.063455581665039
],
[
2.205073118209839
],
[
2.2399020195007324
],
[
2.050440788269043
],
[
2.169264793395996
],
[
2.135815143585205
],
[
2.205073118209839
],
[
2.2214608192443848
],
[
2.135815143585205
],
[
2.1808042526245117
],
[
2.100524425506592
],
[
2.2214608192443848
],
[
2.2024757862091064
],
[
2.224040985107422
],
[
2.1808042526245117
],
[
2.0018293857574463
],
[
2.100524425506592
],
[
2.0018293857574463
],
[
1.879071831703186
],
[
1.834136724472046
],
[
2.0647709369659424
],
[
1.7415926456451416
],
[
2.2024757862091064
],
[
1.8566197156906128
],
[
1.8407843112945557
],
[
1.7513830661773682
],
[
1.879071831703186
],
[
1.7927830219268799
],
[
1.6044589281082153
],
[
1.987523078918457
],
[
1.989916443824768
],
[
1.8407843112945557
],
[
1.8026732206344604
],
[
1.7943190336227417
],
[
1.7927830219268799
],
[
1.834136724472046
],
[
2.0004355907440186
],
[
1.7822741270065308
],
[
2.224040985107422
],
[
1.8566197156906128
],
[
1.7943190336227417
],
[
1.6044589281082153
],
[
2.0230119228363037
],
[
2.0102362632751465
],
[
2.0647709369659424
],
[
2.0004355907440186
],
[
2.002013921737671
],
[
1.7513830661773682
],
[
1.8026732206344604
],
[
1.7415926456451416
],
[
1.7822741270065308
],
[
2.002013921737671
],
[
1.987523078918457
],
[
2.0230119228363037
],
[
1.848628282546997
],
[
1.989916443824768
],
[
2.0102362632751465
],
[
1.848628282546997
],
[
2.063455581665039
],
[
2.169264793395996
],
[
2.257936477661133
],
[
1.9080965518951416
],
[
2.2399020195007324
],
[
2.257936477661133
],
[
2.1171255111694336
],
[
1.9080965518951416
],
[
2.1171255111694336
]
] |
[
[
0,
1,
1,
2,
3,
4,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
14,
16,
17,
18,
18,
19,
18,
20,
12,
7,
14,
9
],
[
1,
0,
2,
1,
4,
3,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
14,
18,
17,
19,
18,
20,
18,
7,
12,
9,
14
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
1,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
3,
3,
3,
3
] |
[
[
0,
3,
8,
8,
7,
9,
10,
35,
35,
35,
11,
11,
12,
12,
13,
14,
37,
37,
37,
15,
15,
16,
17,
18,
18,
18,
34,
34,
19,
22,
22,
22,
21,
21,
21,
36,
36,
23,
23,
23,
25,
25,
25,
27,
27,
27,
28,
28,
31,
31,
33,
33
],
[
2,
1,
10,
35,
8,
6,
12,
19,
20,
22,
9,
35,
14,
37,
11,
16,
23,
24,
26,
13,
37,
18,
15,
34,
20,
22,
9,
10,
17,
36,
24,
26,
34,
19,
22,
13,
14,
34,
19,
20,
36,
23,
26,
36,
23,
24,
30,
32,
29,
32,
29,
30
]
] |
[
[
2.050440788269043
],
[
2.050440788269043
],
[
2.2024757862091064
],
[
2.224040985107422
],
[
2.0018293857574463
],
[
2.0018293857574463
],
[
1.879071831703186
],
[
1.834136724472046
],
[
2.0647709369659424
],
[
1.7415926456451416
],
[
2.2024757862091064
],
[
1.8566197156906128
],
[
1.8407843112945557
],
[
1.7513830661773682
],
[
1.879071831703186
],
[
1.7927830219268799
],
[
1.6044589281082153
],
[
1.987523078918457
],
[
1.989916443824768
],
[
1.8407843112945557
],
[
1.8026732206344604
],
[
1.7943190336227417
],
[
1.7927830219268799
],
[
1.834136724472046
],
[
2.0004355907440186
],
[
1.7822741270065308
],
[
2.224040985107422
],
[
1.8566197156906128
],
[
1.7943190336227417
],
[
1.6044589281082153
],
[
2.0230119228363037
],
[
2.0102362632751465
],
[
2.0647709369659424
],
[
2.0004355907440186
],
[
2.002013921737671
],
[
1.7513830661773682
],
[
1.8026732206344604
],
[
1.7415926456451416
],
[
1.7822741270065308
],
[
2.002013921737671
],
[
1.987523078918457
],
[
2.0230119228363037
],
[
1.848628282546997
],
[
1.989916443824768
],
[
2.0102362632751465
],
[
1.848628282546997
],
[
2.257936477661133
],
[
1.9080965518951416
],
[
2.257936477661133
],
[
2.1171255111694336
],
[
1.9080965518951416
],
[
2.1171255111694336
]
] |
CC(C=CC=C(C)C1=CC2CCC1(C)C2(C)C)=CC(=O)O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
2,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
19,
20,
19,
21,
21,
22,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
16,
28,
28,
29,
28,
30,
30,
31,
14,
32,
32,
33,
32,
2,
10,
5,
30,
14,
27,
22
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
2,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
19,
21,
19,
22,
21,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
16,
29,
28,
30,
28,
31,
30,
32,
14,
33,
32,
2,
32,
5,
10,
14,
30,
22,
27
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
2,
2,
2,
3,
4,
4,
20,
67,
67,
5,
5,
5,
8,
8,
7,
7,
9,
9,
10,
69,
11,
11,
12,
13,
14,
15,
16,
17,
18,
68,
68,
19,
21,
21,
21,
22,
22,
23,
26,
26,
26,
25,
25,
27,
27,
28,
71,
71,
62,
62,
29,
29,
29,
30,
30,
31,
32,
32,
54,
54,
33,
33,
36,
36,
35,
35,
37,
37,
40,
39,
39,
41,
41,
42,
42,
43,
44,
73,
45,
45,
46,
47,
48,
49,
50,
51,
52,
72,
72,
53,
55,
55,
58,
58,
57,
57,
70,
70,
70,
59,
59,
61,
61,
66,
66,
66,
63,
63,
63,
65,
65
],
[
2,
4,
20,
67,
1,
6,
8,
22,
63,
64,
3,
20,
67,
10,
69,
5,
8,
5,
6,
12,
19,
9,
69,
14,
11,
16,
13,
18,
15,
68,
9,
10,
17,
3,
4,
67,
24,
26,
21,
28,
71,
62,
23,
26,
23,
24,
30,
59,
60,
66,
64,
27,
71,
62,
32,
54,
29,
34,
36,
56,
58,
31,
54,
38,
40,
33,
36,
33,
34,
42,
37,
40,
37,
38,
44,
73,
41,
46,
53,
43,
73,
48,
45,
50,
47,
52,
49,
72,
43,
44,
51,
31,
32,
70,
60,
55,
58,
27,
28,
62,
55,
56,
70,
59,
3,
4,
20,
27,
28,
71,
66,
63
]
] |
[
[
2.03684663772583
],
[
2.002415180206299
],
[
1.771580457687378
],
[
1.956427812576294
],
[
2.03684663772583
],
[
2.1027820110321045
],
[
2.1424155235290527
],
[
1.9847773313522339
],
[
1.831072211265564
],
[
1.9425148963928223
],
[
2.002415180206299
],
[
1.8250515460968018
],
[
2.0764403343200684
],
[
2.0429234504699707
],
[
2.164299964904785
],
[
2.1027820110321045
],
[
2.0373952388763428
],
[
2.1424155235290527
],
[
2.0373952388763428
],
[
2.1067328453063965
],
[
2.0992558002471924
],
[
2.0429234504699707
],
[
2.075178623199463
],
[
2.0931081771850586
],
[
2.1067328453063965
],
[
2.0921401977539062
],
[
2.0931081771850586
],
[
2.0995962619781494
],
[
2.0921401977539062
],
[
2.0992558002471924
],
[
2.164299964904785
],
[
2.075178623199463
],
[
2.0995962619781494
],
[
1.771580457687378
],
[
1.8250515460968018
],
[
1.7809600830078125
],
[
2.169826030731201
],
[
1.8967235088348389
],
[
1.9847773313522339
],
[
1.9808379411697388
],
[
1.9659209251403809
],
[
1.814002275466919
],
[
2.169826030731201
],
[
2.216596841812134
],
[
1.8967235088348389
],
[
2.216596841812134
],
[
1.8710815906524658
],
[
1.9314594268798828
],
[
2.189389705657959
],
[
1.831072211265564
],
[
1.943703293800354
],
[
1.9808379411697388
],
[
1.797614574432373
],
[
1.9651179313659668
],
[
1.9864671230316162
],
[
2.0361645221710205
],
[
1.8710815906524658
],
[
1.9356306791305542
],
[
1.9504659175872803
],
[
2.3527793884277344
],
[
1.7881096601486206
],
[
1.9864671230316162
],
[
2.260072708129883
],
[
1.8913278579711914
],
[
1.9565057754516602
],
[
1.9356306791305542
],
[
1.9115102291107178
],
[
1.9504659175872803
],
[
1.9115102291107178
],
[
2.2405002117156982
],
[
1.8913278579711914
],
[
1.8507421016693115
],
[
1.9565057754516602
],
[
1.8507421016693115
],
[
2.1066203117370605
],
[
2.1985764503479004
],
[
2.2405002117156982
],
[
1.9356234073638916
],
[
1.9342011213302612
],
[
2.1066203117370605
],
[
1.977957844734192
],
[
1.9501395225524902
],
[
1.9356234073638916
],
[
1.9462884664535522
],
[
1.9501395225524902
],
[
1.9520416259765625
],
[
1.9462884664535522
],
[
1.9342011213302612
],
[
2.1985764503479004
],
[
1.977957844734192
],
[
1.9520416259765625
],
[
2.0361645221710205
],
[
2.260072708129883
],
[
1.9314594268798828
],
[
2.161715507507324
],
[
2.3527793884277344
],
[
2.141627073287964
],
[
1.9659209251403809
],
[
1.797614574432373
],
[
1.945517659187317
],
[
1.7881096601486206
],
[
2.141627073287964
],
[
2.189389705657959
],
[
2.161715507507324
],
[
1.956427812576294
],
[
2.0764403343200684
],
[
1.7809600830078125
],
[
1.814002275466919
],
[
1.9651179313659668
],
[
1.945517659187317
],
[
1.9425148963928223
],
[
1.943703293800354
]
] |
[
[
0,
1,
3,
4,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
2,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
17,
19,
19,
20,
19,
21,
22,
23,
23,
24,
24,
25,
25,
26,
26,
27,
16,
28,
28,
29,
28,
30,
30,
31,
14,
32,
32,
33,
32,
2,
10,
5,
30,
14,
27,
22
],
[
1,
0,
4,
3,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
2,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
17,
20,
19,
21,
19,
23,
22,
24,
23,
25,
24,
26,
25,
27,
26,
28,
16,
29,
28,
30,
28,
31,
30,
32,
14,
33,
32,
2,
32,
5,
10,
14,
30,
22,
27
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
3,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
4,
4,
4,
4,
4,
4,
1,
1,
1,
1,
1,
1
] |
[
[
14,
59,
59,
4,
61,
5,
6,
7,
8,
9,
10,
11,
12,
60,
13,
15,
16,
16,
17,
20,
20,
20,
19,
19,
21,
21,
22,
63,
63,
54,
54,
23,
23,
23,
24,
24,
25,
26,
26,
46,
46,
27,
27,
30,
30,
29,
29,
31,
31,
33,
33,
35,
35,
36,
65,
37,
38,
39,
40,
41,
42,
43,
44,
64,
45,
47,
47,
50,
50,
49,
49,
62,
62,
62,
51,
51,
53,
53,
58,
55,
55,
55,
57,
57
],
[
16,
55,
56,
6,
13,
61,
8,
5,
10,
7,
12,
9,
60,
4,
11,
59,
18,
20,
15,
22,
63,
54,
17,
20,
17,
18,
24,
51,
52,
58,
56,
21,
63,
54,
26,
46,
23,
28,
30,
48,
50,
25,
46,
32,
34,
27,
30,
27,
28,
31,
34,
31,
32,
38,
45,
65,
40,
37,
42,
39,
44,
41,
64,
36,
43,
25,
26,
62,
52,
47,
50,
21,
22,
54,
47,
48,
62,
51,
14,
21,
22,
63,
58,
55
]
] |
[
[
1.9847773313522339
],
[
1.831072211265564
],
[
1.9425148963928223
],
[
2.1067328453063965
],
[
2.0992558002471924
],
[
2.075178623199463
],
[
2.0931081771850586
],
[
2.1067328453063965
],
[
2.0921401977539062
],
[
2.0931081771850586
],
[
2.0995962619781494
],
[
2.0921401977539062
],
[
2.0992558002471924
],
[
2.075178623199463
],
[
2.0995962619781494
],
[
1.7809600830078125
],
[
2.169826030731201
],
[
1.8967235088348389
],
[
1.9847773313522339
],
[
1.9808379411697388
],
[
1.9659209251403809
],
[
1.814002275466919
],
[
2.169826030731201
],
[
2.216596841812134
],
[
1.8967235088348389
],
[
2.216596841812134
],
[
1.8710815906524658
],
[
1.9314594268798828
],
[
2.189389705657959
],
[
1.831072211265564
],
[
1.943703293800354
],
[
1.9808379411697388
],
[
1.797614574432373
],
[
1.9651179313659668
],
[
1.9864671230316162
],
[
2.0361645221710205
],
[
1.8710815906524658
],
[
1.9356306791305542
],
[
1.9504659175872803
],
[
2.3527793884277344
],
[
1.7881096601486206
],
[
1.9864671230316162
],
[
2.260072708129883
],
[
1.8913278579711914
],
[
1.9565057754516602
],
[
1.9356306791305542
],
[
1.9115102291107178
],
[
1.9504659175872803
],
[
1.9115102291107178
],
[
1.8913278579711914
],
[
1.8507421016693115
],
[
1.9565057754516602
],
[
1.8507421016693115
],
[
1.9356234073638916
],
[
1.9342011213302612
],
[
1.977957844734192
],
[
1.9501395225524902
],
[
1.9356234073638916
],
[
1.9462884664535522
],
[
1.9501395225524902
],
[
1.9520416259765625
],
[
1.9462884664535522
],
[
1.9342011213302612
],
[
1.977957844734192
],
[
1.9520416259765625
],
[
2.0361645221710205
],
[
2.260072708129883
],
[
1.9314594268798828
],
[
2.161715507507324
],
[
2.3527793884277344
],
[
2.141627073287964
],
[
1.9659209251403809
],
[
1.797614574432373
],
[
1.945517659187317
],
[
1.7881096601486206
