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CC(C)(CCN1CCOCC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
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C=CCSc1nnc2c(n1)OC(C=Cc1ccccc1)N(C(C)=O)c1ccccc1-2
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COC(=O)CSc1nc(N)nc(C)c1Br
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O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCc1ccccc1
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COc1ccc(-n2cc3c(n2)c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc23)cc1
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CSc1ccc(C=C(Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1
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Cc1nc(O)nc2cc(Cl)c(Cl)cc12
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CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
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COc1c(-c2ccc(O)cc2)oc2cc(Cl)ccc2c1=O
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Cc1ccc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1
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CCC[P+](Cc1ccc(Oc2ccc(C[P+](CCC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
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O=c1[nH][nH]c(-c2cccc(Br)c2)c1Cc1c(O)ccc2ccccc12
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O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
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Cc1ccc(-n2ncc3c(O)nc(SC(C)C)nc32)cc1
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CC(N)CCNCCCCN
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COC(=O)C1(Cc2ccccc2)NC(CN(C)S(=O)(=O)c2ccc(F)cc2)C2C(=O)N(Cc3ccccc3)C(=O)C21
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CCCCN1C(=O)CN(CCc2ccccc2)C(=O)C1c1ccc(OC)cc1
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CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c1-3
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CCC(C)N(Cc1sccc1C)C(=O)c1ccc(S(C)(=O)=O)cc1
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COc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C)cc1O
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