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Substructure Search
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Cc1c(/C=N/c2cc(Br)ccn2)c(O)n2c(nc3ccccc32)c1C#N
Ro5
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COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1
Ro5
PAINS
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Substructure Search
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C/C(=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1
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COc1cc(C)c(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1OC
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COc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1Cl
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O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2[O-])o1
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Substructure Search
Nearest Neighbor Search
COc1cccnc1N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1
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Substructure Search
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COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O
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Substructure Search
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COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(C)nn32)cc(OC)c1OC
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Substructure Search
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C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1OC(F)F
Ro5
MCF
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Substructure Search
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COc1ccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC
Ro5
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Substructure Search
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Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1
Ro5
MCF
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