],
[
2.141627073287964
],
[
2.189389705657959
],
[
2.161715507507324
],
[
1.7809600830078125
],
[
1.814002275466919
],
[
1.9651179313659668
],
[
1.945517659187317
],
[
1.9425148963928223
],
[
1.943703293800354
]
] |
COC1(C(=O)c2ccccc2)NC(=O)C2(OC(C(O)C(O)C=C3CCCCC3)=C(C)C2=O)C1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
1,
13,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
1,
13,
7,
13
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
27,
27,
3,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
12,
12,
11,
11,
13,
13,
14,
29,
29,
15,
15,
16,
16,
17,
20,
19,
19,
21,
21,
22,
23,
24,
24,
26,
26,
28,
28,
25
],
[
2,
27,
4,
28,
25,
1,
27,
6,
8,
3,
10,
12,
5,
8,
5,
6,
14,
29,
9,
12,
9,
10,
16,
26,
25,
13,
29,
18,
20,
15,
22,
17,
20,
17,
18,
24,
21,
26,
28,
1,
2,
13,
14,
23
]
] |
[
[
2.1199004650115967
],
[
2.1154861450195312
],
[
2.147627830505371
],
[
2.102494239807129
],
[
2.108895778656006
],
[
2.1199004650115967
],
[
2.0477731227874756
],
[
2.165055990219116
],
[
2.0816781520843506
],
[
2.147627830505371
],
[
2.1102519035339355
],
[
2.0569794178009033
],
[
2.165055990219116
],
[
2.0363683700561523
],
[
2.0816781520843506
],
[
2.0363683700561523
],
[
2.0500614643096924
],
[
2.128347396850586
],
[
2.1102519035339355
],
[
2.1157588958740234
],
[
2.0569794178009033
],
[
2.1157588958740234
],
[
2.1676971912384033
],
[
2.102494239807129
],
[
2.071767568588257
],
[
2.0500614643096924
],
[
2.104708671569824
],
[
2.150841236114502
],
[
2.016577959060669
],
[
2.1676971912384033
],
[
2.09031343460083
],
[
2.150841236114502
],
[
2.1157398223876953
],
[
2.016577959060669
],
[
2.1157398223876953
],
[
2.1152453422546387
],
[
2.09031343460083
],
[
2.108895778656006
],
[
2.071767568588257
],
[
2.1154861450195312
],
[
2.0477731227874756
],
[
2.128347396850586
],
[
2.104708671569824
],
[
2.1152453422546387
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
3,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
9,
11,
11,
12,
12,
13,
13,
1,
13,
7
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
3,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
9,
12,
11,
13,
12,
1,
13,
7,
13
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
27,
27,
3,
3,
4,
4,
5,
8,
8,
7,
7,
9,
9,
12,
12,
11,
11,
13,
13,
14,
29,
29,
15,
15,
16,
16,
17,
20,
19,
19,
21,
21,
22,
23,
24,
24,
26,
26,
28,
28,
25
],
[
2,
27,
4,
28,
25,
1,
27,
6,
8,
3,
10,
12,
5,
8,
5,
6,
14,
29,
9,
12,
9,
10,
16,
26,
25,
13,
29,
18,
20,
15,
22,
17,
20,
17,
18,
24,
21,
26,
28,
1,
2,
13,
14,
23
]
] |
[
[
2.1199004650115967
],
[
2.1154861450195312
],
[
2.147627830505371
],
[
2.102494239807129
],
[
2.108895778656006
],
[
2.1199004650115967
],
[
2.0477731227874756
],
[
2.165055990219116
],
[
2.0816781520843506
],
[
2.147627830505371
],
[
2.1102519035339355
],
[
2.0569794178009033
],
[
2.165055990219116
],
[
2.0363683700561523
],
[
2.0816781520843506
],
[
2.0363683700561523
],
[
2.0500614643096924
],
[
2.128347396850586
],
[
2.1102519035339355
],
[
2.1157588958740234
],
[
2.0569794178009033
],
[
2.1157588958740234
],
[
2.1676971912384033
],
[
2.102494239807129
],
[
2.071767568588257
],
[
2.0500614643096924
],
[
2.104708671569824
],
[
2.150841236114502
],
[
2.016577959060669
],
[
2.1676971912384033
],
[
2.09031343460083
],
[
2.150841236114502
],
[
2.1157398223876953
],
[
2.016577959060669
],
[
2.1157398223876953
],
[
2.1152453422546387
],
[
2.09031343460083
],
[
2.108895778656006
],
[
2.071767568588257
],
[
2.1154861450195312
],
[
2.0477731227874756
],
[
2.128347396850586
],
[
2.104708671569824
],
[
2.1152453422546387
]
] |
N=C1C=C(N)C(=O)c2[nH]c(=O)ccc21
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
22,
23,
22,
24,
24,
25,
25,
26,
26,
27,
26,
28,
28,
29,
29,
30,
30,
31,
30,
32,
7,
1,
17,
10,
11,
1,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
22,
24,
22,
25,
24,
26,
25,
27,
26,
28,
26,
29,
28,
30,
29,
31,
30,
32,
30,
1,
7,
10,
17,
1,
11,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
0,
0,
2,
65,
65,
69,
69,
3,
3,
3,
4,
5,
6,
6,
7,
10,
9,
9,
11,
11,
12,
12,
64,
64,
64,
13,
14,
15,
15,
16,
17,
18,
18,
19,
20,
20,
67,
67,
68,
68,
68,
21,
21,
22,
22,
23,
23,
26,
25,
25,
27,
27,
28,
28,
28,
29,
32,
32,
71,
71,
71,
31,
31,
31,
66,
66,
33,
33,
33,
34,
35,
35,
36,
37,
38,
38,
38,
70,
70,
70,
39,
42,
42,
41,
41,
41,
43,
43,
43,
46,
45,
45,
47,
47,
48,
49,
50,
50,
51,
54,
53,
53,
55,
55,
56,
57,
58,
58,
59,
61,
61,
63,
63
],
[
2,
65,
69,
4,
13,
14,
21,
22,
1,
65,
69,
6,
3,
8,
10,
5,
12,
7,
10,
7,
8,
64,
14,
1,
2,
69,
11,
16,
64,
13,
18,
15,
20,
67,
17,
68,
22,
33,
34,
1,
2,
65,
19,
67,
24,
26,
68,
21,
28,
23,
26,
23,
24,
30,
32,
71,
27,
66,
34,
39,
40,
42,
29,
32,
71,
19,
20,
29,
30,
71,
36,
66,
33,
38,
35,
70,
40,
42,
29,
30,
32,
37,
44,
46,
70,
39,
42,
70,
39,
40,
48,
43,
46,
43,
44,
50,
47,
52,
54,
49,
56,
51,
54,
51,
52,
58,
55,
60,
62,
57,
59,
62,
59,
60
]
] |
[
[
1.856549620628357
],
[
1.90122652053833
],
[
1.9483753442764282
],
[
2.193206310272217
],
[
2.1611900329589844
],
[
2.0347814559936523
],
[
1.9729045629501343
],
[
1.987014651298523
],
[
1.856549620628357
],
[
1.9248924255371094
],
[
1.9441306591033936
],
[
2.1113524436950684
],
[
2.193206310272217
],
[
2.1216673851013184
],
[
2.042120933532715
],
[
2.1113524436950684
],
[
2.131352424621582
],
[
2.1216673851013184
],
[
2.1193017959594727
],
[
2.042120933532715
],
[
2.1193017959594727
],
[
2.1611900329589844
],
[
2.0862808227539062
],
[
1.90122652053833
],
[
1.9248924255371094
],
[
1.88850736618042
],
[
2.131352424621582
],
[
1.919006586074829
],
[
2.0347814559936523
],
[
2.0862808227539062
],
[
1.9429688453674316
],
[
1.919006586074829
],
[
1.938158392906189
],
[
1.9454560279846191
],
[
1.9429688453674316
],
[
1.9729045629501343
],
[
1.90329110622406
],
[
1.9776891469955444
],
[
1.9792406558990479
],
[
1.9483753442764282
],
[
1.9441306591033936
],
[
1.88850736618042
],
[
1.938158392906189
],
[
1.920576572418213
],
[
2.140813112258911
],
[
2.053515911102295
],
[
1.987014651298523
],
[
1.90329110622406
],
[
1.9367070198059082
],
[
2.140813112258911
],
[
2.088749885559082
],
[
2.053515911102295
],
[
2.088749885559082
],
[
1.8997379541397095
],
[
1.948693037033081
],
[
1.96495521068573
],
[
1.9367070198059082
],
[
1.9776891469955444
],
[
1.8521019220352173
],
[
1.8061989545822144
],
[
1.9125934839248657
],
[
2.0029690265655518
],
[
1.8997379541397095
],
[
1.885630488395691
],
[
1.9467949867248535
],
[
1.9454560279846191
],
[
1.920576572418213
],
[
1.948693037033081
],
[
1.885630488395691
],
[
1.8159446716308594
],
[
1.8334102630615234
],
[
1.9792406558990479
],
[
1.8521019220352173
],
[
1.7940000295639038
],
[
1.8334102630615234
],
[
1.8061989545822144
],
[
1.8576886653900146
],
[
2.028535842895508
],
[
1.96495521068573
],
[
1.9467949867248535
],
[
1.8159446716308594
],
[
1.7940000295639038
],
[
2.073291778564453
],
[
2.0801773071289062
],
[
1.9125934839248657
],
[
1.8576886653900146
],
[
1.8502779006958008
],
[
2.0029690265655518
],
[
2.028535842895508
],
[
1.8502779006958008
],
[
1.9595723152160645
],
[
2.073291778564453
],
[
2.1295228004455566
],
[
2.0801773071289062
],
[
2.1295228004455566
],
[
1.9836437702178955
],
[
1.9595723152160645
],
[
2.1713473796844482
],
[
1.9583185911178589
],
[
1.9836437702178955
],
[
2.003765106201172
],
[
2.1713473796844482
],
[
2.1517534255981445
],
[
1.9583185911178589
],
[
2.1517534255981445
],
[
1.9484012126922607
],
[
2.003765106201172
],
[
2.216521739959717
],
[
1.9596867561340332
],
[
1.9484012126922607
],
[
2.216521739959717
],
[
2.1066479682922363
],
[
1.9596867561340332
],
[
2.1066479682922363
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
12,
14,
14,
15,
15,
16,
15,
17,
17,
18,
18,
19,
19,
20,
20,
21,
22,
23,
22,
24,
26,
27,
26,
28,
28,
29,
29,
30,
30,
31,
30,
32,
7,
1,
17,
10,
11,
1,
20,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
12,
15,
14,
16,
15,
17,
15,
18,
17,
19,
18,
20,
19,
21,
20,
23,
22,
24,
22,
27,
26,
28,
26,
29,
28,
30,
29,
31,
30,
32,
30,
1,
7,
10,
17,
1,
11,
15,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
1,
1,
2,
3,
3,
3,
3,
3,
3,
3
] |
[
[
0,
0,
0,
2,
59,
59,
63,
63,
3,
3,
3,
4,
5,
6,
6,
7,
10,
9,
9,
11,
11,
12,
12,
58,
58,
58,
13,
14,
15,
15,
16,
17,
18,
18,
19,
20,
20,
61,
61,
62,
62,
62,
21,
21,
22,
22,
23,
23,
26,
25,
25,
27,
27,
28,
28,
28,
29,
32,
32,
65,
65,
31,
31,
31,
60,
60,
33,
33,
33,
34,
35,
35,
36,
37,
38,
38,
64,
64,
64,
39,
41,
41,
43,
45,
48,
47,
49,
50,
51,
52,
52,
53,
55,
55,
57,
57
],
[
2,
59,
63,
4,
13,
14,
21,
22,
1,
59,
63,
6,
3,
8,
10,
5,
12,
7,
10,
7,
8,
58,
14,
1,
2,
63,
11,
16,
58,
13,
18,
15,
20,
61,
17,
62,
22,
33,
34,
1,
2,
59,
19,
61,
24,
26,
62,
21,
28,
23,
26,
23,
24,
30,
32,
65,
27,
60,
34,
39,
40,
29,
32,
65,
19,
20,
29,
30,
65,
36,
60,
33,
38,
35,
64,
40,
29,
30,
32,
37,
64,
39,
44,
42,
50,
48,
46,
52,
49,
54,
56,
51,
53,
56,
53,
54
]
] |
[
[
1.856549620628357
],
[
1.90122652053833
],
[
1.9483753442764282
],
[
2.193206310272217
],
[
2.1611900329589844
],
[
2.0347814559936523
],
[
1.9729045629501343
],
[
1.987014651298523
],
[
1.856549620628357
],
[
1.9248924255371094
],
[
1.9441306591033936
],
[
2.1113524436950684
],
[
2.193206310272217
],
[
2.1216673851013184
],
[
2.042120933532715
],
[
2.1113524436950684
],
[
2.131352424621582
],
[
2.1216673851013184
],
[
2.1193017959594727
],
[
2.042120933532715
],
[
2.1193017959594727
],
[
2.1611900329589844
],
[
2.0862808227539062
],
[
1.90122652053833
],
[
1.9248924255371094
],
[
1.88850736618042
],
[
2.131352424621582
],
[
1.919006586074829
],
[
2.0347814559936523
],
[
2.0862808227539062
],
[
1.9429688453674316
],
[
1.919006586074829
],
[
1.938158392906189
],
[
1.9454560279846191
],
[
1.9429688453674316
],
[
1.9729045629501343
],
[
1.90329110622406
],
[
1.9776891469955444
],
[
1.9792406558990479
],
[
1.9483753442764282
],
[
1.9441306591033936
],
[
1.88850736618042
],
[
1.938158392906189
],
[
1.920576572418213
],
[
2.140813112258911
],
[
2.053515911102295
],
[
1.987014651298523
],
[
1.90329110622406
],
[
1.9367070198059082
],
[
2.140813112258911
],
[
2.088749885559082
],
[
2.053515911102295
],
[
2.088749885559082
],
[
1.8997379541397095
],
[
1.948693037033081
],
[
1.96495521068573
],
[
1.9367070198059082
],
[
1.9776891469955444
],
[
1.8521019220352173
],
[
1.8061989545822144
],
[
1.9125934839248657
],
[
1.8997379541397095
],
[
1.885630488395691
],
[
1.9467949867248535
],
[
1.9454560279846191
],
[
1.920576572418213
],
[
1.948693037033081
],
[
1.885630488395691
],
[
1.8159446716308594
],
[
1.8334102630615234
],
[
1.9792406558990479
],
[
1.8521019220352173
],
[
1.7940000295639038
],
[
1.8334102630615234
],
[
1.8061989545822144
],
[
1.8576886653900146
],
[
1.96495521068573
],
[
1.9467949867248535
],
[
1.8159446716308594
],
[
1.7940000295639038
],
[
1.9125934839248657
],
[
1.8576886653900146
],
[
2.1295228004455566
],
[
2.1295228004455566
],
[
2.003765106201172
],
[
2.1517534255981445
],
[
2.1517534255981445
],
[
1.9484012126922607
],
[
2.003765106201172
],
[
