| SMILES,Ki | |
| CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)[C@H](c2ccccc2)O1,-0.8000293592441343 | |
| Cc1cc(Br)ccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-1.599992177584098 | |
| Cc1ccc(Cl)c(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c1,-1.8000293592441343 | |
| Cc1ccc(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(C)c1,-2.099991233544684 | |
| CC1(C)OC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccccc2)O1,-1.8000293592441343 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2I)[C@H](c2ccccc2)O1,-1.899984562549391 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)O1,-1.899984562549391 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2F)[C@H](c2ccccc2)O1,-2.60000308662774 | |
| COc1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-3.4000006169763797 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)O1,-2.0 | |
| CC(C)c1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1,-3.4000006169763797 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1,-1.7000110623221123 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1,-1.899984562549391 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1,-2.0 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2Cl)[C@H](c2ccccc2)O1,-1.4000196350651586 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccnc2)[C@H](c2ccccc2)O1,-2.500003068051693 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1,-1.899984562549391 | |
| CC1(C)OC[C@H](/N=C(\S)Nc2ccccc2Br)[C@H](c2ccccc2)O1,-2.60000308662774 | |
| CC1(C)OC[C@H](/N=C(\S)Nc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,-2.300008202553813 | |
| CC1(C)OC[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1,-2.300008202553813 | |
| CC1(C)OC[C@H](NC(=O)Oc2ccccc2Cl)[C@H](c2ccccc2)O1,-3.1999991251967965 | |
| CC1(C)OC[C@H](NC(=O)Cc2ccccc2Br)[C@H](c2ccccc2)O1,-3.1999991251967965 | |
| Cc1ccc(/N=C(\NC#N)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(Br)c1,-3.100001582801352 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccccc2)[C@H](c2ccccc2)O1,-2.7000023971422538 | |
| CC1(C)OC[C@H](NC(=O)Nc2cccc(Br)c2)[C@H](c2ccccc2)O1,-3.0 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2)O1,-2.400002345927956 | |
| CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1,-0.7276496815658574 | |
| Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,0.0969100130080563 | |
| Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21,0.6989700043360187 | |
| Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1,1.0 | |
| Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C,1.0457574905606752 | |
| Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1,0.6989700043360187 | |
| O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2o1,-0.9030899869919436 | |
| O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1,-0.3010299956639812 | |
| Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,-0.3010299956639812 | |
| Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc21,0.5228787452803376 | |
| O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-1.041392685158225 | |
| O=C(Nc1ccccc1-c1ccccc1F)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.4771212547196624 | |
| COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.3010299956639812 | |
| O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1,-0.7781512503836436 | |
| O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-0.4771212547196624 | |
| O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-1.041392685158225 | |
| O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-2.447158031342219 | |
| O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,0.2218487496163563 | |
| O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CSc1nc2ccccc2[nH]1,-2.7481880270062 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1,0.2218487496163563 | |
| O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2,-1.6232492903979006 | |
| C=CCCCc1ccc2cc(N3CCCN(C(=O)c4cc(CC=C)ccc4-n4nccn4)CC3)ccc2c1,-2.0791812460476247 | |
| Cc1ccc(-n2nccn2)c(CN2CCCN(c3ncc4ccccc4n3)CC2)c1,-2.380211241711606 | |
| O=C(C1CCCCC1)N1CCCN(c2ncc3ccccc3n2)CC1,-2.7403626894942437 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1,-0.3010299956639812 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1,0.6989700043360187 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(C2)N(c2ncc4ccccc4n2)C3)c1,-0.3521825181113625 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CN(c2ncc4ccccc4n2)C3)c1,-1.041392685158225 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CC2CN3c2ncc3cc(F)ccc3n2)c1,-2.4149733479708178 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC2CCN3c2ncc3cc(F)ccc3n2)c1,-3.5440680443502757 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1,0.4436974992327127 | |
| C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0.7328282715969863 | |
| C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0.6020599913279624 | |
| C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1,0.5528419686577808 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4ccccc4o3)CC[C@H]2C)c1,-0.505149978319906 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,0.3132967151551489 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1,-0.5502283530550941 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1,0.0969100130080563 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1,-3.2999994961169836 | |
| Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2cccnc2)c1,-3.2999994961169836 | |
| Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccco1,-3.1999991251967965 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1,-3.0 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1,-3.0 | |
| Cc1occc1-c1nnc(SCC(=O)NN2CCc3ccccc32)n1Cc1ccco1,-3.0 | |
| Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)C2CNCCN2)c1,-2.800001827817969 | |
| Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c(C)c1,-2.7000023971422538 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1Cc1ccco1,-2.7000023971422538 | |
| COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,-2.7000023971422538 | |
| Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-2.60000308662774 | |
| Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)s1,-2.60000308662774 | |
| Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2ccccn2)c1,-2.60000308662774 | |
| CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-2.500003068051693 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2cccc(-c3ccc4c(c3)OCO4)c2)n1Cc1ccco1,-2.400002345927956 | |
| COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-2.300008202553813 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccco1,-2.200001865406602 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1Cc1ccco1,-2.200001865406602 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccco1,-2.0 | |
| Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1,-2.0 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccco1,-1.8000293592441343 | |
| Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-1.7000110623221123 | |
| Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1,-1.599992177584098 | |
| Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-1.599992177584098 | |
| CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1,-1.4999618655961902 | |
| COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1,-1.2000292665537704 | |
| Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1C,-0.4000196350651585 | |
| Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1,-0.2000292665537703 | |
| Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1,0.2068734338814579 | |
| O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,-0.7000110623221123 | |
| O=C(CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,-1.299942900022767 | |
| O=C(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1,-1.4999618655961902 | |
| CN(C[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)C(=O)c1ccc(F)cc1,-3.100001582801352 | |
| O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1,-1.299942900022767 | |
| O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1F,0.100015437450609 | |
| O=C(c1cccc2ccccc12)N1CCCC[C@H]1CCOc1ccc(F)cc1,-2.099991233544684 | |
| O=C(c1ccccc1-c1ccccc1)N1CCCCC1CCOc1ccc(F)cc1,-1.299942900022767 | |
| N#Cc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,-2.800001827817969 | |
| COc1cccc(C(=O)N2CCCCC2CCOc2ccc(Cl)c(Cl)c2)c1,-2.7000023971422538 | |
| COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,0.1549019599857432 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4ccccc4-c4nc(C)no4)C3=O)CC2)n1,-0.8450980400142568 | |
| Cc1noc(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1,-1.3979400086720375 | |
| Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1,-2.110589710299249 | |
| CN(C)c1ccc(NC(=O)Nc2ccnc3c(F)ccc(F)c23)cc1,-2.7015679850559273 | |
| [3H]c1ccc(CN(CC)C(=O)CN(c2ccc(OC([3H])([3H])[3H])nc2)S(=O)(=O)c2ccccc2C)cn1,-0.041392685158225 | |
| [3H]c1cccc([3H])c1-c1nnc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccccc2F)o1,-2.110589710299249 | |
| Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1,-0.7558748556724915 | |
| Cc1cc(C)nc(N2CC[C@@H]3CN(C(=O)c4cc(F)ccc4-n4nccn4)[C@H]3C2)n1,-1.255272505103306 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.6020599913279625 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3nccc4ccccc34)OC[C@H]2C)c1,-0.146128035678238 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1,-0.919078092376074 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1,-1.591064607026499 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1,-0.3222192947339193 | |
| CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,-0.8027737252919757 | |
| COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1,-0.0 | |
| COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F,-0.3010299956639812 | |
| Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-0.6989700043360189 | |
| COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1,-0.0 | |
| COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F,-0.3010299956639812 | |
| COc1ccc([C@]2(COc3cnc(C)nc3C)C[C@H]2C(=O)Nc2ccc(F)cn2)cc1F,-0.8450980400142568 | |
| O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.2700030001050595 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,-0.6600112212893308 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)cc4-c4ccccc4)C3=O)CC2)n1,-1.2400497721126476 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1,-0.070037866607755 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]cc4-c4ccccc4)C3=O)CC2)n1,-0.5899496013257077 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ncccc45)C3=O)CC2)n1,-1.2100508498751372 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]c5ccccc45)C3=O)CC2)n1,-0.8399805576783427 | |
| COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1,0.7798919119599449 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4cn(C)c5ccccc45)C3=O)CC2)n1,-1.319938439980309 | |
