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Rule of Five (Ro5)
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COC[C@H](O)C[NH+]1CCC(C)(C)C1
Ro5
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COC(=O)[C@@H](c1ccccc1Cl)N1CCCSCC1
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O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2O)[nH]n1
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C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(OC(F)F)c1
Ro5
MCF
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CC(C)CN1CCO[C@@H](CNC(=O)/C=C/c2ccnc(Cl)c2)C1
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MCF
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Cc1cc(F)ccc1CCNC(=O)Cc1c[nH]c2c(C)cccc12
Ro5
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NC(=O)[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1
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CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O
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Cc1ccc2nc(NC(=O)c3ccc(OCc4nc(-c5ccco5)cs4)cc3)sc2c1
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COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CC3)n2)CC1
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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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COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C
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Cc1ccsc1C[NH+](Cc1nc2ccccc2n1C(C)C)C[C@H](C)O
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Cc1cccc(CNC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)c1
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C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2cccc(F)c2o1
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COc1cc(OC)c(C(C)=O)cc1CSc1nnnn1-c1ccccc1
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Cc1sc(=O)n(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C
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CC[C@@H]1CCCCN1C(=S)NC(=O)c1ccc(C)cc1
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CCC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1
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COc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1
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C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccc(-n2ccnc2)c1
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CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC[C@H](CO)C2)C1
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CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCS(=O)(=O)C1
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COc1ccccc1NC[C@H]1CCCN(S(C)(=O)=O)C1
Ro5
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COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cc2c1OCO2
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O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
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Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1
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CC(C)(C)[S@](=O)CCNC(=O)c1cccc(F)c1Cl
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C[C@@H](O)c1ccc(F)cc1OCc1nc(C(C)(C)C)cs1
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COC[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(F)c(F)c1
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C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)C1=O
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CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C
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CC[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F
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CO/N=C\C(C#N)=C/c1cccnc1
Ro5
MCF
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CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C
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CC(C)CNC(=O)[C@](C)(N)C(F)(F)F
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C[C@@H](C(=O)C1=c2ccccc2=[NH+]C1)[NH+]1CCC[C@@H]1[C@@H]1CC=CS1
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Cc1nc(Br)ccc1NC(=O)NCc1cnn(C)c1
Ro5
MCF
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COc1c(C)cnc(CNC(=O)Nc2ccc(N(C)C)cc2)c1C
Ro5
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COc1ccc2cc(COC(=O)COc3ccccc3C#N)ccc2c1
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CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1
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COc1ccc([C@@](C)([NH3+])Cc2[nH+]ccn2C)cc1
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C[C@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@@H](C)C1
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O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2F)C1)c1nc[nH]n1
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O=C1CC[C@@H](NC(=O)COc2ccc(Cl)c(Cl)c2)CN1
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Cc1noc(C)c1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1
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N#Cc1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F
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C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C(=O)NC2CC2)C1
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COCc1nc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1
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CCN(Cc1ccc(Br)s1)C(=O)C[NH+](C)CC(=O)[O-]
Ro5
MCF
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O=C([O-])[C@H]1CCCN(c2ccc([O-])nn2)C1
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COc1ccc(CCCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
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Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1
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O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F
MCF
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C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(Cl)s1
Ro5
MCF
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CCOC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O
Ro5
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1
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Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)o1
Ro5
MCF
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COc1ccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC
Ro5
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Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1
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Cc1cccc(C)c1-n1nnnc1CSCc1nnc(C)n1C
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COc1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1
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C[C@H](CCO)[NH2+][C@H]1CCc2c(Br)cccc21
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CCc1ccsc1-c1cnc(C[NH3+])o1
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NC(=O)C1(N2CCCC2)CC[NH2+]CC1
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CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C
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CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(C)c21
Ro5
MCF
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Cc1csc([C@H](C)NC(=O)CCC[NH+]2CCCCC2)n1
Ro5
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CCC(=O)NN/C(C)=C/C(=O)NCC(C)(C)C
Ro5
MCF
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CCC(=O)N1CCC([NH+](C)Cc2ccc(SC)c(OC)c2)CC1
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Clc1ccc(CNc2ncccc2Cl)cn1
Ro5
MCF
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C[C@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1
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Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S
Ro5
MCF
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C#CC(C)(C)NC[C@H]1CN(C)CCO1
Ro5
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C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc2c(c1)OCO2
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O=C(Nc1ccc2ncccc2c1)C(=O)NC1CCC(O)CC1
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CC(C)[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1
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CCC[C@H](C)NC(=O)C[NH2+]Cc1cscc1C
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CS(=O)(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1
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O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccccc1)NC[C@H]1CCCO1
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O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CCc2cc(F)ccc2C1
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C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O
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O=C(COc1ccc(Br)cc1)NOCc1ccccc1
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CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21
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C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NCC1CCCCC1
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C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1
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COc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccco1
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CCC[C@@H](CC)Nc1c(F)c(F)nc(F)c1F
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Oc1cccc([C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CCO2)c1
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COc1ccc([C@H](CNC(=O)c2cccc3ccccc23)[NH+]2CCCC2)cc1
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CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccc(C3SCCCS3)cc1)C2
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Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12
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CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)c1
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COc1ccc(CNC(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2Cl)cc1OC
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CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1
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COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1
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CCNc1ncc(COCC2CCCCC2)s1
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CC[C@H](C)C(=O)Nc1ccccn1
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O=C([O-])CC1=C(C(=O)[O-])CCCC1
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Fc1ccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c(F)c1
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CCc1cc(Cn2cc(N)nn2)n(C)n1
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