2.216521739959717
],
[
1.9596867561340332
],
[
1.9484012126922607
],
[
2.216521739959717
],
[
2.1066479682922363
],
[
1.9596867561340332
],
[
2.1066479682922363
]
] |
CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
11,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
8,
25,
25,
26,
26,
27,
27,
28,
27,
29,
29,
30,
30,
31,
31,
32,
6,
33,
33,
34,
33,
35,
35,
36,
35,
4,
32,
7,
24,
16,
32,
26,
24,
19
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
8,
26,
25,
27,
26,
28,
27,
29,
27,
30,
29,
31,
30,
32,
31,
33,
6,
34,
33,
35,
33,
36,
35,
4,
35,
7,
32,
16,
24,
26,
32,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
6,
0,
1,
4,
0,
0,
1,
0,
0
],
[
6,
0,
2,
6,
0,
0,
0,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
2,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
1,
0,
2,
0,
0
]
] |
[
[
0,
2,
3,
4,
5,
6,
6,
7,
8,
73,
73,
9,
9,
10,
10,
11,
12,
12,
64,
64,
13,
13,
14,
14,
75,
75,
15,
15,
16,
48,
17,
17,
18,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
27,
28,
29,
30,
30,
31,
32,
77,
77,
33,
33,
34,
35,
36,
36,
37,
38,
81,
81,
39,
39,
40,
41,
42,
43,
44,
45,
46,
46,
76,
76,
80,
80,
47,
49,
49,
50,
50,
51,
52,
52,
79,
79,
53,
53,
56,
55,
55,
57,
57,
58,
59,
60,
61,
62,
62,
74,
74,
78,
78,
63,
65,
65,
68,
68,
67,
67,
72,
72,
69,
69,
71,
71
],
[
2,
4,
1,
6,
3,
8,
73,
5,
10,
69,
70,
7,
73,
12,
64,
9,
14,
75,
66,
68,
11,
64,
16,
48,
78,
63,
13,
75,
18,
50,
15,
48,
20,
17,
22,
24,
19,
26,
21,
24,
21,
22,
28,
25,
30,
27,
32,
77,
29,
34,
80,
47,
31,
77,
36,
33,
38,
81,
35,
40,
76,
47,
37,
81,
42,
39,
44,
41,
46,
43,
76,
80,
31,
32,
37,
38,
45,
15,
16,
52,
79,
49,
54,
56,
74,
63,
51,
79,
58,
53,
56,
53,
54,
60,
57,
62,
59,
74,
78,
13,
14,
51,
52,
61,
11,
12,
72,
70,
65,
68,
7,
8,
65,
66,
72,
69
]
] |
[
[
3.128878593444824
],
[
2.016113519668579
],
[
3.128878593444824
],
[
1.9461749792099
],
[
2.016113519668579
],
[
1.9285744428634644
],
[
2.0416314601898193
],
[
1.9461749792099
],
[
1.8719407320022583
],
[
1.7580289840698242
],
[
1.997755765914917
],
[
1.9285744428634644
],
[
1.860115885734558
],
[
1.9330570697784424
],
[
1.8747717142105103
],
[
1.8719407320022583
],
[
2.273932695388794
],
[
2.1477434635162354
],
[
1.983119010925293
],
[
1.7561438083648682
],
[
1.9330570697784424
],
[
1.9980130195617676
],
[
2.171842098236084
],
[
1.964619755744934
],
[
1.8401470184326172
],
[
2.2319650650024414
],
[
2.273932695388794
],
[
1.8578596115112305
],
[
1.7577745914459229
],
[
1.8288780450820923
],
[
2.171842098236084
],
[
2.145070791244507
],
[
1.9257352352142334
],
[
1.7577745914459229
],
[
2.131256580352783
],
[
1.9988551139831543
],
[
1.9257352352142334
],
[
2.155977487564087
],
[
2.131256580352783
],
[
2.1529617309570312
],
[
1.9988551139831543
],
[
2.1529617309570312
],
[
1.9563148021697998
],
[
2.155977487564087
],
[
1.9530307054519653
],
[
1.9563148021697998
],
[
2.207335948944092
],
[
2.21026349067688
],
[
1.9530307054519653
],
[
1.888677954673767
],
[
1.8748812675476074
],
[
2.3394899368286133
],
[
2.207335948944092
],
[
1.8645598888397217
],
[
1.9269381761550903
],
[
1.888677954673767
],
[
2.270754098892212
],
[
1.8695528507232666
],
[
1.9269381761550903
],
[
2.0517842769622803
],
[
1.8748812675476074
],
[
2.068654775619507
],
[
2.270754098892212
],
[
2.1428234577178955
],
[
2.1144700050354004
],
[
2.0517842769622803
],
[
2.103250026702881
],
[
2.1144700050354004
],
[
2.085249900817871
],
[
2.103250026702881
],
[
2.3394899368286133
],
[
2.068654775619507
],
[
2.21026349067688
],
[
1.8645598888397217
],
[
1.8695528507232666
],
[
2.1428234577178955
],
[
2.085249900817871
],
[
1.964619755744934
],
[
2.145070791244507
],
[
2.3105554580688477
],
[
1.9327927827835083
],
[
1.8288780450820923
],
[
2.157292366027832
],
[
2.0701520442962646
],
[
1.8401470184326172
],
[
2.210966110229492
],
[
2.3105554580688477
],
[
2.039807081222534
],
[
2.063936471939087
],
[
2.157292366027832
],
[
2.0556392669677734
],
[
2.0701520442962646
],
[
2.0556392669677734
],
[
2.239410877227783
],
[
2.063936471939087
],
[
1.9418630599975586
],
[
2.239410877227783
],
[
2.2319650650024414
],
[
2.210966110229492
],
[
2.1477434635162354
],
[
1.8578596115112305
],
[
1.9327927827835083
],
[
2.039807081222534
],
[
1.9418630599975586
],
[
1.8747717142105103
],
[
1.9980130195617676
],
[
1.7580289840698242
],
[
1.8652377128601074
],
[
1.983119010925293
],
[
1.9457576274871826
],
[
2.0416314601898193
],
[
1.860115885734558
],
[
1.7561438083648682
],
[
1.9457576274871826
],
[
1.997755765914917
],
[
1.8652377128601074
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
7,
8,
10,
11,
11,
12,
14,
15,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
8,
25,
25,
26,
26,
27,
27,
28,
27,
29,
29,
30,
30,
31,
31,
32,
6,
33,
33,
34,
33,
35,
35,
36,
35,
4,
32,
7,
24,
16,
32,
26,
24,
19
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
8,
7,
11,
10,
12,
11,
15,
14,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
8,
26,
25,
27,
26,
28,
27,
29,
27,
30,
29,
31,
30,
32,
31,
33,
6,
34,
33,
35,
33,
36,
35,
4,
35,
7,
32,
16,
24,
26,
32,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
2,
2,
3,
4,
4,
4,
5,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7,
7,
2,
2,
2,
2,
2,
2,
2,
2,
1,
1,
1,
1
] |
[
[
0,
2,
3,
5,
6,
59,
59,
7,
8,
9,
50,
50,
10,
61,
61,
11,
34,
12,
15,
18,
63,
63,
19,
20,
21,
22,
22,
23,
24,
67,
67,
25,
25,
26,
27,
28,
29,
30,
31,
32,
32,
62,
66,
66,
33,
35,
36,
36,
37,
38,
38,
65,
65,
39,
39,
42,
41,
41,
43,
43,
44,
45,
46,
47,
48,
48,
60,
64,
64,
49,
51,
54,
54,
53,
53,
58,
55,
55,
57,
57
],
[
2,
4,
1,
3,
8,
55,
56,
59,
50,
7,
52,
54,
34,
64,
49,
61,
36,
14,
13,
20,
66,
33,
63,
22,
19,
24,
67,
21,
26,
62,
33,
23,
67,
28,
25,
30,
27,
32,
29,
62,
66,
18,
23,
24,
31,
11,
38,
65,
35,
40,
42,
60,
49,
37,
65,
44,
39,
42,
39,
40,
46,
43,
48,
45,
60,
64,
10,
37,
38,
47,
9,
58,
56,
51,
54,
6,
51,
52,
58,
55
]
] |
[
[
3.128878593444824
],
[
2.016113519668579
],
[
3.128878593444824
],
[
2.016113519668579
],
[
1.8719407320022583
],
[
1.7580289840698242
],
[
1.997755765914917
],
[
1.860115885734558
],
[
1.8747717142105103
],
[
1.8719407320022583
],
[
1.983119010925293
],
[
1.7561438083648682
],
[
1.964619755744934
],
[
1.8401470184326172
],
[
2.2319650650024414
],
[
1.8578596115112305
],
[
1.8288780450820923
],
[
2.131256580352783
],
[
2.131256580352783
],
[
1.888677954673767
],
[
1.8748812675476074
],
[
2.3394899368286133
],
[
1.8645598888397217
],
[
1.9269381761550903
],
[
1.888677954673767
],
[
2.270754098892212
],
[
1.8695528507232666
],
[
1.9269381761550903
],
[
2.0517842769622803
],
[
1.8748812675476074
],
[
2.068654775619507
],
[
2.270754098892212
],
[
2.1428234577178955
],
[
2.1144700050354004
],
[
2.0517842769622803
],
[
2.103250026702881
],
[
2.1144700050354004
],
[
2.085249900817871
],
[
2.103250026702881
],
[
2.3394899368286133
],
[
2.068654775619507
],
[
1.8645598888397217
],
[
1.8695528507232666
],
[
2.1428234577178955
],
[
2.085249900817871
],
[
1.964619755744934
],
[
2.3105554580688477
],
[
1.9327927827835083
],
[
1.8288780450820923
],
[
2.157292366027832
],
[
2.0701520442962646
],
[
1.8401470184326172
],
[
2.210966110229492
],
[
2.3105554580688477
],
[
2.039807081222534
],
[
2.063936471939087
],
[
2.157292366027832
],
[
2.0556392669677734
],
[
2.0701520442962646
],
[
2.0556392669677734
],
[
2.239410877227783
],
[
2.063936471939087
],
[
1.9418630599975586
],
[
2.239410877227783
],
[
2.2319650650024414
],
[
2.210966110229492
],
[
1.8578596115112305
],
[
1.9327927827835083
],
[
2.039807081222534
],
[
1.9418630599975586
],
[
1.8747717142105103
],
[
1.7580289840698242
],
[
1.8652377128601074
],
[
1.983119010925293
],
[
1.9457576274871826
],
[
1.860115885734558
],
[
1.7561438083648682
],
[
1.9457576274871826
],
[
1.997755765914917
],
[
1.8652377128601074
]
] |
[N-]=[N+]=NCC1OC(n2c(SCC(=O)NCCc3c[nH]c4ccccc34)nc3c(N)ncnc32)C(O)C1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
5,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
8,
17,
17,
18,
17,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
24,
25,
23,
26,
26,
27,
19,
4,
27,
20,
16,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
5,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
8,
18,
17,
19,
17,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
24,
26,
23,
27,
26,
4,
19,
20,
27,
11,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
5,
6,
6,
7,
8,
8,
55,
55,
9,
9,
12,
11,
11,
13,
13,
14,
14,
15,
16,
32,
32,
17,
17,
18,
19,
20,
20,
21,
22,
59,
23,
23,
24,
25,
26,
27,
28,
29,
30,
58,
58,
31,
33,
33,
36,
36,
35,
35,
54,
54,
37,
37,
38,
38,
39,
39,
40,
57,
41,
41,
42,
43,
44,
44,
45,
46,
50,
47,
47,
49,
51,
51,
52,
56,
56,
53
],
[
2,
4,
1,
6,
3,
8,
55,
5,
10,
12,
37,
38,
7,
55,
14,
9,
12,
9,
10,
16,
32,
13,
18,
34,
36,
15,
32,
20,
17,
22,
59,
19,
24,
31,
21,
59,
26,
23,
28,
25,
30,
27,
58,
21,
22,
29,
15,
16,
54,
38,
33,
36,
7,
8,
33,
34,
40,
57,
54,
37,
42,
53,
39,
57,
44,
41,
46,
50,
43,
48,
52,
45,
50,
47,
45,
46,
56,
39,
40,
51
]
] |
[
[
1.9803030490875244
],
[
2.004929542541504
],
[
1.9803030490875244
],
[
1.968982458114624
],
[
2.004929542541504
],
[
2.104207992553711
],
[
2.0743963718414307
],
[
1.968982458114624
],
[
2.1576948165893555
],
[
1.9995192289352417
],
[
1.9194825887680054
],
[
2.0032663345336914
],
[
2.104207992553711
],
[
2.086503505706787
],
[
1.940840721130371
],
[
2.1576948165893555
],
[
2.1227245330810547
],
[
1.9995192289352417
],
[
2.1227245330810547
],
[
2.064101457595825
],
[
2.0643115043640137
],
[
1.940840721130371
],
[
1.968639612197876
],
[
2.138838291168213
],
[
2.0101382732391357
],
[
2.064101457595825
],
[
2.0737509727478027
],
[
1.948876976966858
],
[
1.968639612197876
],
[
2.098407506942749
],
[
2.105754852294922
],
[
1.948876976966858
],
[
2.101750373840332
],
[
2.1007823944091797
],
[
2.098407506942749
],
[
2.078735589981079
],
[
2.0952978134155273
],
[
2.101750373840332
],
[
2.0937061309814453
],
[
2.0952978134155273
],
[
2.0960261821746826
],
[
2.0937061309814453
],
[
2.1007823944091797
],
[
2.105754852294922
],
[
2.078735589981079
],
[
2.0960261821746826
],
[
2.0643115043640137
],
[
2.0737509727478027
],
[
1.9194825887680054
],
[
1.9561845064163208
],
[
2.138838291168213
],
[
2.131463050842285
],
[
2.0743963718414307
],
[
2.086503505706787
],
[
2.0101382732391357
],
[
2.131463050842285
],
[
2.151156187057495
],
[
2.0804007053375244
],
[
2.0032663345336914
],
[
1.9561845064163208
],
[
2.1094045639038086
],
[
2.120530128479004
],
[
2.151156187057495
],
[
2.051323652267456
],
[
2.1107640266418457
],
[
2.1094045639038086
],
[
2.0039939880371094
],
[
2.076300621032715
],
[
2.1107640266418457
],
[
2.0394668579101562
],
[
2.0977840423583984
],
[
2.0039939880371094
],
[
2.2028586864471436
],
[
2.0394668579101562
],
[
2.076300621032715
],
[
2.2028586864471436
],
[
2.120530128479004
],
[
2.0804007053375244
],
[
2.051323652267456
],
[
2.0977840423583984
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
5,
7,
7,
8,
9,