| Cc1cc(C)nc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-0.8399805576783427 | |
| COc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-1.1501421618485586 | |
| Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-1.4300750555519393 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2,-2.7399993094019677 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2,-2.490000641890952 | |
| O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.8470170979353544 | |
| O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12,-0.4886916983169406 | |
| Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1,0.0700194094844853 | |
| O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12,0.1375406374712825 | |
| Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1,-1.1595671932336202 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,1.154901959985743 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,0.2218487496163563 | |
| COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)cnc2-c2cccnc2)cc1OC,-0.1139433523068367 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2-c2cccnc2)cc1OC,-2.08278537031645 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(F)cc(F)c3)cnc2-c2cccnc2)cc1OC,-0.919078092376074 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cccnc2)cc1OC,0.0969100130080563 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC,0.1549019599857432 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2)c1,-0.6127838567197355 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1,-1.255272505103306 | |
| COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1,-1.6074550232146685 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1,-0.6812412373755872 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1,-1.3424226808222062 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1,-1.8948696567452523 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1,-0.4771212547196624 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)c1,-2.7634279935629373 | |
| Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)OCO4)c2)c1,-1.230448921378274 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1,0.6989700043360187 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](CCc3ccc(F)cn3)CC[C@H]2C)c1,-1.414973347970818 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1,-0.041392685158225 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccccn3)CC[C@H]2C)c1,-1.041392685158225 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3)CC[C@H]2C)c1,-1.6127838567197357 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccncc3)CC[C@H]2C)c1,-0.8450980400142568 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3O)CC[C@H]2C)c1,-1.380211241711606 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cnccc3O)CC[C@H]2C)c1,-0.8750612633917001 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)cn3)CC[C@H]2C)c1,-2.113943352306837 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)n3)CC[C@H]2C)c1,-0.7481880270062005 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cc(CO)ccn3)CC[C@H]2C)c1,-1.6232492903979006 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(CO)nc3)CC[C@H]2C)c1,-2.1760912590556813 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cncc(CO)c3)CC[C@H]2C)c1,-1.505149978319906 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccnc(CO)c3)CC[C@H]2C)c1,-1.3979400086720375 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1,0.2757241303992109 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1,-1.6901960800285136 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1,-0.568201724066995 | |
| Cc1nn(C)c2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)ncc12,-1.9637878273455551 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1,0.2218487496163563 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1,0.3010299956639812 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1,0.6989700043360187 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)coc4n3)CC[C@H]2C)c1,-0.6989700043360189 | |
| Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,-1.3979400086720375 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1,0.1549019599857432 | |
| C[C@@H]1CCN(c2nc(N)c3ccsc3n2)CCN1C(=O)c1ccccc1-n1nccn1,-0.9637878273455552 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1,0.3979400086720376 | |
| Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1,-0.1760912590556812 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1,0.5228787452803376 | |
| Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12,-0.0791812460476248 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,0.5228787452803376 | |
| COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,-1.6334684555795866 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,0.2146701649892329 | |
| COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2-c2ccccc2)nc1OC,-0.146128035678238 | |
| COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)ncc2-c2ccccc2)nc1OC,-1.041392685158225 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2-c2ccccc2)nc1OC,-1.041392685158225 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2ccccc2)nc1OC,0.5228787452803376 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC,-0.9542425094393248 | |
| COc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC,-2.146128035678238 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccc2F)nc1OC,-0.146128035678238 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,0.0433514207947966 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC,-0.146128035678238 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC,-0.8808135922807914 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccnnc2)nc1OC,-2.285557309007774 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cncc(F)c2)nc1OC,-0.7160033436347992 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCOCC2)nc1OC,-1.8750612633917 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC,-0.6532125137753437 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC,-1.0 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnn(C)c2)nc1OC,-0.6127838567197355 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,-0.010723865391773 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2ccccc2)cc1OC,-3.9372168908627057 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2CNc2ccccc2)cc1OC,-3.6259294927162946 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccc2)cc1OC,-0.8573324964312685 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)NC2CCCCC2)cc1OC,-3.894648303793517 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N(C)c2ccccc2)cc1OC,-3.67015304519218 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-1.5563025007672873 | |
| O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1,-2.9854264740830017 | |
| COc1ccc([C@]2(COc3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-2.110589710299249 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1,-2.7693773260761385 | |
| COc1cccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c1,-3.123851640967086 | |
| COCc1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)ccc1OC,-2.584331224367531 | |
| COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC,-3.5232260419657013 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)cc1OC,-1.7075701760979365 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)cc1OC,-1.9294189257142929 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC,-1.5440680443502757 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2nc(C)cs2)cc1OC,-1.146128035678238 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)on2)cc1OC,-1.4471580313422192 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)cc1OC,-1.4313637641589874 | |
| COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C#N)ccn2)cc1OC,-1.5314789170422551 | |
| COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12,0.619788758288394 | |
| C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C,-2.568201724066995 | |
| C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1,0.0969100130080563 | |
| C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cnn[nH]1,-0.041392685158225 | |
| C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1,-1.7993405494535817 | |
| CC1CCC(Oc2ccnc3c(Cl)cccc23)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751 | |
| CC1CCC(Oc2ccnc3c(Br)cccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.414973347970818 | |
| CC1CCC(Oc2ccnc3ccc(Br)cc23)CN1C(=O)c1ccccc1-n1nccn1,-0.7160033436347992 | |
| CC1CCC(Oc2c(Br)cnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-2.255272505103306 | |
| CC1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-2.173186268412274 | |
| Cc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1,-1.4608978427565478 | |
| CC1CCC(Oc2cccc3cccnc23)CN1C(=O)c1ccccc1-n1nccn1,-0.9912260756924948 | |
| CC1CCC(Oc2cccc3ncccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.7075701760979364 | |
| CC1CCC(Oc2ccnc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.8325089127062363 | |
| CC1CCC(Oc2cccc3ccncc23)CN1C(=O)c1ccccc1-n1nccn1,-0.9684829485539352 | |
| CC1CCC(Oc2cccc3cnccc23)CN1C(=O)c1ccccc1-n1nccn1,-0.8750612633917001 | |
| C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,0.6882461389442457 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1,-0.0 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1,-1.255272505103306 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3ccc(F)c(C)c3)C2)c1,-1.740362689494244 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)c(C)c3)C2)c1,-1.095169351431755 | |
| C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.5797835966168101 | |
| C[C@@H]1CC[C@@H](Oc2cc(N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.6532125137753437 | |
| C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751 | |
| CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.6989700043360187 | |
| COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.1139433523068367 | |
| C[C@@H]1CC[C@@H](Oc2cc(I)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.3979400086720376 | |
| C[C@@H]1CC[C@@H](Oc2cc(Br)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.255272505103306 | |
| C[C@@H]1CC[C@@H](Oc2cc(Cl)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.146128035678238 | |
| C[C@@H]1CC[C@@H](Oc2cc(F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.5910646070264992 | |
| C[C@@H]1CC[C@@H](Oc2cc(C(=O)N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.8129133566428556 | |
| COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.5910646070264992 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2041199826559248 | |
| C#Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.2218487496163563 | |
| C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.6989700043360187 | |
| CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,0.2218487496163563 | |
