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N#Cc1cccnc1Oc1ccccc1NCc1cccc2ccccc12
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O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO
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C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(S(C)(=O)=O)cc1
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CC(C)Oc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)c(F)c1
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COc1ccccc1COC1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1
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CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C
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CCCn1nnnc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O
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CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1
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Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1
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COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Cl)c1)N(C)C2=O
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COCCN1C(=O)CC[C@@H]2C[NH+](Cc3cc(C)ccc3C)CC[C@@H]21
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Cc1cnc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2)s1
Ro5
MCF
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CNC(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1
Ro5
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CNc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)[nH+]c2c1CN(C(C)=O)CC2
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Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2cc3ccccc3o2)n1
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Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2
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c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1
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COc1ccc(-n2nc(C)c3c2C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1
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COc1ccc(OC)c(/C=C/C(=O)OCC(C)C)c1
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C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)C(=O)N(C)C
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Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N
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Cn1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(=O)c2cccn21
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Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccccn2)C1
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Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1
Ro5
MCF
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CC[C@](C)(C[NH3+])[C@H](O)c1ccc2c(c1)OCO2
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CCc1nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br
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CC(=O)Nc1ccc(CN2CC[NH+](C3CCCC3)[C@H](CCO)C2)cc1
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COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@@H](C)SC)cc1
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CCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1
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C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccccc1
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Cc1ccc([C@H]2C3=C(NC(=O)N2C)c2ccccc2C3=O)cc1
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C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1
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Cc1cc(C)cc(O[C@H]2CCCC(C)(C)[C@@H]2O)c1
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Cc1c(-c2nc(-c3cccs3)no2)sc2nc[nH]c(=O)c12
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COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1
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COc1cc(C)c([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC
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C[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(N)c2)C1
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CCCN1C(N)=[NH+]C[C@@H]1c1cc(Cl)c2c(c1)OCO2
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CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1
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Cc1nc(CCC[NH+]2CCC[C@H]2C(N)=O)cs1
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NC(=O)COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
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COc1ccc(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1
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CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C)CC2)CC1=O
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CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[NH+](C)CCN1C
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C[NH+]1CCC(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1
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CCN1CC(=O)Nc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21
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COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2)CC1
Ro5
MCF
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NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
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O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cl
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C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(NC(N)=O)cc1
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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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CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1
Ro5
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ClCCc1nc2cccnc2n1CCn1cccn1
Ro5
MCF
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CC[C@@](C)([C@@H]([NH3+])c1cc(Br)ccc1F)N1CCOCC1
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Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1
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CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(C)(=O)=O)O1
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CC(C)=CC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1
Ro5
MCF
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C[C@]1(O)[C@](C)(O)[C@@H](CO)O[C@](C)(Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@]1(C)O
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O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1
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Cn1nc(NC(=O)c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccccc1
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O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1
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N#Cc1ccc(OCCn2cc(Cl)cn2)cc1
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C[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1
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CC[C@H](C)[C@H](C)[NH2+]Cc1ncccc1F
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C#CC(C)(C)NC(=O)c1ccc(OC)c(O)c1
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COc1cc([N+](=O)[O-])ccc1OCc1nc(-c2cccs2)no1
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CC1CCN(C(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1
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C[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C
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Cn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccncc1
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CC[NH2+]C[C@H](Cc1cscn1)c1cccc(F)c1
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CCCCS(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1
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O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1
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C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)nc1Cl
MCF
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O=C(CCCc1nc2ccccc2s1)N[C@H]1CCOC1=O
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COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2C)cn1C
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Cc1cnn(CC(=O)[C@@H](C#N)c2nc([O-])c3ccc(Cl)cc3n2)c1
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COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-]
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CC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(F)cc1
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Cc1ccc2c(c1)N(C(=O)C[C@H](O)c1ccc(Cl)cc1)CC2
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O=c1[nH]cnc2c1[nH]c(=S)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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Cc1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1CCCc3ccccc31)C2
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CC(=O)c1cc(CN2CCC3=NN=C(c4ccccc4F)[C@@H]3C2)cs1
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C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H](C)CO
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COCCn1nc(C)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1C
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CCCCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[NH+](C)C2)cc1
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Fc1ccc(Oc2ccnc(Sc3nnc(-c4cccs4)o3)n2)cc1
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N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
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CC[C@@H](C)n1nccc1NC(=O)C(=O)N1CCc2cc(F)ccc2C1
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Cc1ccc(-c2cnc(CCC(=O)N(C)C3CCOCC3)o2)cc1
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C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)Oc1ccc(F)cc1
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CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(C)(=O)=O)sc2ccccc12
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Cc1ccc(C(=O)Cc2cccc(O)c2)cc1
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Cc1ccccc1-c1nn(CN2CCCc3ccc(S(C)(=O)=O)cc32)c(=S)o1
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MCF
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CCOc1cccc([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2F)c1
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CC[C@@H]1CCCCCN1C(=O)c1cnc2sc(C)cn2c1=O
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N#Cc1ccc(OCC(=O)NCc2cccc(CO)c2)cc1
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O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1
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CC1(C)CCC(O)(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1
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Invalid SMILES: COc1ccc(-c2nnc(SCC(=O)c3ccc(BC3(CCC3)C2)CC1
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Invalid SMILES: Cc1cccc([C@H](CCl)CCC[C@@H]2CCCO2)c1r)cc3)o2)cc1OC
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