10,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
8,
17,
17,
18,
17,
19,
20,
21,
21,
22,
22,
23,
24,
25,
23,
26,
26,
27,
19,
4,
27,
20,
16,
11
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
5,
8,
7,
10,
9,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
8,
18,
17,
19,
17,
21,
20,
22,
21,
23,
22,
25,
24,
26,
23,
27,
26,
4,
19,
20,
27,
11,
16
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
1,
2,
2,
3,
3,
3,
3,
3,
3,
1,
1,
1,
4,
4,
4,
4,
5,
5,
4,
4
] |
[
[
0,
2,
3,
5,
6,
6,
45,
7,
10,
9,
9,
11,
11,
12,
13,
26,
26,
16,
49,
17,
18,
19,
20,
21,
22,
23,
24,
48,
25,
27,
30,
29,
29,
44,
31,
31,
32,
47,
33,
34,
35,
36,
37,
40,
41,
42,
46,
43
],
[
2,
4,
1,
3,
8,
10,
31,
45,
12,
7,
10,
7,
8,
26,
11,
28,
30,
18,
25,
49,
20,
17,
22,
19,
24,
21,
48,
16,
23,
13,
44,
27,
30,
6,
27,
28,
34,
43,
47,
36,
33,
40,
35,
42,
37,
46,
32,
41
]
] |
[
[
1.9803030490875244
],
[
2.004929542541504
],
[
1.9803030490875244
],
[
2.004929542541504
],
[
2.1576948165893555
],
[
1.9995192289352417
],
[
1.9194825887680054
],
[
2.086503505706787
],
[
1.940840721130371
],
[
2.1576948165893555
],
[
2.1227245330810547
],
[
1.9995192289352417
],
[
2.1227245330810547
],
[
2.0643115043640137
],
[
1.940840721130371
],
[
2.138838291168213
],
[
2.0101382732391357
],
[
2.101750373840332
],
[
2.1007823944091797
],
[
2.078735589981079
],
[
2.0952978134155273
],
[
2.101750373840332
],
[
2.0937061309814453
],
[
2.0952978134155273
],
[
2.0960261821746826
],
[
2.0937061309814453
],
[
2.1007823944091797
],
[
2.078735589981079
],
[
2.0960261821746826
],
[
2.0643115043640137
],
[
1.9194825887680054
],
[
2.138838291168213
],
[
2.131463050842285
],
[
2.086503505706787
],
[
2.0101382732391357
],
[
2.131463050842285
],
[
2.1094045639038086
],
[
2.120530128479004
],
[
2.051323652267456
],
[
2.1107640266418457
],
[
2.1094045639038086
],
[
2.076300621032715
],
[
2.1107640266418457
],
[
2.0977840423583984
],
[
2.076300621032715
],
[
2.120530128479004
],
[
2.051323652267456
],
[
2.0977840423583984
]
] |
CCCCN1C(=O)CN(CCc2ccccc2)C(=O)C1c1ccc(OC)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
20,
21,
20,
22,
22,
23,
23,
24,
23,
25,
23,
26,
18,
27,
12,
3,
27,
14,
11,
6,
27,
10
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
20,
22,
20,
23,
22,
24,
23,
25,
23,
26,
23,
27,
18,
3,
12,
14,
27,
6,
11,
10,
27
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
2,
3,
4,
4,
5,
6,
55,
55,
7,
7,
8,
9,
10,
10,
11,
12,
59,
59,
13,
13,
14,
15,
16,
17,
18,
18,
19,
20,
20,
61,
61,
58,
58,
21,
21,
22,
22,
54,
54,
23,
23,
24,
25,
25,
26,
26,
27,
28,
57,
57,
29,
29,
30,
31,
32,
33,
34,
34,
35,
36,
52,
52,
37,
37,
38,
38,
39,
42,
41,
41,
43,
43,
44,
44,
44,
45,
47,
47,
47,
49,
49,
49,
51,
51,
51,
60,
60,
56,
56,
53,
53
],
[
2,
4,
1,
6,
55,
3,
8,
23,
24,
5,
55,
10,
7,
12,
59,
9,
14,
21,
22,
11,
59,
16,
13,
18,
15,
20,
61,
17,
58,
22,
56,
53,
11,
12,
19,
61,
54,
24,
5,
6,
58,
21,
26,
54,
23,
28,
57,
25,
30,
60,
53,
27,
57,
32,
29,
34,
31,
36,
52,
33,
38,
60,
56,
35,
52,
40,
42,
37,
44,
39,
42,
39,
40,
46,
48,
50,
43,
45,
48,
50,
45,
46,
50,
45,
46,
48,
19,
20,
27,
28,
35,
36
]
] |
[
[
1.9372317790985107
],
[
2.0389420986175537
],
[
1.9372317790985107
],
[
1.9459152221679688
],
[
2.0051841735839844
],
[
2.0389420986175537
],
[
1.9273087978363037
],
[
1.9727938175201416
],
[
1.9505350589752197
],
[
1.9459152221679688
],
[
1.921752691268921
],
[
1.9639066457748413
],
[
1.9273087978363037
],
[
2.087742805480957
],
[
2.099762201309204
],
[
1.9639066457748413
],
[
2.09549617767334
],
[
2.103888750076294
],
[
2.1072373390197754
],
[
2.087742805480957
],
[
2.0937447547912598
],
[
2.095384359359741
],
[
2.09549617767334
],
[
2.1231889724731445
],
[
2.095384359359741
],
[
2.052736282348633
],
[
2.1449356079101562
],
[
2.1231889724731445
],
[
2.103888750076294
],
[
2.07170033454895
],
[
2.06404709815979
],
[
2.1885101795196533
],
[
2.099762201309204
],
[
2.0937447547912598
],
[
2.052736282348633
],
[
2.0840141773223877
],
[
1.9727938175201416
],
[
1.8838118314743042
],
[
2.0051841735839844
],
[
1.921752691268921
],
[
2.1072373390197754
],
[
2.07170033454895
],
[
1.9387667179107666
],
[
1.9505350589752197
],
[
1.8838118314743042
],
[
2.0895273685455322
],
[
2.078230142593384
],
[
1.9387667179107666
],
[
2.1029767990112305
],
[
2.06404709815979
],
[
2.030471086502075
],
[
2.0895273685455322
],
[
2.1153957843780518
],
[
2.0865771770477295
],
[
2.1029767990112305
],
[
2.089414119720459
],
[
2.0865771770477295
],
[
2.0285773277282715
],
[
2.1369500160217285
],
[
2.089414119720459
],
[
1.9713561534881592
],
[
2.1885101795196533
],
[
2.030471086502075
],
[
2.0285773277282715
],
[
2.1175994873046875
],
[
2.2028884887695312
],
[
1.8926949501037598
],
[
1.9713561534881592
],
[
2.1943588256835938
],
[
2.2028884887695312
],
[
2.1875317096710205
],
[
1.8926949501037598
],
[
2.1875317096710205
],
[
1.8855814933776855
],
[
1.9369076490402222
],
[
1.9334367513656616
],
[
2.1943588256835938
],
[
1.8855814933776855
],
[
1.892814040184021
],
[
1.893524169921875
],
[
1.9369076490402222
],
[
1.892814040184021
],
[
1.9202353954315186
],
[
1.9334367513656616
],
[
1.893524169921875
],
[
1.9202353954315186
],
[
2.1449356079101562
],
[
2.0840141773223877
],
[
2.078230142593384
],
[
2.1153957843780518
],
[
2.1369500160217285
],
[
2.1175994873046875
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
20,
21,
23,
24,
23,
25,
23,
26,
18,
27,
12,
3,
27,
14,
11,
6,
27,
10
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
21,
20,
24,
23,
25,
23,
26,
23,
27,
18,
3,
12,
14,
27,
6,
11,
10,
27
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
3,
3,
4,
5,
5,
5,
5,
1
] |
[
[
0,
3,
4,
45,
45,
5,
6,
7,
8,
8,
9,
10,
49,
49,
11,
11,
12,
13,
14,
15,
16,
16,
17,
18,
18,
51,
51,
48,
48,
19,
19,
20,
20,
44,
21,
21,
22,
23,
23,
24,
24,
25,
26,
47,
47,
27,
27,
28,
29,
30,
31,
32,
33,
42,
42,
37,
37,
39,
39,
41,
41,
50,
50,
46,
46,
43
],
[
2,
1,
6,
21,
22,
45,
8,
5,
10,
49,
7,
12,
19,
20,
9,
49,
14,
11,
16,
13,
18,
51,
15,
48,
20,
46,
43,
9,
10,
17,
51,
44,
22,
4,
48,
19,
24,
44,
21,
26,
47,
23,
28,
50,
43,
25,
47,
30,
27,
32,
29,
42,
31,
50,
46,
38,
40,
36,
40,
36,
38,
17,
18,
25,
26,
33
]
] |
[
[
1.9372317790985107
],
[
1.9372317790985107
],
[
1.9273087978363037
],
[
1.9727938175201416
],
[
1.9505350589752197
],
[
1.921752691268921
],
[
1.9639066457748413
],
[
1.9273087978363037
],
[
2.087742805480957
],
[
2.099762201309204
],
[
1.9639066457748413
],
[
2.09549617767334
],
[
2.103888750076294
],
[
2.1072373390197754
],
[
2.087742805480957
],
[
2.0937447547912598
],
[
2.095384359359741
],
[
2.09549617767334
],
[
2.1231889724731445
],
[
2.095384359359741
],
[
2.052736282348633
],
[
2.1449356079101562
],
[
2.1231889724731445
],
[
2.103888750076294
],
[
2.07170033454895
],
[
2.06404709815979
],
[
2.1885101795196533
],
[
2.099762201309204
],
[
2.0937447547912598
],
[
2.052736282348633
],
[
2.0840141773223877
],
[
1.9727938175201416
],
[
1.8838118314743042
],
[
1.921752691268921
],
[
2.1072373390197754
],
[
2.07170033454895
],
[
1.9387667179107666
],
[
1.9505350589752197
],
[
1.8838118314743042
],
[
2.0895273685455322
],
[
2.078230142593384
],
[
1.9387667179107666
],
[
2.1029767990112305
],
[
2.06404709815979
],
[
2.030471086502075
],
[
2.0895273685455322
],
[
2.1153957843780518
],
[
2.0865771770477295
],
[
2.1029767990112305
],
[
2.089414119720459
],
[
2.0865771770477295
],
[
2.1369500160217285
],
[
2.089414119720459
],
[
2.1885101795196533
],
[
2.030471086502075
],
[
1.892814040184021
],
[
1.893524169921875
],
[
1.892814040184021
],
[
1.9202353954315186
],
[
1.893524169921875
],
[
1.9202353954315186
],
[
2.1449356079101562
],
[
2.0840141773223877
],
[
2.078230142593384
],
[
2.1153957843780518
],
[
2.1369500160217285
]
] |
CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c1-3
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
4,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
1,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
22,
23,
22,
24,
21,
25,
12,
6,
25,
16
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
1,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
22,
24,
22,
25,
21,
6,
12,
16,
25
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
24,
3,
3,
4,
5,
6,
6,
7,
10,
10,
9,
9,
11,
11,
12,
51,
13,
13,
14,
15,
16,
17,
18,
18,
19,
22,
21,
21,
50,
50,
23,
23,
25,
25,
26,
27,
28,
29,
30,
30,
31,
32,
53,
33,
33,
34,
35,
36,
36,
37,
40,
40,
39,
39,
41,
41,
42,
42,
48,
43,
43,
45,
45,
47,
47,
52,
52,
49,
49
],
[
2,
24,
4,
26,
1,
24,
6,
3,
8,
10,
5,
12,
51,
7,
10,
7,
8,
14,
23,
11,
51,
16,
13,
18,
15,
20,
22,
17,
50,
19,
22,
11,
12,
19,
20,
1,
2,
28,
25,
30,
27,
32,
53,
29,
34,
49,
31,
53,
36,
33,
38,
40,
35,
42,
48,
37,
40,
37,
38,
44,
46,
52,
41,
48,
43,
46,
43,
44,
31,
32,
41,
42
]
] |
[
[
2.124009132385254
],
[
2.2006723880767822
],
[
1.9442306756973267
],
[
2.102348804473877
],
[
2.124009132385254
],
[
1.9582219123840332
],
[
2.1074156761169434
],
[
1.9442306756973267
],
[
2.1325981616973877
],
[
2.040289878845215
],
[
2.1074156761169434
],
[
2.1298608779907227
],
[
2.0637779235839844
],
[
2.1325981616973877
],
[
2.108750820159912
],
[
2.040289878845215
],
[
2.108750820159912
],
[
2.0965423583984375
],
[
2.0854275226593018
],
[
2.1298608779907227
],
[
2.089317798614502
],
[
2.0927021503448486
],
[
2.0965423583984375
],
[
2.0875084400177
],
[
2.0927021503448486
],
[
2.0840065479278564
],
[
2.1146445274353027
],
[
2.0875084400177
],
[
2.0854275226593018
],
[
2.0840065479278564
],
[
2.0845088958740234
],
[
2.0637779235839844
],
[
2.089317798614502
],
[
2.1146445274353027
],
[
2.0845088958740234
],
[
2.2006723880767822
],
[
1.9582219123840332
],
[
2.004800796508789
],
[
2.102348804473877
],
[
2.118504762649536
],
[
2.004800796508789
],
[
2.070594072341919
],
[
2.1091136932373047
],
[
2.118504762649536
],
[
2.09076189994812
],
[
2.0837855339050293
],
[
2.070594072341919
],
[
2.1034536361694336
],
[
2.100399971008301
],
[
2.09076189994812
],
[
2.005394220352173
],
[
2.0902926921844482
],
[
2.100399971008301
],
[
2.1098761558532715
],
[
2.097627878189087
],
[
2.005394220352173
],
[
2.1874732971191406
],
[
2.0902926921844482
],
[
2.1874732971191406
],
[
2.0654172897338867
],
[
2.046666145324707
],
[
2.0837855339050293
],
[
2.1098761558532715
],
[
2.075657367706299
],
[
2.0654172897338867
],
[
2.1710751056671143
],
[
2.046666145324707
],
[
2.1710751056671143
],
[
2.1091136932373047
],
[
2.1034536361694336
],
[
2.097627878189087
],
[
2.075657367706299
]
] |
[
[
0,
1,
1,
2,
4,
5,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
10,
12,
1,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
19,
20,
19,
21,
21,
22,
22,
23,
22,
24,
21,
25,
12,
6,
25,
16
],
[
1,
0,
2,
1,
5,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
10,
13,
1,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
19,
21,
19,
22,
21,
23,
22,
24,
22,
25,
21,
6,
12,
16,
25
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
1,
2,
2,
3,
3,
3,
3,
3,
3,
3,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