| C[C@@H]1CC[C@@H](Oc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-3.380211241711606 | |
| Cc1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,-2.79309160017658 | |
| Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1,-0.414973347970818 | |
| Cc1ccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1,-0.414973347970818 | |
| Cc1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)n1,-0.8808135922807914 | |
| COc1cccc(OC)c1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,-1.3979400086720375 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,0.3010299956639812 | |
| Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,-0.6020599913279624 | |
| Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.6020599913279624 | |
| Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.4771212547196624 | |
| Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.9030899869919436 | |
| Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,0.3273480771599975 | |
| Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-1.230448921378274 | |
| COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F,-0.7781512503836436 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1,-0.6020599913279624 | |
| Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1,-1.462397997898956 | |
| Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1,-1.5314789170422551 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1,-0.3010299956639812 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccc(F)n2)c(C)n1,-1.7481880270062005 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,-0.8450980400142568 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccncc2)c(C)n1,-2.2121876044039577 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)c(C)n1,-1.6989700043360187 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)c(C)n1,-1.9030899869919435 | |
| COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,-0.9542425094393248 | |
| Cc1cnc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-1.3222192947339193 | |
| CCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1,-0.8450980400142568 | |
| Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-1.6901960800285136 | |
| Cc1nn(C)cc1OCC1(c2ccccc2)CC1C(=O)Nc1ccc(C#N)cn1,-2.3096301674258988 | |
| Cc1ccc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1,-2.346352974450639 | |
| Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1,-1.4771212547196624 | |
| CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1,-0.6020599913279624 | |
| Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(-c2ccccc2)s1,-1.6434526764861874 | |
| O=C(c1ccccc1-c1ncccn1)N1C2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,-2.756636108245848 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2,-2.903089986991944 | |
| O=C(c1ccccc1-c1ncccn1)N1CC2CCC1[C@H](Nc1cnc(C(F)(F)F)cn1)C2,-2.2764618041732443 | |
| C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1,-2.3443922736851106 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-2.749736315569061 | |
| O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1,-0.6532125137753437 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(C)n3)CC[C@H]2C)c1,-0.2041199826559248 | |
| COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C(F)(F)F,-0.1760912590556812 | |
| Cc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,-1.041392685158225 | |
| COc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F,-0.7993405494535817 | |
| C[C@@H]1CCN(c2nc(Cl)ncc2C(F)(F)F)CCN1C(=O)c1ccccc1-n1nccn1,-3.041392685158225 | |
| Cc1ncc(C(F)(F)F)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.6232492903979 | |
| Cc1cnc(Cl)nc1N1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)CC1,-2.8808135922807914 | |
| Cc1ncc(C)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.5563025007672873 | |
| C[C@@H]1CCN(c2nc(Cl)ncc2Cl)CCN1C(=O)c1ccccc1-n1nccn1,-2.929418925714293 | |
| Cc1ncc(Cl)c(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1,-3.255272505103306 | |
| C[C@@H]1CCN(c2ncc(C(F)(F)F)c(Cl)n2)CCN1C(=O)c1ccccc1-n1nccn1,-0.7075701760979364 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C(F)(F)F)c(Cl)n3)CC[C@H]2C)c1,0.1549019599857432 | |
| COc1nc(N2CC[C@@H](C)N(C(=O)c3cc(C)ccc3-n3nccn3)CC2)ncc1C,-1.146128035678238 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C)c(Cl)n3)CC[C@H]2C)c1,-0.5910646070264992 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(Cl)c(C)n3)CC[C@H]2C)c1,-0.785329835010767 | |
| COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1,-2.886490725172482 | |
| COc1ccc(CNC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1,-1.919078092376074 | |
| C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)n[nH]c2n1)c1ccccc1,-1.6334684555795866 | |
| C[C@H](NC(=O)CNc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,-3.0549958615291417 | |
| Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,-1.0 | |
| Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1,-1.3424226808222062 | |
| C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccn3)nn(C)c2n1)c1ccccc1,-2.5646660642520893 | |
| Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccn4)nn(C)c3n2)cc1,-0.6989700043360189 | |
| Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnccn4)nn(C)c3n2)cc1,-1.1760912590556811 | |
| Cc1cc2c(cn1)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2,-1.968482948553935 | |
| C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1,-2.03342375548695 | |
| Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1,-2.7218106152125467 | |
| Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(-c3ccccc3)nn(C)c2n1,-1.7708520116421442 | |
| COc1ccccc1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1,-2.198657086954422 | |
| COc1cccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1,-1.414973347970818 | |
| CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1cccnc1,-2.7649229846498886 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1,-2.0170333392987803 | |
| Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-2.8920946026904804 | |
| O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,-2.788168371141168 | |
| CCOc1nc(C)ccc1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.250420002308894 | |
| O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-4.0 | |
| Cc1noc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)n1,-2.0253058652647704 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(Cl)cc4-n4nccn4)CC3C2)n1,-1.255272505103306 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3nccnc3c1)CC2,-2.79309160017658 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1I,-3.3979400086720375 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1,-0.1139433523068367 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1,-2.037426497940624 | |
| Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,-1.380211241711606 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)n1,-1.7481880270062005 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cncn4)CC3C2)n1,-3.1024337056813365 | |
| CCOc1ccc2ccccc2c1C(=O)N1CCC2CN(c3nc(C)cc(C)n3)C2C1,-0.7781512503836436 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1,-3.9541942518158626 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,-2.9355072658247128 | |
| Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1903316981702914 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)CC3C2)n1,-2.0492180226701815 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCF)cc1-n1nccn1,-1.5440680443502757 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1cccnn1,-3.041392685158225 | |
| O=C1N(Cc2cccc(-n3cccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4345689040341987 | |
| Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)cn1,-2.534026106056135 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C#N)cc1-n1nccn1,-3.133858125203335 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C)C3)n1,-2.305351369446624 | |
| COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-2.832508912706236 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nnc(-c3ccccc3)s1)CC2,-2.895422546039408 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.5185139398778875 | |
| O=C(c1ccccc1-n1cccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.561101383649056 | |
| Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-0.6232492903979004 | |
| Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.8976270912904414 | |
| COc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6989700043360187 | |
| O=C(c1cc(F)ccc1-n1nccn1)C1CC[C@H]2CN(c3cnnc(Cl)c3)[C@H]2C1,-3.146128035678238 | |
| O=C1N(Cc2noc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.294466226161593 | |
| O=C(c1c(O)ccc2cccnc12)N1C2CCC1C(COc1ccccn1)C2,-2.895422546039408 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1,-4.0 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-2.257678574869185 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C)c1C,-0.8450980400142568 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncnc3[nH]ccc13)CC2,-2.3783979009481375 | |
| Cc1cc(C(C)(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.5563025007672873 | |
| O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.4471580313422192 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-1.0 | |
| Cc1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(=O)[nH]1,-4.0 | |
| CCOc1nccc(Br)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.161368002234975 | |
| O=C1N(Cc2ccc(-n3cncn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.1983821300082944 | |
| Cc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.8976270912904414 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-n4nccn4)CC3C2)n1,-2.385606273598312 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-2.089905111439398 | |
| O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,-1.5185139398778875 | |
| COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-3.1760912590556813 | |
| Cc1nc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)no1,-1.6989700043360187 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4F)CC3C2)n1,-3.356790460351716 | |
| Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,-2.342422680822206 | |
| Cc1ccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-1.863322860120456 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cc[nH]n4)C[C@@H]32)n1,-1.1760912590556811 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)n1,-2.531478917042255 | |
| Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1,-3.380211241711606 | |
| COc1cc(Br)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)cc1OC,-4.0 | |
| Cc1ccoc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-4.0 | |
| Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)c1,-2.9777236052888476 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1,-2.0791812460476247 | |
| Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)on1,-3.14050804303818 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncc2)C3)n1,-3.863322860120456 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cnc2C)C3)c1,-2.561101383649056 | |
| COc1ccccc1S(=O)(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-3.643353961976863 | |
| O=C(c1ccccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.230448921378274 | |
| Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-3.792391689498254 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.5185139398778875 | |
| O=C(c1ccccc1-c1ccc(F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.7596678446896306 | |
| Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-2.3502480183341627 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2c(F)cccc2-n2nccn2)n1,-2.847572659142112 | |
| O=C(c1ccccc1-n1cccc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.869231719730976 | |
| O=C(c1ncccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.278753600952829 | |
| O=C1N(Cc2ccccc2-n2cccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.9148718175400505 | |
| Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1C,-1.3979400086720375 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1,-1.845098040014257 | |
| C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-1.9912260756924949 | |
| Cc1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1,-2.9703468762300935 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,-1.7853298350107671 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-1.4471580313422192 | |
| O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.093421685162235 | |
| Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1-n1nccn1,-2.8656960599160706 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-2.711807229041191 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)n1,-1.1760912590556811 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1,-1.9637878273455551 | |
| CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.977723605288848 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(C(N)=O)ccc1-n1nccn1,-2.1271047983648077 | |
| O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12,-3.2942457161381182 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2,-2.250420002308894 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.845098040014257 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,-2.7403626894942437 | |
| COc1ccccc1-n1ccnc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-3.204119982655925 | |
| COc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-3.681241237375587 | |
| O=C1N(Cc2ccccc2-n2nccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.591064607026499 | |
| CN(C)c1nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)cc(C(F)(F)F)n1,-1.1760912590556811 | |
| C[C@@H]1CS[C@@H](COc2ccc(C(F)(F)F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.8195439355418688 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,-2.502427119984433 | |
| Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,-2.832508912706236 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4Cl)CC3C2)n1,-2.404833716619938 | |
| CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-1.57978359661681 | |
| COCc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-1.9822712330395684 | |
| C[C@@H]1CS[C@@H](COc2ccc(C#N)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.6720978579357175 | |
| N/N=C(/CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)Nc1ccccc1,-2.8603380065709936 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1,-1.7708520116421442 | |
| O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc12,-2.0211892990699383 | |
| Cc1nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)nc(C)c1C,-1.3979400086720375 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.8847953639489807 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1Cl,-0.4771212547196624 | |
| COc1ccccc1S(=O)(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.255272505103306 | |
| O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.0492180226701815 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1nscc1-n1nccn1,-1.9731278535996983 | |
| COc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-3.113943352306837 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4Br)C[C@@H]32)n1,-2.278753600952829 | |
| O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.03342375548695 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)ncc1F,-1.2787536009528289 | |
| O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-2.204119982655925 | |
| COc1cccc(OC)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.187520720836463 | |
| Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,-3.4913616938342726 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(C)ccc4-n4nccn4)CC3C2)n1,-2.0453229787866576 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-2.6283889300503116 | |
| Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.204119982655925 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4F)CC3C2)n1,-1.3222192947339193 | |
| O=C(c1cncc2ccccc12)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.322219294733919 | |
| CCOc1ccccc1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,-2.890979596989689 | |
| CCc1c(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc1C,-1.0 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)c1,-1.8512583487190752 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,-2.991226075692495 | |
| COc1ccccc1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-3.2581581933407944 | |
| O=C(O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-4.0 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2,-2.7193312869837265 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.041392685158225 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-n1nccn1,-0.7708520116421442 | |
| Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.24551266781415 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.7634279935629371 | |
| CCc1c(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc1C,-1.6232492903979006 | |
| Cc1ccc(C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c(C)c1,-3.3246939138617746 | |
| COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-1.863322860120456 | |
| CN1CCc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.803457115648414 | |
| Cn1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc21,-1.462397997898956 | |
| CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.009450895798694 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2)C3)n1,-3.380211241711606 | |
| Cc1cc(OCC2COCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,-1.041392685158225 | |
| Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)cn1,-2.5563025007672873 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,-1.9138138523837167 | |
| CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.6532125137753435 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.230448921378274 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OCCO)cc1-n1nccn1,-4.037027879755775 | |
| COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.7044936970092985 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.591064607026499 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.6812412373755872 | |
| Cc1ccc(-c2ccccc2C(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)cc1,-1.6434526764861874 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1F,-1.2787536009528289 | |
| O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4800069429571505 | |
| Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-2.060697840353612 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)CC3C2)n1,-1.57978359661681 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4ccnn4)CC3C2)n1,-2.459392487759231 | |
| O=C(c1ccccc1-n1nccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.3010299956639813 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1,-1.9084850188786495 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-0.9867717342662448 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.9956351945975497 | |
| Cc1cc(N2CCOCC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.4913616938342726 | |
| Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.9777236052888476 | |
| O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.0863598306747484 | |
| COc1cc(Cl)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.5588285248170117 | |
| Cc1nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)cc(=O)[nH]1,-4.0 | |
| COc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1,-2.2380461031287955 | |
| Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)nc(C)c1C,-0.8450980400142568 | |
| COc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,-3.3585059114902354 | |
| CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.690196080028514 | |
| Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,-3.05307844348342 | |
| COc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,-3.875119165462568 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.2380461031287955 | |
| O=C1C(Cc2c[nH]c3ccccc23)NCCC12CCN(c1nccc(-n3cccn3)n1)CC2,-1.505149978319906 | |
| Cc1ccc2nc(N3CC4CN(C(=O)c5ccccc5-c5ccccc5)CC4C3)sc2c1,-3.4163075870598827 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.7242758696007892 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-1.2041199826559248 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.361727836017593 | |
| N#Cc1ccc(F)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1522883443830563 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,-2.225309281725863 | |
| Cc1cccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-1.7708520116421442 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-2.3483048630481607 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.089905111439398 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-2.342422680822206 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4ccnn4)CC3C2)n1,-3.5036545192429593 | |
| Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)o1,-0.8450980400142568 | |
| COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)cc1OC,-3.9770831203158528 | |
| O=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.595496221825574 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(NC4CC4)ncn3)[C@H]2C1,-2.8129133566428557 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4OCCCO5)CC3C2)n1,-2.4424797690644486 | |
| Cc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1,-3.4913616938342726 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2,-1.3617278360175928 | |
| CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(OC)n3)CC2C1,-1.9030899869919435 | |
| Cc1ccnc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.5563025007672873 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,-2.110589710299249 | |
| COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.838849090737255 | |
| COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)c1,-3.255272505103306 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.015778756389041 | |
| COc1ccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)nc1,-2.954724790979063 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,-3.869173027321683 | |
| O=C(c1cccc2c1OCCO2)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.546542663478131 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,-1.3424226808222062 | |
| O=C1N(Cc2ccccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.9206450014067875 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.870403905279027 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3C2)n1,-2.655138434811382 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cnccc4-n4ccnn4)CC3C2)n1,-4.0 | |
| O=C1N(Cc2cccc(-c3cnccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.3617278360175928 | |
| Cc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.792391689498254 | |
| Cc1cc(-n2cccn2)nc(N2CCC3(CCNC(Cc4c[nH]c5ccccc45)C3=O)CC2)n1,-2.5352941200427703 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)ncc1Cl,-1.0 | |
| Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12,-1.146128035678238 | |
| Cn1ncc(-c2ccccc2)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.462397997898956 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.4099331233312946 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4Br)C[C@@H]32)n1,-3.113943352306837 | |
| C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-2.6020599913279625 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncco4)CC3C2)n1,-1.230448921378274 | |
| Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccc(F)cc3-n3nccn3)C[C@@H]21,-4.0 | |
| O=C(c1ccccc1-c1ccccc1)N1CCC2CN(c3nc4ccccc4o3)C2C1,-2.146128035678238 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cncc(C)n4)CC3C2)c1,-2.376576957056512 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4nccn4)C[C@@H]32)n1,-2.3010299956639813 | |
| Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4nccc(-c5ccccc5)n4)C3C2)c1,-3.0277572046905536 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,-4.0 | |
| COc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.6232492903979006 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@H]32)n1,-3.1760912590556813 | |
| Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.380211241711606 | |
| COc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)C2C1,-3.3832766504076504 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cnnc4)CC3C2)n1,-4.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,-1.57978359661681 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)C3C2)c1,-2.2833012287035497 | |
| Cc1ccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-2.9190780923760737 | |
| Cc1nc(-c2ccccc2C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)no1,-0.6532125137753437 | |
| O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.7781512503836436 | |
| COc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.146128035678238 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-2.2648178230095364 | |
| Cc1nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)nc(C)c1C,-1.041392685158225 | |
| O=C1N(Cc2cccc3nsnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9138138523837167 | |
| Cc1ccnc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.7075701760979363 | |
| COc1cc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2ccnn2)cc1OC,-4.0 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-3.0 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-1.9395192526186185 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.6989700043360187 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(OC(F)F)cc1-n1nccn1,-1.8976270912904416 | |
| COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1,-2.423245873936808 | |
| COc1c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)ccc2ccccc12,-3.182129214052998 | |
| O=C1N(Cc2ccc3c(c2)OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.6009728956867484 | |
| CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,-1.3424226808222062 | |
| O=C(c1cccc(F)c1I)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.869173027321683 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc(F)cn3)CC2C1,-2.631443769013172 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(F)(F)F)cn2)C3)n1,-2.621176281775035 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.4313637641589874 | |
| COc1ccc(C(=O)N2CC3CN(c4cccc(C)n4)CC3C2)c(OC)c1,-3.9541942518158626 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1,-1.255272505103306 | |
| O=C1N(Cc2ccccc2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-3.0281644194244697 | |
| Cc1cccc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-1.863322860120456 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,-2.8549130223078554 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.6020599913279625 | |
| Cc1ccc(-c2cc(F)ccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)nc1,-2.230448921378274 | |
| Cc1cncc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.6434526764861874 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,-1.3617278360175928 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)nn1)C2,-3.690196080028514 | |
| O=C(c1ccccc1-c1cccc(F)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.130333768495006 | |
| CN(C)c1nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)cc(C(F)(F)F)n1,-1.2041199826559248 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3C2)n1,-3.344588742578714 | |
| COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)n1,-2.57978359661681 | |
| CCOc1ccccc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.7403626894942437 | |
| O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.838849090737255 | |
| CCOc1cccc(OCC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.503790683057181 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC32)n1,-2.593286067020457 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.0791812460476247 | |
| Cc1cc(C)n(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1,-3.0802656273398448 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4I)CC3C2)n1,-1.7160033436347992 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,-3.113943352306837 | |
| CCOc1ncc(Br)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.7299742856995555 | |
| O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ncccc12,-2.606381365110605 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.1522883443830563 | |
| Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C)n1,-3.6989700043360183 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,-2.4983105537896004 | |
| Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cccc(F)c3-n3nccn3)C[C@@H]21,-4.0 | |
| O=C1N(Cc2ccnc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.919078092376074 | |
| Cc1oc(-c2cscn2)nc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.919601023784111 | |
| COc1ccc(C(C)(C)C)cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-4.0 | |
| C[C@@H]1C[S+](O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-2.230448921378274 | |
| COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.0791812460476249 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.0791812460476247 | |
| O=C1N(Cc2ccccc2C(F)(F)F)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.447158031342219 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6434526764861874 | |
| Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.795184589682424 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncc[nH]4)CC3C2)n1,-3.3420276880874717 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,-1.4471580313422192 | |
| Nc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,-3.146128035678238 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nc(C)no4)CC3C2)n1,-1.591064607026499 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4C)CC3C2)n1,-2.6989700043360187 | |
| Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1,-2.12057393120585 | |
| COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5o4)CC3C2)c(OC)c1,-3.6989700043360183 | |
| O=C1N(Cc2ccnc(Br)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.655138434811382 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2,-2.161368002234975 | |
| COc1ccccc1S(=O)(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.255272505103306 | |
| Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)n1,-2.9777236052888476 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cnoc4-c4ccccc4)C[C@@H]32)n1,-3.113943352306837 | |
| CN1CCOc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.7752462597402365 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)ccn4)[C@H]3C2)c1,-2.3180633349627615 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4Br)CC3C2)n1,-2.710117365111816 | |
| CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,-1.4471580313422192 | |
| Cc1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.1760912590556811 | |
| COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1F,-2.3521825181113627 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ccco4)CC32)n1,-0.6020599913279624 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,-2.8254261177678233 | |
| Cc1cc(C)cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.05307844348342 | |
| Cc1ccnc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,-2.322219294733919 | |
| N=C(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,-0.9542425094393248 | |
| Cc1ccc(C(=O)N2CC[C@H]3CN(c4nccc(C(F)(F)F)n4)[C@H]3C2)c(-n2ccnn2)n1,-2.361727836017593 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.414973347970818 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,-3.041392685158225 | |
| C[C@@H]1CS[C@@H](COc2ncccc2C#N)CN1C(=O)c1ccccc1-n1nccn1,-2.1760912590556813 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.0569048513364727 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.859138297294531 | |
| Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)n1,-2.625312450961674 | |
| Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1,-1.9084850188786495 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(C(F)(F)F)nc1-n1nccn1,-3.016615547557177 | |
| O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1nccc3occc13)CC2,-1.9084850188786495 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,-2.4409090820652177 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.662757831681574 | |
| O=C1N(Cc2cccc3c2OCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.5440680443502757 | |
| COc1ccnc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.9637878273455551 | |
| O=C1N(Cc2cc(=O)[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8000293592441343 | |
| CCOc1ccccc1C(=O)N1C2CCC1C(COc1nc(C)cc(C)n1)C2,-2.403120521175818 | |
