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Rule of Five (Ro5)
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CC1=C[C@@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1
Ro5
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CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
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COc1ccc(CC[C@H]2C[C@@H](C(C)(C)C)CCC2=O)cc1
Ro5
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C[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)CCO1
Ro5
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Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccs1
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CC(C)(C)OC(=O)NC1CCN(CC(=O)c2nccs2)CC1
Ro5
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COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CN(C2CC2)CCO1
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CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCCC3)c2)n1
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O=C1N(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2
Ro5
MCF
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CC(C)c1nc(C(=O)[O-])nn1-c1ccccc1F
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C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCCCC2)CC1
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CC(C)C[C@H](C[NH+](C)C)Nc1ncncc1N
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O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])n1
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C[NH2+]C1CCC([NH+](C)CC(=O)N[C@H](C)c2ccco2)CC1
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CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@H](C)C1
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CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1
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CCOc1cc(CO)cc(Br)c1OCc1ccccc1F
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O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1
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CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1
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Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1C
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CCCC(=O)N1CCC(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1
Ro5
MCF
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O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1
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CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1
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CC(C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1
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O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1
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Cc1ccc2c(c1)C[C@@H](C[C@@H](C[NH3+])c1ccc(F)cc1)O2
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CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1C
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COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2cnn(C)c2)c1
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COc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cc1
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CCc1cnc(NC(=O)c2cc(C)n(C(C)C)c2C)s1
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COc1ccccc1-c1nc(C[NH+](C)Cc2ccc(C#N)cc2)cs1
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COc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1OC
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CC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccc(C)cc1
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Cc1ccc(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)cn1
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CCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1
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Cc1cccc(-c2nn(C[NH+]3CCCCC3)c(=S)n2-c2ccccc2)c1
Ro5
MCF
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C[NH2+][C@@H](C1CCCC1)[C@@H]1CCc2cccnc21
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Cc1ccc(-c2cccc(F)c2C(=O)[O-])c(C)c1
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CN(C)C(=O)[C@@H](Sc1nnc2n(C)c3ccccc3n12)c1ccccc1
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Cc1ccc(C(=O)NNC(=O)c2ccc(SC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1
Ro5
MCF
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CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21
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Cn1/c(=N/C(=O)c2sccc2S(=O)(=O)N2CCOCC2)sc2ccccc21
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COc1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O
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COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
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C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccn1
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CCOc1ccc(C[NH+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC
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O=C([O-])c1ccc([S@@](=O)Cc2ccc(O)cc2)cc1
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CCc1nn(C)cc1CNC(=O)NCC(C)(C)Cc1ccccc1
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COC(=C(C#N)C#N)c1cccs1
Ro5
MCF
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O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1
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C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2ccco2)CC1
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CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1
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CNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)C1
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COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1
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CN1C[NH+](C)CC2=C1NCNS2(=O)=O
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CNC(=O)c1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1
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COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1OC(F)F
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Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1
Ro5
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CCc1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1
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Cc1ccc2c(c1)CCN2C(=O)c1ccc(C)nc1C
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CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1
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Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)s1
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CCOc1ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F
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C[NH+]1CCC(NC(=O)c2ncoc2-c2ccccc2)CC1
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O=C(NC[C@@H](O)CN1CCCC1=O)Nc1cccc(F)c1
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CC[NH+]1CCC[C@H](NC(=O)c2ccc(OC)c(O)c2)C1
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O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1
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COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2
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Cn1cc(C(=O)Nc2ccc(-n3ccnn3)cc2)c(C(C)(C)C)n1
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Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1C(=O)[O-]
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Clc1ccc([C@H](NCCc2nnc3ccccn23)C2CC2)cc1Cl
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Clc1ccc(OCCCCSc2ncccn2)cc1Cl
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Cn1nnc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21
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Cc1cc(C)cc(-c2nnc(Sc3nc(C(C)C)ns3)o2)c1
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C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1
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CC(C)Nc1cccc(CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)c1
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O=C(COc1ccc(F)cc1F)NC[C@H](O)c1ccccc1Cl
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Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1
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COc1nc(Oc2ccc3ccccc3c2)ccc1N
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O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1
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O=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(F)ccc1O
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CC(C)c1nc(CSCc2ccnn2C)no1
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O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1
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O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(c2ccccc2F)CC1
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Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1C
Ro5
MCF
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C=CCn1c(SCc2nnc([S-])n2-c2ccccc2)nnc1-c1ccccc1
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c1nnn(C23C[C@H]4C[C@H](CC(c5nc6c7cn[nH]c7ncn6n5)(C4)C2)C3)n1
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CCCn1ncnc1COc1ccc(C)nc1C[C@H](C)[NH3+]
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CCSc1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cn1
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C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N
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COc1ccccc1NC(=O)CSc1nnc(C)c(=O)n1N
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Cc1ccc(S(=O)(=O)OCCc2coc3ccccc23)cc1
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COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(F)c1
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CC[C@@H](Oc1ccccc1/C=C1\S/C(=N\c2cccc(O)c2)N(CC)C1=O)C(=O)[O-]
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C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc2c(c1)OCCCO2
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Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1
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CC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(N)=O)cc2)cc1
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O=C([O-])c1ccc(-c2ccncc2)cn1
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O[C@H](c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl
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COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1OC
Ro5
MCF
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