18,
3,
3,
6,
45,
7,
8,
9,
10,
11,
12,
12,
13,
16,
15,
15,
44,
17,
17,
19,
19,
20,
21,
22,
23,
24,
24,
25,
26,
47,
27,
27,
28,
29,
30,
30,
31,
34,
34,
33,
33,
35,
35,
36,
36,
42,
37,
37,
39,
39,
41,
41,
46,
46,
43,
43
],
[
2,
18,
20,
1,
18,
8,
17,
45,
10,
7,
12,
9,
14,
16,
11,
44,
13,
16,
6,
13,
14,
1,
2,
22,
19,
24,
21,
26,
47,
23,
28,
43,
25,
47,
30,
27,
32,
34,
29,
36,
42,
31,
34,
31,
32,
38,
40,
46,
35,
42,
37,
40,
37,
38,
25,
26,
35,
36
]
] |
[
[
2.124009132385254
],
[
2.2006723880767822
],
[
2.102348804473877
],
[
2.124009132385254
],
[
1.9582219123840332
],
[
2.0965423583984375
],
[
2.0854275226593018
],
[
2.089317798614502
],
[
2.0927021503448486
],
[
2.0965423583984375
],
[
2.0875084400177
],
[
2.0927021503448486
],
[
2.0840065479278564
],
[
2.1146445274353027
],
[
2.0875084400177
],
[
2.0854275226593018
],
[
2.0840065479278564
],
[
2.0845088958740234
],
[
2.089317798614502
],
[
2.1146445274353027
],
[
2.0845088958740234
],
[
2.2006723880767822
],
[
1.9582219123840332
],
[
2.004800796508789
],
[
2.102348804473877
],
[
2.118504762649536
],
[
2.004800796508789
],
[
2.070594072341919
],
[
2.1091136932373047
],
[
2.118504762649536
],
[
2.09076189994812
],
[
2.0837855339050293
],
[
2.070594072341919
],
[
2.1034536361694336
],
[
2.100399971008301
],
[
2.09076189994812
],
[
2.005394220352173
],
[
2.0902926921844482
],
[
2.100399971008301
],
[
2.1098761558532715
],
[
2.097627878189087
],
[
2.005394220352173
],
[
2.1874732971191406
],
[
2.0902926921844482
],
[
2.1874732971191406
],
[
2.0654172897338867
],
[
2.046666145324707
],
[
2.0837855339050293
],
[
2.1098761558532715
],
[
2.075657367706299
],
[
2.0654172897338867
],
[
2.1710751056671143
],
[
2.046666145324707
],
[
2.1710751056671143
],
[
2.1091136932373047
],
[
2.1034536361694336
],
[
2.097627878189087
],
[
2.075657367706299
]
] |
O=C(CNC(=O)c1cccc(F)c1)NN=Cc1ccc(O)c([N+](=O)[O-])c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
16,
18,
18,
19,
19,
20,
19,
21,
18,
22,
10,
1,
22,
12,
7,
2
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
16,
19,
18,
20,
19,
21,
19,
22,
18,
1,
10,
12,
22,
2,
7
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
16,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
2,
45,
45,
3,
3,
4,
49,
49,
5,
5,
6,
7,
8,
9,
10,
11,
12,
12,
48,
48,
13,
14,
14,
15,
15,
18,
18,
17,
17,
44,
44,
19,
19,
20,
21,
21,
22,
22,
23,
24,
47,
25,
25,
26,
26,
27,
30,
30,
29,
29,
31,
31,
34,
34,
33,
33,
35,
35,
36,
36,
42,
37,
37,
39,
39,
41,
41,
46,
46,
43,
43
],
[
2,
45,
4,
49,
19,
20,
1,
45,
6,
13,
14,
3,
49,
8,
5,
10,
7,
12,
9,
48,
14,
3,
4,
11,
16,
18,
48,
13,
44,
20,
15,
18,
1,
2,
15,
16,
22,
44,
19,
24,
47,
21,
26,
43,
23,
47,
28,
30,
25,
32,
34,
27,
30,
27,
28,
36,
42,
31,
34,
31,
32,
38,
40,
46,
35,
42,
37,
40,
37,
38,
23,
24,
35,
36
]
] |
[
[
2.1744933128356934
],
[
2.2511887550354004
],
[
2.276601552963257
],
[
1.8774585723876953
],
[
1.954725742340088
],
[
2.1646711826324463
],
[
2.1744933128356934
],
[
1.8574473857879639
],
[
2.044024705886841
],
[
2.129286766052246
],
[
1.8773012161254883
],
[
2.276601552963257
],
[
2.1290900707244873
],
[
2.1099648475646973
],
[
2.044024705886841
],
[
2.109980344772339
],
[
2.1099648475646973
],
[
2.043973445892334
],
[
2.109980344772339
],
[
2.129286766052246
],
[
2.276561737060547
],
[
1.8774585723876953
],
[
2.1290900707244873
],
[
2.043973445892334
],
[
2.175295829772949
],
[
1.857694387435913
],
[
1.8773012161254883
],
[
2.276561737060547
],
[
1.954725742340088
],
[
2.1629385948181152
],
[
2.175295829772949
],
[
2.250133752822876
],
[
2.2511887550354004
],
[
1.8574473857879639
],
[
1.857694387435913
],
[
2.250133752822876
],
[
1.9420709609985352
],
[
2.1646711826324463
],
[
2.1629385948181152
],
[
2.102241277694702
],
[
2.103989362716675
],
[
1.9420709609985352
],
[
2.1048619747161865
],
[
2.0854783058166504
],
[
2.102241277694702
],
[
2.076127529144287
],
[
2.0780086517333984
],
[
2.106285572052002
],
[
2.1048619747161865
],
[
2.110001564025879
],
[
2.0663774013519287
],
[
2.0780086517333984
],
[
2.098867416381836
],
[
2.106285572052002
],
[
2.098867416381836
],
[
2.095417022705078
],
[
2.126957416534424
],
[
2.110001564025879
],
[
2.106706142425537
],
[
2.0663774013519287
],
[
2.106706142425537
],
[
2.036773681640625
],
[
2.0482025146484375
],
[
2.0854783058166504
],
[
2.095417022705078
],
[
2.060783624649048
],
[
2.036773681640625
],
[
2.196849822998047
],
[
2.0482025146484375
],
[
2.196849822998047
],
[
2.103989362716675
],
[
2.076127529144287
],
[
2.126957416534424
],
[
2.060783624649048
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
8,
10,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
16,
18,
18,
19,
19,
20,
19,
21,
18,
22,
10,
1,
22,
12,
7,
2
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
8,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
16,
19,
18,
20,
19,
21,
19,
22,
18,
1,
10,
12,
22,
2,
7
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2,
2
] |
[
[
0,
0,
2,
2,
41,
3,
3,
4,
45,
45,
5,
5,
6,
7,
8,
9,
10,
11,
12,
12,
44,
44,
13,
14,
14,
15,
15,
18,
17,
17,
40,
40,
19,
19,
20,
43,
21,
22,
22,
23,
26,
26,
25,
25,
27,
27,
30,
30,
29,
29,
31,
31,
32,
32,
38,
33,
33,
35,
35,
37,
37,
42,
39,
39
],
[
2,
41,
4,
45,
19,
1,
41,
6,
13,
14,
3,
45,
8,
5,
10,
7,
12,
9,
44,
14,
3,
4,
11,
16,
18,
44,
13,
40,
15,
18,
1,
2,
15,
16,
22,
39,
43,
24,
26,
21,
28,
30,
23,
26,
23,
24,
32,
38,
27,
30,
27,
28,
34,
36,
42,
31,
38,
33,
36,
33,
34,
20,
31,
32
]
] |
[
[
2.1744933128356934
],
[
2.2511887550354004
],
[
2.276601552963257
],
[
1.8774585723876953
],
[
1.954725742340088
],
[
2.1744933128356934
],
[
1.8574473857879639
],
[
2.044024705886841
],
[
2.129286766052246
],
[
1.8773012161254883
],
[
2.276601552963257
],
[
2.1290900707244873
],
[
2.1099648475646973
],
[
2.044024705886841
],
[
2.109980344772339
],
[
2.1099648475646973
],
[
2.043973445892334
],
[
2.109980344772339
],
[
2.129286766052246
],
[
2.276561737060547
],
[
1.8774585723876953
],
[
2.1290900707244873
],
[
2.043973445892334
],
[
2.175295829772949
],
[
1.857694387435913
],
[
1.8773012161254883
],
[
2.276561737060547
],
[
1.954725742340088
],
[
2.175295829772949
],
[
2.250133752822876
],
[
2.2511887550354004
],
[
1.8574473857879639
],
[
1.857694387435913
],
[
2.250133752822876
],
[
2.1048619747161865
],
[
2.0854783058166504
],
[
2.076127529144287
],
[
2.0780086517333984
],
[
2.106285572052002
],
[
2.1048619747161865
],
[
2.110001564025879
],
[
2.0663774013519287
],
[
2.0780086517333984
],
[
2.098867416381836
],
[
2.106285572052002
],
[
2.098867416381836
],
[
2.095417022705078
],
[
2.126957416534424
],
[
2.110001564025879
],
[
2.106706142425537
],
[
2.0663774013519287
],
[
2.106706142425537
],
[
2.036773681640625
],
[
2.0482025146484375
],
[
2.0854783058166504
],
[
2.095417022705078
],
[
2.060783624649048
],
[
2.036773681640625
],
[
2.196849822998047
],
[
2.0482025146484375
],
[
2.196849822998047
],
[
2.076127529144287
],
[
2.126957416534424
],
[
2.060783624649048
]
] |
O=C1c2ccccc2C(=O)N1Cc1cc(Cl)c(O)c([N+](=O)[O-])c1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
3,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
17,
22,
22,
23,
23,
24,
24,
25,
10,
1,
25,
13,
8,
4,
24,
15
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
3,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
17,
23,
22,
24,
23,
25,
24,
1,
10,
13,
25,
4,
8,
15,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
51,
51,
3,
3,
4,
4,
5,
6,
6,
16,
7,
7,
8,
55,
9,
9,
10,
11,
12,
13,
14,
54,
54,
15,
17,
17,
18,
18,
50,
50,
19,
20,
21,
21,
22,
23,
24,
24,
25,
26,
53,
27,
27,
28,
28,
29,
30,
57,
57,
31,
31,
32,
32,
33,
34,
34,
34,
42,
35,
35,
37,
37,
37,
39,
39,
39,
41,
41,
41,
43,
43,
44,
45,
46,
46,
56,
56,
47,
48,
52,
52,
49,
49
],
[
2,
51,
4,
19,
20,
1,
51,
6,
16,
3,
8,
55,
18,
5,
16,
10,
15,
7,
55,
12,
9,
14,
11,
54,
7,
8,
13,
5,
6,
50,
20,
1,
2,
17,
22,
50,
19,
24,
21,
26,
53,
23,
28,
49,
25,
53,
30,
57,
27,
32,
47,
48,
29,
57,
34,
42,
31,
36,
38,
40,
44,
33,
42,
35,
38,
40,
35,
36,
40,
35,
36,
38,
33,
34,
46,
43,
56,
48,
29,
30,
45,
52,
25,
26,
56,
47
]
] |
[
[
2.0755512714385986
],
[
2.2682175636291504
],
[
1.7850914001464844
],
[
1.8907263278961182
],
[
2.201822519302368
],
[
2.0755512714385986
],
[
1.9393831491470337
],
[
2.2078335285186768
],
[
1.9894404411315918
],
[
1.7850914001464844
],
[
2.1464366912841797
],
[
2.145632743835449
],
[
1.8200234174728394
],
[
2.2078335285186768
],
[
2.0858747959136963
],
[
1.8012313842773438
],
[
1.8100006580352783
],
[
2.1464366912841797
],
[
1.967146635055542
],
[
1.7950072288513184
],
[
1.8012313842773438
],
[
1.803112268447876
],
[
1.7950072288513184
],
[
1.8100006580352783
],
[
2.145632743835449
],
[
1.967146635055542
],
[
1.803112268447876
],
[
1.9894404411315918
],
[
2.0858747959136963
],
[
1.8907263278961182
],
[
2.1906111240386963
],
[
2.2682175636291504
],
[
1.9393831491470337
],
[
1.8200234174728394
],
[
1.9590407609939575
],
[
2.201822519302368
],
[
2.1906111240386963
],
[
1.9877128601074219
],
[
1.9590407609939575
],
[
2.1394052505493164
],
[
2.1315743923187256
],
[
1.9877128601074219
],
[
1.796204924583435
],
[
1.7935599088668823
],
[
2.1394052505493164
],
[
2.0115864276885986
],
[
2.3020925521850586
],
[
1.9216856956481934
],
[
1.796204924583435
],
[
2.099416732788086
],
[
2.133819103240967
],
[
1.9014310836791992
],
[
2.3020925521850586
],
[
2.059377670288086
],
[
2.142662525177002
],
[
2.0959439277648926
],
[
2.099416732788086
],
[
1.9474496841430664
],
[
1.9663560390472412
],
[
1.9478696584701538
],
[
2.0853590965270996
],
[
2.142662525177002
],
[
2.0445542335510254
],
[
1.9474496841430664
],
[
1.864948034286499
],
[
1.8664807081222534
],
[
1.9663560390472412
],
[
1.864948034286499
],
[
1.8648836612701416
],
[
1.9478696584701538
],
[
1.8664807081222534
],
[
1.8648836612701416
],
[
2.0959439277648926
],
[
2.0445542335510254
],
[
2.092392683029175
],
[
2.0853590965270996
],
[
2.133819103240967
],
[
2.247901678085327
],
[
1.9216856956481934
],
[
2.059377670288086
],
[
2.092392683029175
],
[
1.7935599088668823
],
[
2.1315743923187256
],
[
2.0115864276885986
],
[
1.9014310836791992
],
[
2.247901678085327
]
] |
[
[
0,
1,
1,
2,
2,
3,
4,
5,
5,
6,
6,
7,
7,
8,
3,
9,
9,
10,
11,
12,
13,
14,
14,
15,
15,
16,
16,
17,
18,
19,
18,
20,
18,
21,
17,
22,
22,
23,
23,
24,
24,
25,
10,
1,
25,
13,
8,
4,
24,
15
],
[
1,
0,
2,
1,
3,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
3,
10,
9,
12,
11,
14,
13,
15,
14,
16,
15,
17,
16,
19,
18,
20,
18,
21,
18,
22,
17,
23,
22,
24,
23,
25,
24,
1,
10,
13,
25,
4,
8,
15,
24
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
1,
1,
1,
1,
0,
0,
2,
2,
3,
3,
3,
3,
3,
4,
4,
4,
4,
3,
3,
3,
3
] |
[
[
0,
0,
2,
43,
3,
3,
4,
5,
14,
6,
47,
7,
8,
9,
10,
11,
12,
46,
13,
15,
16,
42,
42,
17,
20,
45,
21,
22,
22,
23,
24,
49,
49,
25,
25,
26,
27,
34,
29,
29,
31,
31,
33,
33,
35,
36,
37,
38,
38,
48,
48,
39,
40,
44,
41,
41
],
[
2,
43,
4,
17,
1,
43,
14,
3,
16,
8,
13,
47,
10,
7,
12,
9,
46,
6,
11,
5,