| CN(C)c1cc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.8260748027008264 | |
| COC(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-2.6989700043360187 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1,-2.2833012287035497 | |
| Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4cc(C(C)C)ccc4-n4nccn4)CC3C2)n1,-2.462397997898956 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C(C)C)CC3C2)n1,-2.7331972651065692 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.1931245983544616 | |
| Cc1ccnc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)c1,-1.8388490907372552 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.667452952889954 | |
| Cc1ccc(C)c(S(=O)(=O)N2CCC3CN(c4cnc5ccccc5n4)C3C2)c1,-3.577491799837225 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,-1.7160033436347992 | |
| CN(C)C(=O)c1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C(F)(F)F,-4.0 | |
| Cc1cccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c1-n1nccn1,-1.9590413923210936 | |
| Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1,-2.699837725867246 | |
| Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1,-2.41161970596323 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,-1.591064607026499 | |
| COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)nc(C)n4)CC3C2)c(-n2nccn2)c1,-1.4471580313422192 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4cccs4)n3)CC2C1,-1.9084850188786495 | |
| CN(C)c1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-2.004321373782642 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)n1,-2.075546961392531 | |
| O=C(c1cc(CO)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.3636119798921444 | |
| Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21,-1.6812412373755872 | |
| Cn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.225309281725863 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1nc3cc(Cl)ccc3o1)C2,-2.6766936096248664 | |
| C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1,-1.1846914308175989 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1,-2.869231719730976 | |
| Cc1cc(-c2ccco2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-2.9334872878487053 | |
| Cc1nc2ccccc2nc1N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,-2.7283537820212285 | |
| COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1,-1.0606978403536118 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1,-4.0 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.6201360549737576 | |
| Cc1cc(OCC2CCCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F,-1.0 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-n1nccn1,-0.5440680443502757 | |
| O=C1N(Cc2cccc(N3CCCC3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.074816440645175 | |
| Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,-3.361727836017593 | |
| COc1cc(C)ccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.469380135849925 | |
| Cc1nc(N)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.361727836017593 | |
| COc1cc2ccccc2cc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.2052043639481447 | |
| Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.9590413923210936 | |
| COc1ccc(C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.230448921378274 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.5563025007672873 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-c1ncccn1,-0.3222192947339193 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.6532125137753435 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-1.6720978579357175 | |
| O=C(c1ncc(Cl)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.0 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2,-2.060697840353612 | |
| O=C1N(Cc2cccc3cnccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.1789769472931693 | |
| Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1,-3.322219294733919 | |
| Cc1cncc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.740362689494244 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(Cl)c4)CC3C2)n1,-2.8715729355458786 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)CC3C2)n1,-3.9541942518158626 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC2C1,-3.0888445627270045 | |
| N#Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccc1F,-2.450249108319361 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-n3ccnc3)ncn1)CC2,-2.7363965022766426 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(I)ccc4-n4nccn4)CC3C2)n1,-1.3010299956639813 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4C4=NN(C)CN4)CC3C2)ncc1Cl,-1.462397997898956 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,-1.4313637641589874 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ccc(F)cn3)CC2C1,-2.096910013008056 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccn(C)n4)C[C@@H]32)n1,-1.5440680443502757 | |
| COc1cccc(CO)c1C(=O)N1CCC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.4099331233312946 | |
| Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.863322860120456 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.7075701760979365 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2nc(C)cc(C)n2)C3)c1,-1.7708520116421442 | |
| O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-4.0 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1ccccn1)C2,-3.402433346219312 | |
| Cc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1,-0.9867717342662448 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)n1,-3.342422680822206 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-1.9084850188786495 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)n1,-1.0 | |
| Cc1cccc(-c2sc(C)nc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.2121876044039577 | |
| O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[C@H]2CN(c3ccnc(-c4ccccc4)n3)[C@H]2C1,-1.146128035678238 | |
| O=C1CC2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12,-2.751279103983342 | |
| Cc1ccc(-c2nccs2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-0.5797835966168101 | |
| O=S(=O)(c1ccccc1-c1ccccc1)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)n1,-1.146128035678238 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,-2.690196080028514 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nc(Cl)ncc3F)CC2C1,-2.424881636631067 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccc(C)cc4)CC3C2)n1,-2.885926339801431 | |
| O=C1N(Cc2cc(-n3cccn3)ccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4756711883244296 | |
| O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.27415784926368 | |
| COc1ccc(C(=O)N2CC3CN(c4nc(C)c(F)c(C)n4)CC3C2)c(-n2nccn2)c1,-0.9542425094393248 | |
| O=C1N(Cc2c[nH]c3ncccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9637878273455551 | |
| O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1noc2ccccc12,-2.2671717284030137 | |
| Cc1nsc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,-2.1367205671564067 | |
| Cn1ncc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-c1ccccc1,-3.9868165045855366 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1,-3.5185139398778875 | |
| O=C(c1ccc(F)cc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.7708520116421442 | |
| Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)cn1,-2.3010299956639813 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.342422680822206 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3o1)CC2,-1.9912260756924949 | |
| CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.6283889300503116 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(Cl)cc1-n1nccn1,-0.0791812460476249 | |
| Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.6989700043360187 | |
| COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1OC,-3.6989700043360183 | |
| COc1ccc(C(=O)N2CC3CN(c4nccc(OC)n4)CC3C2)c(OC)c1,-3.9541942518158626 | |
| CN(C)c1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-2.041392685158225 | |
| Cc1cc(C2CC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.230448921378274 | |
| O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.230448921378274 | |
| O=C1CCCC2(CCN(c3nnc(-c4ccccc4)o3)CC2)N1Cc1cccc2[nH]ccc12,-2.8169038393756605 | |
| COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(Cl)n1,-2.790988475088816 | |
| Cc1cnc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)cn1,-2.278753600952829 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nc4ccccc4nc2C(F)(F)F)C3)c1,-2.6875289612146345 | |
| O=C1N(Cc2cc3ccccc3[nH]2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.2208922492195193 | |
| Cc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,-2.683947130751512 | |
| Cc1cccc(-n2nccn2)c1C(=O)N1C[C@H](Oc2cc(C#N)ccn2)CC[C@H]1C,-0.3617278360175928 | |
| COc1ccnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.6334684555795866 | |
| COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.2380461031287955 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2nccn2)n1,-3.863322860120456 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,-3.230448921378274 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c1,-2.7259116322950483 | |
| O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.4983105537896004 | |
| Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.1760912590556811 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4cc[nH]n4)C[C@@H]32)n1,-0.9542425094393248 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2,-3.255272505103306 | |
| Cc1ccoc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,-1.1139433523068367 | |
| O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-2.041392685158225 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1,-3.041392685158225 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1,-0.0 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]32)n1,-1.845098040014257 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4-n4ccnn4)CC3C2)n1,-4.0 | |
| COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c(-n2nccn2)c1,-2.278753600952829 | |
| Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.694605198933569 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.414973347970818 | |
| Cc1cnc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.1760912590556813 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccc(N(C)C)nc4)C[C@@H]32)n1,-1.8573324964312683 | |
| Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.760422483423212 | |
| N#Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.812244696800369 | |
| Cn1c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21,-3.724275869600789 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-1.7993405494535817 | |
| O=C1N(Cc2cccc3cccnc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.3283796034387376 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)cccc4C)CC3C2)n1,-2.6263403673750423 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1Cl,-0.6020599913279624 | |
