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COc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1OC
Ro5
Cc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-]
Ro5
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1
Ro5 PAINS
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1
Ro5
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12
Ro5
COc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl
Ro5
c1cc(-c2nc3c4cn[nH]c4ncn3n2)ccc1COc1ccc2c(c1)CCC2
Ro5
CN(C(=O)c1ccc(Cl)cc1O)C1CCC(=O)CC1
Ro5
CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
Ro5
Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1
Ro5
Cc1cc(N)nc(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)n1
Ro5
Cn1cc(C(N)=O)c(NC(=O)c2ccc3sccc3c2)n1
Ro5
COc1cc2c(cc1O)[C@H](c1cnc(-c3cccc(C)c3)nc1)CC(=O)N2
Ro5
CC(=O)Nc1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)cc1
Ro5
O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F
Ro5
CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OC(C)C)cc1
Ro5 PAINS
C=C[C@](C)(O)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C
Ro5
CC[C@H](C)Sc1nncn1-c1ccccc1C
Ro5
COCC(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21
Ro5
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1
Ro5
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
Ro5
Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cn1)CC2
Ro5
C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)C(=O)[O-]
Ro5
NC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c([N+](=O)[O-])c1
Ro5
CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1
Ro5
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1[C@H]1COc2ccccc2O1
Ro5
CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)c1ccccc1
Ro5
CNC(=O)Cc1nc(C[NH+](C)C2CCC(c3ccccc3)CC2)cs1
Ro5
COCCOc1c(Cl)cccc1NC(=O)Cc1c[nH]c2ccccc12
Ro5
COCCN1[C@@H](C)CN(C(=O)C[NH+](C)C2CC2)C[C@H]1C
Ro5
CSc1nncn1/N=C\c1cc(Cl)ccc1F
Ro5
CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@H]2C1
Ro5
C[C@@H](CCO)SCc1ccccc1OC(F)F
Ro5
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CCC(O)CC1
Ro5
COc1ccccc1CNC(=O)COc1ncnc2oc(C)c(C)c12
Ro5
Fc1ccc(F)c(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)c1F
Ro5
O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC[C@H]1COCCO1
Ro5
CCC[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)C1
Ro5
Cc1nc2ncnn2c(NCCOC2CCCCCC2)c1C
Ro5
C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@H](C)S1
Ro5
COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1
Ro5
CC(C)CCc1noc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)n1
Ro5
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cc(C)cn2)cc1
Ro5
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)C1CC1
Ro5
O=C([C@H]1CCCN1S(=O)(=O)N1CCCCC1)N1CCSCC1
Ro5
Cn1c(=O)c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c2cccnc21
Ro5
COc1ccc(C(=O)N(CC2=CC=C[C@@H]3N=CC=C23)C2CC2)cc1
Ro5
CCc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1
Ro5
c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1
Ro5
O=S(=O)(/N=C(\[O-])c1ccsc1)N1CCCC1
Ro5
Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1
Ro5
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2
Ro5
COc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2C)cc1OC
Ro5
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
Ro5
Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(C)s1
Ro5
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H](O)c1ccccc1
Ro5 MCF
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl
Ro5
Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)c3cccc(C)c3)n2C)cc1
Ro5
Cc1noc(C)c1CCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1
Ro5
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CN2CCOCC2)C1
Ro5
COc1cc(/C=C2\SC([N-]c3cccc(C(=O)[O-])c3)=NC2=O)cc(OC)c1O
Ro5 PAINS
C=CCO[C@H](C)C(=O)Nc1ccc(F)cc1Br
Ro5
O=C(CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccs1
Ro5
CC[NH+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccon3)CC2)C1
Ro5
C[C@H]1C[C@H]([NH+]2CC[C@H](S(=O)(=O)NC3CC3)C2)CC(C)(C)C1
Ro5
CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1
Ro5
COC(=O)[C@]1(NC2CC2)CC[C@H](Sc2ncc(C)cn2)C1
Ro5
COc1ccccc1Nc1nn(CN(C)OC)c(=S)s1
Ro5 MCF
Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\[O-])c2cc(C3CC3)n(C(C)(C)C)n2)c1C
Ro5
CC(C)(O)C#Cc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)s1
Ro5
COc1ccc(OC)c(S(=O)(=O)n2cc3c(=O)n(C)c(=O)n(C)c3n2)c1
Ro5
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)N[C@@H](C)c1ccc(F)cc1F
Ro5 MCF
Cc1nnsc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1
Ro5
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CC[C@@H](C)[C@H](O)C1
Ro5
O=C([O-])[C@H]1CCCCN1C(=O)CSCc1ccccc1
Ro5
Cc1cccc([C@H](O)C[C@@H]2CCCCC[NH2+]2)c1
Ro5
O=C(C1CCCCC1)N1CCN(Cn2cc(Br)cn2)CC1
Ro5 MCF
Cc1ccccc1COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)cc1
Ro5
CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C12CCCCC2
Ro5
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21
Ro5
COc1cc(OC)cc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)c1
Ro5
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1
Ro5 MCF
CCNc1ncc(COc2cccc3ccccc23)s1
Ro5
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C
Ro5
C[C@H]1CC([NH2+][C@@H](C)c2c[nH]c3cc(F)ccc23)C[C@H](C)O1
Ro5
C/C(=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1
Cc1ccc(NC(=O)C[C@H]2SC([N-]c3ccc(N(C)C)cc3)=NC2=O)c(C)c1
Ro5 PAINS
CO[C@H]1CCCC[C@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C
Ro5
Cc1nn(C)c(C)c1CN[C@H]1CCC[NH2+]C1
Ro5
Cc1cc(=O)[nH]c(SCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1
Ro5
COC1CC[NH+](Cn2nc(-c3ccc(C)cc3)n(C)c2=S)CC1
Ro5 MCF
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](OCC2CCCCC2)C1
Ro5
Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1
Ro5
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1
Ro5
Cc1cc(CN2CCN3C(=O)NC[C@@H]3C2)cc(C)c1OC(F)F
Ro5
CCNC(=O)c1cccc(NC(=O)NCCCSC)c1
Ro5
Cn1c(-c2cccc3ccccc23)nn(CN2CCOCC2)c1=S
Ro5 MCF
CCCCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S
Ro5 PAINS
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1
Ro5
CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(CC)s1
Ro5