42,
1,
2,
15,
22,
41,
45,
24,
49,
21,
26,
39,
40,
23,
49,
34,
25,
36,
30,
32,
28,
32,
28,
30,
27,
38,
35,
48,
40,
23,
24,
37,
44,
20,
48,
39
]
] |
[
[
2.0755512714385986
],
[
2.2682175636291504
],
[
1.7850914001464844
],
[
1.8907263278961182
],
[
2.0755512714385986
],
[
1.9393831491470337
],
[
1.9894404411315918
],
[
1.7850914001464844
],
[
1.8200234174728394
],
[
1.8012313842773438
],
[
1.8100006580352783
],
[
1.967146635055542
],
[
1.7950072288513184
],
[
1.8012313842773438
],
[
1.803112268447876
],
[
1.7950072288513184
],
[
1.8100006580352783
],
[
1.967146635055542
],
[
1.803112268447876
],
[
1.9894404411315918
],
[
1.8907263278961182
],
[
2.2682175636291504
],
[
1.9393831491470337
],
[
1.8200234174728394
],
[
1.796204924583435
],
[
1.7935599088668823
],
[
2.0115864276885986
],
[
2.3020925521850586
],
[
1.9216856956481934
],
[
1.796204924583435
],
[
2.099416732788086
],
[
2.133819103240967
],
[
1.9014310836791992
],
[
2.3020925521850586
],
[
2.059377670288086
],
[
2.0959439277648926
],
[
2.099416732788086
],
[
2.0853590965270996
],
[
1.864948034286499
],
[
1.8664807081222534
],
[
1.864948034286499
],
[
1.8648836612701416
],
[
1.8664807081222534
],
[
1.8648836612701416
],
[
2.0959439277648926
],
[
2.092392683029175
],
[
2.0853590965270996
],
[
2.133819103240967
],
[
2.247901678085327
],
[
1.9216856956481934
],
[
2.059377670288086
],
[
2.092392683029175
],
[
1.7935599088668823
],
[
2.0115864276885986
],
[
1.9014310836791992
],
[
2.247901678085327
]
] |
Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1
|
[
[
0,
1,
1,
2,
1,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
16,
19,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
15,
25,
25,
26,
26,
27,
27,
28,
27,
29,
8,
3,
26,
12,
24,
19
],
[
1,
0,
2,
1,
3,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
19,
16,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
15,
26,
25,
27,
26,
28,
27,
29,
27,
3,
8,
12,
26,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
0,
0
],
[
6,
0,
2,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
6,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
4,
0,
0,
1,
0,
0
]
] |
[
[
0,
0,
4,
4,
3,
3,
5,
5,
6,
59,
59,
7,
7,
8,
9,
10,
11,
12,
13,
14,
14,
58,
58,
15,
16,
17,
17,
18,
19,
20,
21,
22,
22,
23,
24,
61,
61,
25,
25,
26,
27,
28,
28,
29,
30,
30,
30,
48,
31,
31,
36,
36,
33,
33,
33,
35,
35,
35,
37,
37,
37,
38,
63,
39,
39,
40,
41,
42,
43,
44,
45,
46,
62,
62,
47,
49,
49,
50,
50,
60,
60,
51,
52,
52,
53,
53,
55,
55,
57,
57
],
[
2,
4,
6,
59,
1,
4,
1,
2,
8,
15,
16,
5,
59,
10,
7,
12,
9,
14,
11,
58,
16,
5,
6,
13,
18,
58,
15,
20,
17,
22,
19,
24,
61,
21,
26,
51,
52,
23,
61,
28,
25,
30,
48,
27,
32,
34,
36,
50,
29,
48,
38,
63,
31,
34,
36,
31,
32,
36,
31,
32,
34,
40,
47,
37,
63,
42,
39,
44,
41,
46,
43,
62,
37,
38,
45,
29,
30,
60,
52,
23,
24,
49,
54,
56,
60,
51,
53,
56,
53,
54
]
] |
[
[
2.1064703464508057
],
[
2.2209067344665527
],
[
2.0622737407684326
],
[
2.139007091522217
],
[
2.1064703464508057
],
[
1.9557726383209229
],
[
2.2209067344665527
],
[
1.9557726383209229
],
[
2.109612464904785
],
[
2.080432415008545
],
[
2.1465883255004883
],
[
2.0622737407684326
],
[
2.0812673568725586
],
[
2.091296672821045
],
[
2.109612464904785
],
[
2.093073844909668
],
[
2.091296672821045
],
[
2.110610008239746
],
[
2.093073844909668
],
[
2.080432415008545
],
[
2.0559496879577637
],
[
2.139007091522217
],
[
2.0812673568725586
],
[
2.110610008239746
],
[
2.1236371994018555
],
[
2.1465883255004883
],
[
2.0559496879577637
],
[
2.0157320499420166
],
[
2.1236371994018555
],
[
2.0851633548736572
],
[
2.0157320499420166
],
[
2.042055368423462
],
[
2.2066760063171387
],
[
2.0851633548736572
],
[
2.1283187866210938
],
[
2.1412529945373535
],
[
2.124471664428711
],
[
2.042055368423462
],
[
2.0318245887756348
],
[
2.0867960453033447
],
[
2.1283187866210938
],
[
2.1015472412109375
],
[
2.1042251586914062
],
[
2.0867960453033447
],
[
1.8595962524414062
],
[
1.8882100582122803
],
[
1.7870060205459595
],
[
2.0731968879699707
],
[
2.1015472412109375
],
[
2.077361822128296
],
[
2.011070966720581
],
[
2.0434370040893555
],
[
1.8595962524414062
],
[
2.120436668395996
],
[
1.8958722352981567
],
[
1.8882100582122803
],
[
2.120436668395996
],
[
1.8843038082122803
],
[
1.7870060205459595
],
[
1.8958722352981567
],
[
1.8843038082122803
],
[
1.9413120746612549
],
[
1.9558255672454834
],
[
2.011070966720581
],
[
1.9246032238006592
],
[
1.9268958568572998
],
[
1.9413120746612549
],
[
1.930267572402954
],
[
1.9268958568572998
],
[
1.948837161064148
],
[
1.930267572402954
],
[
1.9558255672454834
],
[
2.0434370040893555
],
[
1.9246032238006592
],
[
1.948837161064148
],
[
2.1042251586914062
],
[
2.077361822128296
],
[
2.1412529945373535
],
[
2.017266035079956
],
[
2.2066760063171387
],
[
2.0318245887756348
],
[
2.0731968879699707
],
[
2.04085373878479
],
[
2.042750835418701
],
[
2.124471664428711
],
[
2.017266035079956
],
[
2.04085373878479
],
[
2.1930294036865234
],
[
2.042750835418701
],
[
2.1930294036865234
]
] |
[
[
0,
1,
1,
2,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
16,
18,
19,
20,
20,
21,
21,
22,
22,
23,
23,
24,
15,
25,
25,
26,
26,
27,
27,
28,
27,
29,
8,
3,
26,
12,
24,
19
],
[
1,
0,
2,
1,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
16,
20,
19,
21,
20,
22,
21,
23,
22,
24,
23,
25,
15,
26,
25,
27,
26,
28,
27,
29,
27,
3,
8,
12,
26,
19,
24
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
0,
0,
0,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
1,
1,
1,
1,
1
] |
[
[
0,
3,
4,
55,
55,
5,
6,
7,
8,
9,
10,
11,
12,
12,
54,
13,
14,
15,
15,
16,
17,
18,
19,
20,
20,
21,
22,
57,
57,
23,
23,
24,
25,
26,
26,
27,
28,
28,
44,
29,
29,
31,
31,
33,
33,
34,
59,
35,
36,
37,
38,
39,
40,
41,
42,
58,
43,
45,
45,
46,
46,
56,
56,
47,
48,
48,
49,
49,
51,
51,
53,
53
],
[
2,
1,
6,
13,
14,
55,
8,
5,
10,
7,
12,
9,
54,
14,
4,
11,
16,
54,
13,
18,
15,
20,
17,
22,
57,
19,
24,
47,
48,
21,
57,
26,
23,
28,
44,
25,
30,
32,
46,
27,
44,
29,
32,
29,
30,
36,
43,
59,
38,
35,
40,
37,
42,
39,
58,
34,
41,
27,
28,
56,
48,
21,
22,
45,
50,
52,
56,
47,
49,
52,
49,
50
]
] |
[
[
2.1064703464508057
],
[
2.1064703464508057
],
[
2.109612464904785
],
[
2.080432415008545
],
[
2.1465883255004883
],
[
2.0812673568725586
],
[
2.091296672821045
],
[
2.109612464904785
],
[
2.093073844909668
],
[
2.091296672821045
],
[
2.110610008239746
],
[
2.093073844909668
],
[
2.080432415008545
],
[
2.0559496879577637
],
[
2.0812673568725586
],
[
2.110610008239746
],
[
2.1236371994018555
],
[
2.1465883255004883
],
[
2.0559496879577637
],
[
2.0157320499420166
],
[
2.1236371994018555
],
[
2.0851633548736572
],
[
2.0157320499420166
],
[
2.042055368423462
],
[
2.2066760063171387
],
[
2.0851633548736572
],
[
2.1283187866210938
],
[
2.1412529945373535
],
[
2.124471664428711
],
[
2.042055368423462
],
[
2.0318245887756348
],
[
2.0867960453033447
],
[
2.1283187866210938
],
[
2.1015472412109375
],
[
2.1042251586914062
],
[
2.0867960453033447
],
[
1.8595962524414062
],
[
1.8882100582122803
],
[
2.0731968879699707
],
[
2.1015472412109375
],
[
2.077361822128296
],
[
1.8595962524414062
],
[
2.120436668395996
],
[
1.8882100582122803
],
[
2.120436668395996
],
[
1.9413120746612549
],
[
1.9558255672454834
],
[
1.9246032238006592
],
[
1.9268958568572998
],
[
1.9413120746612549
],
[
1.930267572402954
],
[
1.9268958568572998
],
[
1.948837161064148
],
[
1.930267572402954
],
[
1.9558255672454834
],
[
1.9246032238006592
],
[
1.948837161064148
],
[
2.1042251586914062
],
[
2.077361822128296
],
[
2.1412529945373535
],
[
2.017266035079956
],
[
2.2066760063171387
],
[
2.0318245887756348
],
[
2.0731968879699707
],
[
2.04085373878479
],
[
2.042750835418701
],
[
2.124471664428711
],
[
2.017266035079956
],
[
2.04085373878479
],
[
2.1930294036865234
],
[
2.042750835418701
],
[
2.1930294036865234
]
] |
O=C(O)c1ccccc1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]
|
[
[
0,
1,
1,
2,
2,
3,
2,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
4,
12,
12,
13,
12,
14,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
17,
22,
22,
23,
10,
6,
23,
14
],
[
1,
0,
2,
1,
3,
2,
4,
2,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
4,
13,
12,
14,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
17,
23,
22,
6,
10,
14,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
6,
0,
3,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
15,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
2,
2,
3,
6,
6,
5,
5,
7,
7,
8,
22,
22,
9,
9,
10,
10,
11,
12,
47,
47,
13,
13,
14,
15,
16,
17,
18,
18,
46,
46,
19,
21,
21,
23,
23,
26,
26,
25,
25,
27,
27,
28,
49,
29,
29,
30,
31,
32,
32,
33,
34,
34,
34,
42,
35,
35,
37,
37,
37,
39,
39,
39,
41,
41,
41,
43,
43,
44,
48,
48,
45
],
[
2,
4,
6,
1,
8,
22,
3,
6,
3,
4,
10,
24,
26,
7,
22,
12,
47,
9,
14,
19,
20,
11,
47,
16,
13,
18,
15,
46,
20,
11,
12,
17,
46,
19,
7,
8,
28,
49,
23,
26,
23,
24,
30,
45,
27,
49,
32,
29,
34,
42,
31,
36,
38,
40,
44,
33,
42,
35,
38,
40,
35,
36,
40,
35,
36,
38,
33,
34,
48,
27,
28,
43
]
] |
[
[
1.979079246520996
],
[
1.9290111064910889
],
[
1.9660581350326538
],
[
1.979079246520996
],
[
2.065338134765625
],
[
2.039644718170166
],
[
1.9290111064910889
],
[
1.9645005464553833
],
[
1.9660581350326538
],
[
1.9645005464553833
],
[
1.9890165328979492
],
[
2.1732418537139893
],
[
2.0862793922424316
],
[
2.065338134765625
],
[
2.1501858234405518
],
[
2.110642433166504
],
[
2.227947235107422
],
[
1.9890165328979492
],
[
1.6161859035491943
],
[
1.9433205127716064
],
[
2.189476251602173
],
[
2.110642433166504
],
[
1.943317174911499
],
[
1.9523155689239502
],
[
1.6161859035491943
],
[
1.967751383781433
],
[
1.9523155689239502
],
[
1.9433205127716064
],
[
2.1503615379333496
],
[
2.227947235107422
],
[
1.943317174911499
],
[
1.967751383781433
],
[
2.189476251602173
],
[
2.1503615379333496
],
[
2.039644718170166
],
[
2.1501858234405518
],
[
2.084487199783325
],
[
2.0847201347351074
],
[
2.1732418537139893
],
[
2.0234429836273193
],
[
2.0862793922424316
],
[
2.0234429836273193
],
[
2.0855698585510254
],
[
2.0869312286376953
],
[
2.084487199783325
],
[
2.1120152473449707
],
[
2.0838210582733154
],
[
2.0855698585510254
],
[
2.085941791534424
],
[
2.1139323711395264
],
[
2.0838210582733154
],
[
1.8036555051803589
],
[
1.8747076988220215
],
[
1.8739550113677979
],
[
2.083228826522827
],
[
2.085941791534424
],
[
2.082813262939453
],
[
1.8036555051803589
],
[
1.8920890092849731
],
[
1.8894813060760498
],
[
1.8747076988220215
],
[
1.8920890092849731
],
[
2.1066384315490723
],
[
1.8739550113677979
],
[
1.8894813060760498
],
[
2.1066384315490723
],
[
2.1139323711395264
],
[
2.082813262939453
],
[
2.0869312286376953
],
[
2.0847201347351074
],
[
2.1120152473449707
],
[
2.083228826522827
]
] |
[
[
0,
1,
1,
2,
2,
3,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
12,
13,
14,
15,
15,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
17,
22,
22,
23,
10,
6,
23,
14
],
[
1,
0,
2,
1,
3,
2,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
13,
12,
15,
14,
16,