| O=C(c1cccc2cc[nH]c12)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.6522463410033232 | |
| Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1,-2.0086001717619175 | |
| Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1,-2.27415784926368 | |
| O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.5514499979728753 | |
| Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)cn1,-2.6232492903979003 | |
| O=C1N(Cc2nccn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.5705429398818973 | |
| Cc1cnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc1C,-1.380211241711606 | |
| Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(N(C)C)n1,-2.075546961392531 | |
| O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12,-1.041392685158225 | |
| O=C(c1ccccc1-c1cccnc1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.0569048513364727 | |
| Cc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)nc(C(F)(F)F)n1,-1.6989700043360187 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1,-2.459392487759231 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C)n1,-2.9370161074648142 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C)n2)C3)c1,-1.6434526764861874 | |
| O=C1N(Cc2cccc(-n3cccn3)n2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9030899869919435 | |
| Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c2ccccc12,-2.505149978319906 | |
| Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,-0.568201724066995 | |
| Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1,-2.3384564936046046 | |
| O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.7151673578484576 | |
| COc1ccc(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c(-n2nccn2)c1,-1.3424226808222062 | |
| Cc1onc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-1.944482672150169 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-1.8388490907372552 | |
| O=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2,-3.1760912590556813 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-c1ncccn1,-0.5440680443502757 | |
| COc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,-2.1903316981702914 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.550228353055094 | |
| Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)on1,-3.462397997898956 | |
| O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-3.1179338350396413 | |
| Cc1cc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)nc(C(F)(F)F)n1,-2.716003343634799 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-1.462397997898956 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.1760912590556811 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,-2.643452676486187 | |
| CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1,-3.9541942518158626 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-n1nccn1,-0.5314789170422551 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,-3.041392685158225 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.9800033715837464 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1,-3.505149978319906 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C)c1C,-0.6020599913279624 | |
| Cc1ccc(N)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.1367205671564067 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1,-1.6232492903979006 | |
| Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3nnc[nH]3)CC2C1,-2.3324384599156054 | |
| COc1ccnc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,-2.3560258571931225 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-2.27415784926368 | |
| COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1nc(C)cc(C)n1)C2,-3.6989700043360183 | |
| O=C1N(Cc2cccc3c2OCCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.7442929831226763 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2C)C3)n1,-3.342422680822206 | |
| Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2ccccc2n1,-2.450249108319361 | |
| COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,-2.146128035678238 | |
| Cc1ccc(-n2nccn2)cc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-1.863322860120456 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.6693168805661123 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2,-3.9541942518158626 | |
| Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,-3.812913356642856 | |
| O=C1N(Cc2cccnc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8561244442423 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1nccc(C(F)(F)F)n1)C2,-2.838849090737255 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4cccn4)C[C@@H]32)n1,-1.5563025007672873 | |
| O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.6532125137753435 | |
| COc1ccccc1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.361727836017593 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(C)C)n1,-3.0874264570362855 | |
| Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3cccs3)CC2C1,-2.357934847000454 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4OC(F)(F)F)CC3C2)n1,-1.7853298350107671 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Br)ccc1-n1nccn1,-0.9590413923210936 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,-2.4771212547196626 | |
| N#Cc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.9541942518158626 | |
| Cc1cc(C(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.9542425094393248 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)c1,-1.414973347970818 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncco4)CC3C2)n1,-1.2787536009528289 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cnnc5ccccc45)CC3C2)n1,-3.6989700043360183 | |
| Cc1cc(C(=O)O)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.9541942518158626 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)nc(C)c1C,-0.8450980400142568 | |
| COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-c2ncccn2)c1,-1.5185139398778875 | |
| Cc1cccc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-1.9242792860618816 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1,-3.770778396169148 | |
| COc1ccc(C(=O)N2CC3CN(c4ncc5cc(F)ccc5n4)CC3C2)c(-n2nccn2)c1,-1.4771212547196624 | |
| Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl,-1.505149978319906 | |
| Cc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl,-0.8692317197309762 | |
| Cc1noc(-c2ccccc2)c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.1398790864012365 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4F)CC3C2)n1,-3.6989700043360183 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1cnc3ccccc3n1)C2,-3.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccc4F)CC3C2)n1,-2.0791812460476247 | |
| Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-2.9242792860618816 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,-1.6434526764861874 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-1.7481880270062005 | |
| Cc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-3.16790781000148 | |
| O=C1N(Cc2cncn2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.975431808509263 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1,-1.8750612633917 | |
| Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-2.437750562820388 | |
| CNc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,-3.041392685158225 | |
| CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(C)cc(C)n3)C2C1,-1.6232492903979006 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.0 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C(F)(F)F)nc(N(C)C)n4)CC3C2)c1,-1.7558748556724917 | |
| COc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.568201724066995 | |
| O=C1N(Cc2cccc(-n3cccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6901960800285136 | |
| Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.041392685158225 | |
| O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.662757831681574 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.4471580313422192 | |
| CCCc1nc(C)cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-3.9541942518158626 | |
| CNc1nc(C)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.4913616938342726 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2,-2.292256071356476 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(F)(F)F)cn1)C2,-3.6720978579357175 | |
| COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1C,-2.884228769632604 | |
| Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1,-3.568201724066995 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1,-1.0 | |
| O=C(c1ccc(F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.505149978319906 | |
| O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4o3)CC2C1,-2.4082399653118496 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(-c5ccccc5)noc4C)C[C@@H]32)n1,-2.6884198220027105 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,-3.322219294733919 | |
| C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)n1,-2.6473829701146196 | |
| Cc1nc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ccc(F)cc2)s1,-2.3710678622717363 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc3ccccc3n1)CC2,-1.8325089127062364 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-1.146128035678238 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c(-n2ccnn2)n1,-3.505149978319906 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.8512583487190752 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-2.903089986991944 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc2c1CCC2,-0.8450980400142568 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cnc4ccccc4n3)C2C1,-1.8864907251724816 | |
| Cc1ncc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c2c1OC(C)(C)OC2,-2.3961993470957363 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc3nccnc3cn1)CC2,-1.9084850188786495 | |
| CN(C)c1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.5185139398778875 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-c1ncccn1,-1.0934216851622351 | |
| O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.214843848047698 | |
| Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1Cl,-1.2041199826559248 | |
| Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.662757831681574 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc(-c3ccncc3)n1)CC2,-2.1931245983544616 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-c4nc(C)no4)CC3C2)n1,-2.9731278535996988 | |
| Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c5c(n4)CCC5)CC3C2)n1,-1.255272505103306 | |
| COc1ccc(C(=O)N2CC3CN(c4nc5ccccc5s4)CC3C2)c(OC)c1,-2.863322860120456 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1,-0.8450980400142568 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccc(F)c5ccccc45)CC3C2)n1,-2.2227164711475833 | |
| Cc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,-2.2095150145426308 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nccc(C(F)(F)F)n3)[C@H]2C1,-2.568201724066995 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-n4cccc4)CC3C2)n1,-2.733999286538387 | |
