Sanitize It Yourself
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Substructure Search
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CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)C1
Ro5
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C[C@@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N1CCOCC1
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CCOC[C@H]1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)C1
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CCc1sc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C
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c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1
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C[C@H]1CN(C(=O)CC[C@H](C)c2ccccc2)C(C)(C)CO1
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C[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)CCO1
Ro5
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CCSc1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cn1
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CC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCOCC1
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CCCCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O
Ro5
PAINS
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Substructure Search
Nearest Neighbor Search
O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1
Ro5
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Cc1ccc(-c2cnc(CCC(=O)N(C)C3CCOCC3)o2)cc1
Ro5
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