15,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
17,
23,
22,
6,
10,
14,
23
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
1,
2,
3,
3,
3,
3,
3,
3,
4,
4,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5
] |
[
[
0,
2,
3,
5,
6,
37,
37,
7,
8,
9,
10,
11,
12,
12,
36,
13,
15,
15,
18,
39,
19,
20,
21,
22,
22,
23,
24,
24,
24,
32,
25,
25,
27,
27,
27,
29,
29,
29,
31,
31,
31,
33,
33,
34,
38,
35
],
[
2,
4,
1,
3,
8,
13,
14,
37,
10,
7,
12,
9,
36,
14,
6,
11,
36,
13,
20,
35,
39,
22,
19,
24,
32,
21,
26,
28,
30,
34,
23,
32,
25,
28,
30,
25,
26,
30,
25,
26,
28,
23,
24,
38,
18,
33
]
] |
[
[
1.979079246520996
],
[
1.9290111064910889
],
[
1.979079246520996
],
[
1.9290111064910889
],
[
1.6161859035491943
],
[
1.9433205127716064
],
[
2.189476251602173
],
[
1.943317174911499
],
[
1.9523155689239502
],
[
1.6161859035491943
],
[
1.967751383781433
],
[
1.9523155689239502
],
[
1.9433205127716064
],
[
2.1503615379333496
],
[
1.943317174911499
],
[
1.967751383781433
],
[
2.189476251602173
],
[
2.1503615379333496
],
[
2.0855698585510254
],
[
2.0869312286376953
],
[
2.1120152473449707
],
[
2.0838210582733154
],
[
2.0855698585510254
],
[
2.085941791534424
],
[
2.1139323711395264
],
[
2.0838210582733154
],
[
1.8036555051803589
],
[
1.8747076988220215
],
[
1.8739550113677979
],
[
2.083228826522827
],
[
2.085941791534424
],
[
2.082813262939453
],
[
1.8036555051803589
],
[
1.8920890092849731
],
[
1.8894813060760498
],
[
1.8747076988220215
],
[
1.8920890092849731
],
[
2.1066384315490723
],
[
1.8739550113677979
],
[
1.8894813060760498
],
[
2.1066384315490723
],
[
2.1139323711395264
],
[
2.082813262939453
],
[
2.0869312286376953
],
[
2.1120152473449707
],
[
2.083228826522827
]
] |
CCC(C)N(Cc1sccc1C)C(=O)c1ccc(S(C)(=O)=O)cc1
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
11,
14,
14,
15,
15,
16,
14,
17,
17,
18,
18,
19,
17,
20,
8,
21,
21,
22,
22,
23,
5,
24,
24,
25,
25,
26,
25,
2,
22,
6,
20,
9
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
11,
15,
14,
16,
15,
17,
14,
18,
17,
19,
18,
20,
17,
21,
8,
22,
21,
23,
22,
24,
5,
25,
24,
26,
25,
2,
25,
6,
22,
9,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
7,
0,
2,
5,
1,
0,
1,
0,
0
]
] |
[
[
0,
2,
2,
3,
4,
53,
53,
5,
5,
6,
7,
8,
8,
9,
10,
10,
46,
11,
11,
12,
55,
55,
13,
13,
14,
14,
15,
16,
16,
40,
17,
17,
18,
57,
19,
19,
20,
20,
21,
22,
26,
26,
23,
23,
25,
27,
27,
28,
32,
32,
29,
29,
31,
33,
33,
34,
38,
35,
35,
37,
56,
56,
39,
39,
41,
41,
42,
42,
54,
54,
43,
45,
45,
47,
47,
48,
48,
52,
52,
49,
51,
51
],
[
2,
4,
53,
1,
6,
49,
50,
3,
53,
8,
5,
10,
46,
7,
12,
55,
48,
9,
46,
14,
43,
44,
11,
55,
16,
40,
13,
18,
57,
42,
15,
40,
20,
39,
17,
57,
22,
26,
19,
24,
28,
32,
21,
26,
23,
21,
22,
30,
34,
38,
27,
32,
29,
27,
28,
36,
56,
33,
38,
35,
17,
18,
33,
34,
15,
16,
54,
44,
11,
12,
41,
54,
43,
9,
10,
52,
50,
3,
4,
47,
52,
49
]
] |
[
[
2.032951593399048
],
[
2.205477714538574
],
[
2.006527900695801
],
[
2.032951593399048
],
[
2.094377040863037
],
[
2.125792980194092
],
[
2.0966999530792236
],
[
2.205477714538574
],
[
2.0711545944213867
],
[
2.1145071983337402
],
[
2.094377040863037
],
[
2.1240410804748535
],
[
2.068941831588745
],
[
2.1145071983337402
],
[
1.9634779691696167
],
[
1.9904905557632446
],
[
2.0915074348449707
],
[
2.1240410804748535
],
[
2.0897440910339355
],
[
1.7406578063964844
],
[
1.949613094329834
],
[
2.098559856414795
],
[
1.9634779691696167
],
[
1.8015507459640503
],
[
2.127781391143799
],
[
2.009493827819824
],
[
1.7406578063964844
],
[
2.117347478866577
],
[
2.070448160171509
],
[
1.8693199157714844
],
[
2.127781391143799
],
[
2.145691394805908
],
[
2.0831615924835205
],
[
2.1074304580688477
],
[
2.117347478866577
],
[
2.0953335762023926
],
[
2.060262441635132
],
[
2.1051347255706787
],
[
2.0831615924835205
],
[
1.924396276473999
],
[
2.0895562171936035
],
[
2.1014151573181152
],
[
2.060262441635132
],
[
2.1158182621002197
],
[
1.924396276473999
],
[
2.1051347255706787
],
[
2.1158182621002197
],
[
1.9174327850341797
],
[
2.028841972351074
],
[
2.0730302333831787
],
[
2.0895562171936035
],
[
2.09065580368042
],
[
1.9174327850341797
],
[
2.1014151573181152
],
[
2.09065580368042
],
[
2.0488500595092773
],
[
2.1074304580688477
],
[
2.028841972351074
],
[
2.1812453269958496
],
[
2.0488500595092773
],
[
2.070448160171509
],
[
2.0953335762023926
],
[
2.0730302333831787
],
[
2.1812453269958496
],
[
2.009493827819824
],
[
2.145691394805908
],
[
1.949613094329834
],
[
2.0511488914489746
],
[
1.9904905557632446
],
[
1.8015507459640503
],
[
1.8693199157714844
],
[
2.098559856414795
],
[
2.0511488914489746
],
[
2.068941831588745
],
[
2.0897440910339355
],
[
2.125792980194092
],
[
2.060654401779175
],
[
2.006527900695801
],
[
2.0711545944213867
],
[
2.0915074348449707
],
[
2.0966999530792236
],
[
2.060654401779175
]
] |
[
[
0,
1,
2,
3,
3,
4,
4,
5,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
12,
13,
11,
14,
15,
16,
14,
17,
18,
19,
17,
20,
8,
21,
21,
22,
22,
23,
5,
24,
24,
25,
25,
26,
25,
2,
22,
6,
20,
9
],
[
1,
0,
3,
2,
4,
3,
5,
4,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
13,
12,
14,
11,
16,
15,
17,
14,
19,
18,
20,
17,
21,
8,
22,
21,
23,
22,
24,
5,
25,
24,
26,
25,
2,
25,
6,
22,
9,
20
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
1,
1,
1,
2,
2,
2,
2,
2,
2,
3,
3,
2,
4,
4,
2,
5,
5,
2,
2,
2,
2,
1,
1,
1
] |
[
[
2,
43,
43,
3,
4,
5,
6,
7,
36,
8,
45,
45,
9,
10,
10,
11,
12,
12,
30,
13,
13,
14,
47,
15,
15,
16,
17,
20,
21,
24,
25,
28,
46,
46,
29,
31,
31,
32,
32,
44,
33,
35,
35,
37,
38,
38,
42,
39,
41,
41
],
[
4,
39,
40,
43,
6,
3,
36,
5,
38,
10,
33,
34,
45,
12,
30,
9,
14,
47,
32,
11,
30,
16,
29,
13,
47,
20,
15,
24,
17,
28,
21,
46,
13,
14,
25,
11,
12,
44,
34,
8,
31,
44,
33,
7,
42,
40,
2,
37,
42,
39
]
] |
[
[
2.094377040863037
],
[
2.125792980194092
],
[
2.0966999530792236
],
[
2.0711545944213867
],
[
2.1145071983337402
],
[
2.094377040863037
],
[
2.068941831588745
],
[
2.1145071983337402
],
[
2.0915074348449707
],
[
1.7406578063964844
],
[
1.949613094329834
],
[
2.098559856414795
],
[
1.8015507459640503
],
[
2.127781391143799
],
[
2.009493827819824
],
[
1.7406578063964844
],
[
2.117347478866577
],
[
2.070448160171509
],
[
1.8693199157714844
],
[
2.127781391143799
],
[
2.145691394805908
],
[
2.0831615924835205
],
[
2.1074304580688477
],
[
2.117347478866577
],
[
2.0953335762023926
],
[
2.1051347255706787
],
[
2.0831615924835205
],
[
2.1014151573181152
],
[
2.1051347255706787
],
[
2.0730302333831787
],
[
2.1014151573181152
],
[
2.1074304580688477
],
[
2.070448160171509
],
[
2.0953335762023926
],
[
2.0730302333831787
],
[
2.009493827819824
],
[
2.145691394805908
],
[
1.949613094329834
],
[
2.0511488914489746
],
[
1.8015507459640503
],
[
1.8693199157714844
],
[
2.098559856414795
],
[
2.0511488914489746
],
[
2.068941831588745
],
[
2.125792980194092
],
[
2.060654401779175
],
[
2.0711545944213867
],
[
2.0915074348449707
],
[
2.0966999530792236
],
[
2.060654401779175
]
] |
COc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1O
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
17,
18,
18,
19,
18,
20,
18,
21,
8,
22,
22,
23,
23,
24,
24,
25,
24,
26,
24,
27,
27,
28,
28,
29,
28,
30,
30,
31,
31,
32,
31,
33,
31,
34,
27,
35,
4,
36,
36,
37,
37,
38,
38,
39,
39,
40,
39,
41,
41,
42,
42,
43,
43,
1,
35,
2,
43,
36,
26,
3,
26,
7,
17,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
18,
17,
19,
18,
20,
18,
21,
18,
22,
8,
23,
22,
24,
23,
25,
24,
26,
24,
27,
24,
28,
27,
29,
28,
30,
28,
31,
30,
32,
31,
33,
31,
34,
31,
35,
27,
36,
4,
37,
36,
38,
37,
39,
38,
40,
39,
41,
39,
42,
41,
43,
42,
1,
43,
2,
35,
36,
43,
3,
26,
7,
26,
11,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
8,
0,
1,
5,
0,
0,
2,
0,
0
],
[
7,
0,
2,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
0,
0,
2,
0,
1
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
6,
0,
3,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
0
],
[
5,
0,
4,
5,
0,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
3,
0,
2,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
0,
1
],
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
7,
0,
2,
5,
0,
0,
1,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
]
] |
[
[
0,
0,
2,
2,
87,
87,
3,
3,
4,
4,
89,
5,
5,
6,
6,
93,
93,
7,
7,
8,
70,
70,
9,
9,
10,
11,
12,
12,
13,
14,
14,
95,
95,
15,
15,
16,
42,
17,
17,
18,
19,
20,
20,
21,
22,
97,
97,
23,
23,
24,
25,
26,
26,
27,
30,
29,
29,
31,
31,
32,
32,
96,
96,
33,
34,
34,
34,
35,
35,
37,
37,
37,
39,
39,
39,
41,
41,
41,
43,
43,
44,
45,
46,
46,
46,
47,
50,
50,
52,
52,
49,
49,
49,
92,
92,
94,
94,
51,
51,
51,
53,
53,
53,
54,
54,
68,
55,
55,
58,
57,
57,
59,
59,
60,
60,
60,
61,
63,
63,
63,
65,
65,
65,
67,
67,
67,
88,
88,
69,
69,
71,
71,
72,
91,
91,
73,
73,
74,
75,
76,
76,
77,
80,
79,
79,
81,
81,
82,
83,
84,
84,
86,
86,
90,
90,
85
],
[
2,
87,
4,
89,
90,
85,
1,
87,
6,
93,
69,
3,
89,
8,
70,
94,
51,
5,
93,
10,
72,
91,
7,
70,
12,
9,
14,
95,
11,
16,
42,
92,
51,
13,
95,
18,
44,
15,
42,
20,
17,
22,
97,
19,
24,
33,
34,
21,
97,
26,
23,
28,
30,
25,
32,
27,
30,
27,
28,
96,
34,
21,
22,
31,
36,
38,
40,
96,
33,
35,
38,
40,
35,
36,
40,
35,
36,
38,
15,
16,
46,
43,
48,
50,
52,
45,
92,
94,
54,
68,
47,
50,
52,
5,
6,
13,
14,
47,
48,
52,
47,
48,
50,
56,
58,
88,
53,
68,
60,
55,
58,
55,
56,
62,
64,
66,
59,
61,
64,
66,
61,
62,
66,
61,
62,
64,
3,
4,
53,
54,
7,
8,
74,
86,
85,
71,
91,
76,
73,
78,
80,
75,
82,
77,
80,
77,
78,
84,
81,
86,
90,
1,
2,
71,
72,
83
]
] |
[
[
1.9509352445602417
],
[
1.9072487354278564
],
[
2.12894868850708
],
[
2.027240514755249
],
[
1.915956974029541
],
[
1.9747868776321411
],
[
1.9509352445602417
],
[
1.9740053415298462
],
[
2.1649951934814453
],
[
2.148585319519043
],
[
2.0195260047912598
],
[
2.12894868850708
],
[
2.126972198486328
],
[
1.8602464199066162
],
[
1.9497778415679932
],
[
1.881902813911438
],
[
2.0125203132629395
],
[
2.1649951934814453
],
[
1.9676315784454346
],
[
1.931268334388733
],
[
1.9699945449829102
],
[
1.9423110485076904
],
[
1.8602464199066162
],
[
2.0302517414093018
],
[
1.9843223094940186
],
[
1.931268334388733
],
[
1.9122169017791748
],
[
1.9649792909622192
],
[
1.9843223094940186
],
[
1.8907763957977295
],
[
1.9586033821105957
],
[
1.881902813911438
],
[
1.962786316871643
],
[
1.9122169017791748
],
[
1.9258646965026855
],
[
1.953932762145996
],
[
1.9609508514404297
],
[
1.8907763957977295
],
[
1.9576562643051147
],
[
1.8880161046981812
],
[
1.953932762145996
],
[
2.070021629333496
],
[
2.1315066814422607
],
[
1.8880161046981812
],
[
2.110133647918701
],
[
2.0747134685516357
],
[
2.1429977416992188
],
[
2.070021629333496
],
[
2.0816307067871094
],
[
2.084723711013794
],
[
2.110133647918701
],
[
2.0870773792266846
],
[
2.110461711883545
],
[
2.084723711013794
],
[
2.1045660972595215
],
[
2.0870773792266846
],
[
2.0855941772460938
],
[
2.110461711883545
],
[
2.0855941772460938
],
[
2.0747134685516357
],
[
2.064973831176758
],
[
2.1315066814422607
],
[
2.0816307067871094
],
[
2.1045660972595215
],
[
1.994582176208496
],
[
1.9724266529083252
],
[
1.9607585668563843
],
[
2.1429977416992188
],
[
2.064973831176758
],
[
1.994582176208496
],
[
1.857173204421997
],
[
1.8283441066741943
],
[
1.9724266529083252
],
[
1.857173204421997
],
[
1.8371446132659912
],
[
1.9607585668563843
],
[
1.8283441066741943
],
[
1.8371446132659912
],
[
1.9586033821105957
],
[
1.9576562643051147
],
[
1.9475575685501099
],
[
1.9609508514404297
],
[
1.8931200504302979
],
[
1.8726614713668823
],
[
1.955737829208374
],
[
1.9475575685501099
],
[
2.0125203132629395
],
[
1.962786316871643
],
[
2.079028606414795
],
[
2.0811820030212402
],
[
1.8931200504302979
],
[
1.888843297958374
],
[
1.8945215940475464
],
[
2.148585319519043
],
[
1.9676315784454346
],
[
1.9649792909622192
],
[
1.9258646965026855
],
[
1.8726614713668823
],
[
1.888843297958374
],
[
1.9569339752197266
],
[
1.955737829208374
],
[
1.8945215940475464
],
[
1.9569339752197266
],
[
2.171290874481201
],
[
1.962122917175293
],
[
2.0195260047912598
],
[
2.079028606414795
],
[
2.0247626304626465
],
[
2.1200270652770996
],
[
2.171290874481201
],
[
2.149745225906372
],
[
1.962122917175293
],
[
2.149745225906372
],
[
1.9445362091064453
],
[
1.9422950744628906
],
[
1.8242266178131104
],
[
2.1200270652770996
],
[
1.9445362091064453
],
[
1.9570374488830566
],
[
1.8942053318023682
],
[
1.9422950744628906
],
[
1.9570374488830566
],
[
1.8954739570617676
],
[
1.8242266178131104
],
[
1.8942053318023682
],
[
1.8954739570617676
],
[
2.027240514755249
],
[
2.126972198486328
],
[
2.0811820030212402
],
[
2.0247626304626465
],
[
1.9497778415679932
],
[
2.0302517414093018
],
[
2.0348241329193115
],
[
1.915956974029541
],
[
1.9197087287902832
],
[
1.9699945449829102
],
[
1.951205849647522
],
[
2.1246495246887207
],
[
2.0348241329193115
],
[
2.1366748809814453
],
[
2.007147789001465
],
[
2.1246495246887207
],
[
2.0814149379730225
],
[
2.1366748809814453
],
[
2.1372289657592773
],
[
2.007147789001465
],
[
2.1372289657592773
],
[
1.926296353340149
],
[
2.0814149379730225
],
[
1.9747868776321411
],
[
1.9197087287902832
],
[
1.9072487354278564
],
[
1.9740053415298462
],
[
1.9423110485076904
],
[
1.951205849647522
],
[
1.926296353340149
]
] |
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
7,
8,
11,
12,
12,
13,
13,
14,
14,
15,
14,
16,
16,
17,
18,
19,
18,
20,
18,
21,
8,
22,
22,
23,
23,
24,
24,
25,
24,
26,
24,
27,
28,
29,
31,
32,
31,
33,
31,
34,
27,
35,
4,
36,
36,
37,
37,
38,
38,
39,
39,
40,
39,
41,
41,
42,
42,
43,
43,
1,
35,
2,
43,
36,
26,
3,
26,
7,
17,
11
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
7,
12,
11,
13,
12,
14,
13,
15,
14,
16,
14,
17,
16,
19,
18,
20,
18,
21,
18,
22,
8,
23,
22,
24,
23,
25,
24,
26,
24,
27,
24,
29,
28,
32,
31,
33,
31,
34,
31,
35,
27,
36,
4,
37,
36,
38,
37,
39,
38,
40,
39,
41,
39,
42,
41,
43,
42,
1,
43,
2,
35,
36,
43,
3,
26,
7,
26,
11,
17
]
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
0
],
[
1,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
1,
2,
3,
3,
3,
3,
3,
3,
3,
4,
4,
4,
4,
0,
0,
0,
0,
0,
0,
5,
5,
6,
7,
7,
7,
7,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0,
0,
2,
2,
73,
73,
3,
3,
4,
4,
75,
5,
5,
6,
6,
79,
79,
7,
7,
8,
56,
56,
9,
9,
10,
11,
12,
12,
13,
14,
81,
81,
15,
15,
34,
16,
83,
17,
18,
19,
20,
20,
21,
24,
23,
23,
25,
25,
26,
82,
27,
29,
29,
31,
31,
33,
33,
35,
36,
37,
38,
38,
38,
39,
42,
42,
44,
41,
41,
41,
78,
78,
80,
80,
43,
43,
43,
45,
45,
45,
54,
49,
49,
51,
51,
53,
53,
74,
74,
55,
57,
57,
58,
77,
77,
59,
59,
60,
61,
62,
62,
63,
66,
65,
65,
67,
67,
68,
69,
70,
70,
72,
72,
76,
76,
71
],
[
2,
73,
4,
75,
76,
71,
1,
73,
6,
79,
55,
3,
75,
8,
56,
80,
43,
5,
79,
10,
58,
77,
7,
56,
12,
9,
14,
81,
11,
34,
78,
43,
13,
81,
36,
18,
27,
83,
20,
17,
22,
24,
19,
26,
21,
24,
21,
22,
82,
16,
25,
30,
32,
28,
32,
28,
30,
15,
38,
35,
40,
42,
44,
37,
78,
80,
54,
39,
42,
44,
5,
6,
13,
14,
39,
40,
44,
39,
40,
42,
74,
50,
52,
48,
52,
48,
50,
3,
4,
45,
7,
8,
60,
72,
71,
57,
77,
62,
59,
64,
66,
61,
68,
63,
66,
63,
64,
70,
67,
72,
76,
1,
2,
57,
58,
69
]
] |
[
[
1.9509352445602417
],
[
1.9072487354278564
],
[
2.12894868850708
],
[
2.027240514755249
],
[
1.915956974029541
],
[
1.9747868776321411
],
[
1.9509352445602417
],
[
1.9740053415298462
],
[
2.1649951934814453
],
[
2.148585319519043
],
[
2.0195260047912598
],
[
2.12894868850708
],
[
2.126972198486328
],
[
1.8602464199066162
],
[
1.9497778415679932
],
[
1.881902813911438
],
[
2.0125203132629395
],
[
2.1649951934814453
],
[
1.9676315784454346
],
[
1.931268334388733
],
[
1.9699945449829102
],
[
1.9423110485076904
],
[
1.8602464199066162
],
[
2.0302517414093018
],
[
1.9843223094940186
],
[
1.931268334388733
],
[
1.9122169017791748
],
[
1.9649792909622192
],
[
1.9843223094940186
],
[
1.9586033821105957
],
[
1.881902813911438
],
[
1.962786316871643
],
[
1.9122169017791748
],
[
1.9258646965026855
],
[
1.9609508514404297
],
[
2.110133647918701
],
[
2.0747134685516357
],
[
2.0816307067871094
],
[
2.084723711013794
],
[
2.110133647918701
],
[
2.0870773792266846
],
[
2.110461711883545
],
[
2.084723711013794
],
[
2.1045660972595215
],
[
2.0870773792266846
],
[
2.0855941772460938
],
[
2.110461711883545
],
[
2.0855941772460938
],
[
2.0747134685516357
],
[
2.0816307067871094
],
[
2.1045660972595215
],
[
1.857173204421997
],
[
1.8283441066741943
],
[
1.857173204421997
],
[
1.8371446132659912
],
[
1.8283441066741943
],
[
1.8371446132659912
],
[
1.9586033821105957
],
[
1.9475575685501099
],
[
1.9609508514404297
],
[
1.8931200504302979
],
[
1.8726614713668823
],
[
1.955737829208374
],
[
1.9475575685501099
],
[
2.0125203132629395
],
[
1.962786316871643
],
[
2.0811820030212402
],
[
1.8931200504302979
],
[
1.888843297958374
],
[
1.8945215940475464
],
[
2.148585319519043
],
[
1.9676315784454346
],
[
1.9649792909622192
],
[
1.9258646965026855
],
[
1.8726614713668823
],
[
1.888843297958374
],
[
1.9569339752197266
],
[
1.955737829208374
],
[
1.8945215940475464
],
[
1.9569339752197266
],
[
2.0195260047912598
],
[
1.9570374488830566
],
[
1.8942053318023682
],
[
1.9570374488830566
],
[
1.8954739570617676
],
[
1.8942053318023682
],
[
1.8954739570617676
],
[
2.027240514755249
],
[
2.126972198486328
],
[
2.0811820030212402
],
[
1.9497778415679932
],
[
2.0302517414093018
],
[
2.0348241329193115
],
[
1.915956974029541
],
[
1.9197087287902832
],
[
1.9699945449829102
],
[
1.951205849647522
],
[
2.1246495246887207
],
[
2.0348241329193115
],
[
2.1366748809814453
],
[
2.007147789001465
],
[
2.1246495246887207
],
[
2.0814149379730225
],
[
2.1366748809814453
],
[
2.1372289657592773
],
[
2.007147789001465
],
[
2.1372289657592773
],
[
1.926296353340149
],
[
2.0814149379730225
],
[
1.9747868776321411
],
[
1.9197087287902832
],
[
1.9072487354278564
],
[
1.9740053415298462
],
[
1.9423110485076904
],
[
1.951205849647522
],
[
1.926296353340149
]
] |
CC1C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C2COC(=O)OCC12
|
[
[
0,
1,
1,
2,
2,
3,
3,
4,
4,
5,
5,
6,
6,
7,
1,
8,
8,
9,
9,
10,
10,
11,
11,
12,
12,
13,
13,
14,
14,
15,
15,
16,
16,
17,
12,
18,
7,
4,
18,
8,
17,
13
],
[
1,
0,
2,
1,
3,
2,
4,
3,
5,
4,
6,
5,
7,
6,
8,
1,
9,
8,
10,
9,
11,
10,
12,
11,
13,
12,
14,
13,
15,
14,
16,
15,
17,
16,
18,
12,
4,
7,
8,
18,
13,
17
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
1
],
[
0,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
[
7,
0,
1,
5,
0,
0,
1,
0,
0
],
[
5,
0,
3,
5,
0,
0,
1,
0,
0
],
[
6,
0,
3,
5,
1,
0,
1,
0,
0
],
[
5,
0,
4,
5,
2,
0,
2,
0,
0
],
[
5,
0,
4,
5,
1,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
4,
5,
2,
0,
2,
0,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
0,
0,
1,
1,
1
],
[
6,
0,
3,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
6,
0,
2,
5,
0,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
],
[
5,
0,
3,
5,
1,
0,
1,
1,
1
]
] |
[
[
0,
0,
2,
14,
14,
3,
3,
4,
5,
6,
6,
7,
8,
37,
9,
9,
10,
11,
12,
36,
36,
13,
15,
15,
16,
39,
17,
17,
18,
19,
20,
21,
22,
22,
23,
24,
24,
34,
25,
25,
26,
41,
27,
27,
28,
29,
30,
31,
32,
40,
40,
33,
38,
38,
35,
35
],
[
2,
14,
4,
16,
39,
1,
14,
6,
3,
8,
37,
5,
10,
13,
7,
37,
12,
9,
36,
7,
8,
11,
1,
2,
18,
35,
15,
39,
20,
17,
22,
19,
24,
34,
21,
26,
41,
38,
23,
34,
28,
33,
25,
41,
30,
27,
32,
29,
40,
25,
26,
31,
15,
16,
23,
24
]
] |
[
[
2.159613847732544
],
[
2.0896785259246826
],
[
2.0936295986175537
],
[
2.1272802352905273
],
[
2.061321973800659
],
[
2.159613847732544
],
[
2.033433675765991
],
[
1.870177149772644
],
[
2.0936295986175537
],
[
2.0536587238311768
],
[
2.0140063762664795
],
[
1.870177149772644
],
[
1.5235364437103271
],
[
1.5246390104293823
],
[
2.0536587238311768
],
[
1.510221004486084
],
[
1.5241819620132446
],
[
1.5235364437103271
],
[
1.5246390104293823
],
[
2.0140063762664795
],
[
1.510221004486084
],
[
1.5241819620132446
],
[
2.0896785259246826
],
[
2.033433675765991
],
[
2.0539121627807617
],
[
2.0654711723327637
],
[
2.1272802352905273
],
[
2.0942223072052
],
[
2.158524990081787
],
[
2.0539121627807617
],
[
2.059940814971924
],
[
2.158524990081787
],
[
2.0462775230407715
],
[
2.133925437927246
],
[
2.059940814971924
],
[
2.253561019897461
],
[
2.1834428310394287
],
[
2.0654711723327637
],
[
2.0462775230407715
],
[
2.102956771850586
],
[
1.846647024154663
],
[
1.9640141725540161
],
[
2.253561019897461
],
[
1.8461546897888184
],
[
1.936204433441162
],
[
1.846647024154663
],
[
1.8317276239395142
],
[
1.936204433441162
],
[
1.9640141725540161
],
[
2.1834428310394287
],
[
1.8461546897888184
],
[
1.8317276239395142
],
[
2.061321973800659
],
[
2.0942223072052
],
[
2.133925437927246
],
[
2.102956771850586
]
] |
[
[
0,
1,
4,
5,
5,
6,
6,
7,
8,
9,
9,
10,
10,
11,
11,
12,
13,
14,
14,
15,
15,
16,
16,
17,
12,
18,
7,
4,
18,
8,
17,
13
],
[
1,
0,
5,
4,
6,
5,
7,
6,
9,
8,
10,
9,
11,
10,
12,
11,
14,
13,
15,
14,
16,
15,
17,
16,
18,
12,
4,
7,
8,
18,
13,
17
]
] |
[
[
1,
0,
1
],
[
1,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
0,
0,
0
],
[
0,
0,
0
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
],
[
3,
0,
1
]
] |
[
0,
0,
1,
2,
3,
3,
3,
3,
4,
4,
4,
4,
4,
5,
5,
5,
5,
5,
4
] |
[
[
2,
27,
3,
4,
5,
6,
26,
7,
8,
29,
9,
10,
11,
12,
13,
14,
15,
24,
16,
31,
17,
18,
19,
20,
21,
22,
30,
23,
28,
25
],
[
4,
7,
27,
6,
3,
26,
2,
5,
10,
25,
29,
12,
9,
14,
11,
24,
13,
28,
18,
23,
31,
20,
17,
22,
19,
30,
16,
21,
8,
15
]
] |
[
[
1.5235364437103271
],
[
1.5246390104293823
],
[
1.510221004486084
],
[
1.5241819620132446
],
[
1.5235364437103271
],
[
1.5246390104293823
],
[
1.510221004486084
],
[
1.5241819620132446
],
[
2.0539121627807617
],
[
2.0654711723327637
],
[
2.0942223072052
],
[
2.158524990081787
],
[
2.0539121627807617
],
[
2.059940814971924
],
[
2.158524990081787
],
[
2.133925437927246
],
[
2.059940814971924
],
[
2.0654711723327637
],
[
1.846647024154663
],
[
1.9640141725540161
],
[
1.8461546897888184
],
[
1.936204433441162
],
[
1.846647024154663
],
[
1.8317276239395142
],
[
1.936204433441162
],
[
1.9640141725540161
],
[
1.8461546897888184
],
[
1.8317276239395142
],
[
2.0942223072052
],
[
2.133925437927246
]
] |
O=C(NCC1CCC1)c1ccnc(-n2ccnc2)c1
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.