| COc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC,-2.893206753059848 | |
| Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3c(F)cccc3-n3nccn3)C[C@@H]21,-4.0 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1,-3.0791812460476247 | |
| Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.9731278535996983 | |
| Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1,-1.9242792860618816 | |
| Cc1nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c(-c2cccc(F)c2)s1,-1.740362689494244 | |
| Cc1cc(C)nc(NCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)n1,-2.709269960975831 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,-3.021602716028242 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.869173027321683 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ccccn4)CC3C2)n1,-1.1760912590556811 | |
| O=C1N(Cc2cnc3ccccn23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.41161970596323 | |
| CCc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.7781512503836436 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5cccnc45)CC3C2)n1,-3.1577588860468637 | |
| Cc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.456366033129043 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ncccn4)CC32)n1,-1.3222192947339193 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cccc(C(F)(F)F)n1)C2,-2.866877814337499 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)COCC2C)c1,-0.9395192526186184 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(C)noc2-c2ccccc2)n1,-3.0802656273398448 | |
| Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)n1,-3.3010299956639813 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)SC[C@H]2C)c1,0.4202164033831898 | |
| Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,-2.4771212547196626 | |
| Cc1cnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)c(C)n1,-2.762678563727436 | |
| Cc1cc(=O)[nH]c(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.9541942518158626 | |
| Cc1[nH]c2ccccc2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.3873898263387296 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,-3.255272505103306 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ncccc3C(F)(F)F)CC2C1,-2.075546961392531 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-n5nccn5)ccc5c4OCO5)CC3C2)n1,-2.012837224705172 | |
| O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.7466341989375787 | |
| O=C(c1cccc(F)c1Br)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-2.8129133566428557 | |
| Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)cc1,-3.0409976924234905 | |
| CCCOc1ncccc1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ncoc4-c4ccccc4)CC3C2)n1,-2.681241237375587 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4cc[nH]n4)CC3C2)n1,-1.8388490907372552 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4nccn4)C[C@@H]32)n1,-2.361727836017593 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]nc4-c4ccccc4)C[C@@H]32)n1,-3.778078861937455 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-2.7067177823367587 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)CC3C2)n1,-2.103803720955957 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cc(C)nc(C(F)(F)F)n2)C3)c1,-1.505149978319906 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,-1.2041199826559248 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)nc4-n4ccnn4)C[C@@H]32)n1,-2.7323937598229686 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c1,-1.740362689494244 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,-1.6232492903979006 | |
| Cc1cccc(-c2ccc(F)cc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)n1,-2.7558748556724915 | |
| Cc1nc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)C3C2)c(-c2ccccc2F)s1,-2.1367205671564067 | |
| COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2ccnn2)n1,-2.845098040014257 | |
| O=C1N(Cc2cccc(-n3ccnn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.392696953259666 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ccccn4)CC3C2)n1,-1.3617278360175928 | |
| Cn1cc(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c2cccnc21,-1.591064607026499 | |
| CCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)c1,-3.592731766393962 | |
| O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.230448921378274 | |
| O=C(c1ccccc1Br)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.7895807121644256 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1cc(C(F)(F)F)ccn1)C2,-2.1072099696478683 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ncccn4)CC3C2)n1,-2.7481880270062 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1,-2.100370545117563 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4C#N)CC3C2)n1,-3.6989700043360183 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4C)CC3C2)n1,-2.9222062774390163 | |
| Cc1ccnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)c1,-2.2833012287035497 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4cccs4)CC32)n1,-0.6020599913279624 | |
| Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1,-2.2405492482825995 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4Br)CC3C2)n1,-2.578639209968072 | |
| O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-1.591064607026499 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.089905111439398 | |
| Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,-1.5314789170422551 | |
| Cc1ccc(-c2sc(C)nc2C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)cc1,-1.792391689498254 | |
| Cc1nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)[nH]c(=O)n1,-4.0 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1,-1.9542425094393248 | |
| Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(N(C)C)n1,-1.9542425094393248 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCCCC(COc3ccc(F)c(C)c3)C2)c1,-0.8976270912904414 | |
| O=C(c1ccc(F)cc1-c1ncccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.113943352306837 | |
| Cc1cncc(N2C[C@@H]3CCN(C(=O)c4ccc(F)cc4-n4nccn4)C[C@@H]32)n1,-2.693726948923647 | |
| Cc1nc(N2CC3CN(C(=O)c4cccc(F)c4-n4nccn4)CC3C2)nc(C)c1C,-0.8450980400142568 | |
| COc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-0.9542425094393248 | |
| O=C(c1ccccc1-n1cccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.6180480967120925 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4Br)CC32)n1,-3.969509098596567 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncnn4C)CC3C2)n1,-4.0 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2ccc(F)cc2-n2nccn2)n1,-2.7427251313046983 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,-1.1139433523068367 | |
| COc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-2.3783979009481375 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4cn[nH]c4)n3)CC2C1,-2.3502480183341627 | |
| O=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-0.9030899869919436 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)CC3C2)n1,-1.1139433523068367 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2,-3.230448921378274 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c1,-1.7634279935629371 | |
| Cc1cnc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-2.568201724066995 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)n1,-1.1139433523068367 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccccc4o3)CC2C1,-3.006466042249232 | |
| Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cc(F)ccc3-n3nccn3)C[C@@H]21,-4.0 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.9304395947667 | |
| O=C(c1ccccc1-c1ccco1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-1.0 | |
| O=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.57978359661681 | |
| Cc1ccc(C)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-2.311753861055754 | |
| Cc1cc(C(=O)N(C)C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-2.423245873936808 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cncnc4)C[C@@H]32)n1,-2.7403626894942437 | |
| CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.041392685158225 | |
| Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1,-3.0791812460476247 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4cccn4)C[C@@H]32)n1,-1.7558748556724917 | |
| Cc1ccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)nc1,-2.3979400086720375 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(C(F)(F)F)nnc13)C2,-3.4082399653118496 | |
| C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2304489213782739 | |
| Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1,-3.0791812460476247 | |
| O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.3891660843645326 | |
| Cc1cc(C)nc(N2CC3CN(S(=O)(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.361727836017593 | |
| O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.5185139398778875 | |
| Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3ccccc3-n3nccn3)C[C@@H]21,-4.0 | |
| O=C1N(Cc2cccc(-c3ccncc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.3364597338485296 | |
| Cc1cc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc2[nH]1,-1.5440680443502757 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)c1,-2.0170333392987803 | |
| Cc1cc(N(C)C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.7075701760979365 | |
| O=C1N(Cc2cccc(-c3ccccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6720978579357175 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccn2)C3)n1,-3.690196080028514 | |
| Cc1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.4471580313422192 | |
| O=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.3424226808222062 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4nccnc4-c4ccccc4)C[C@@H]32)n1,-2.439332693830263 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,-2.583198773968623 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,-2.792391689498254 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)[C@H]2C1,-1.5563025007672873 | |
| O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1cnc3ccccc3n1)C2,-2.8407332346118066 | |
| O=C(c1cc(F)ccc1-c1ccn[nH]1)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.99563519459755 | |
| COc1ccc2nc(N3CCC4(CCCN(Cc5c[nH]c6ccccc56)C4=O)CC3)[nH]c2c1,-2.8721562727482928 | |
| COc1cnc(C)nc1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1,-4.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncco4)CC3C2)n1,-1.2787536009528289 | |
| COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1nccn1,-3.1760912590556813 | |
| CCc1ccccc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-2.858537197569639 | |
| Cn1ncc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21,-2.292256071356476 | |
| Cc1nccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-3.4771212547196626 | |
| Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc1,-2.3979400086720375 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4cc(C)nc(C(F)(F)F)n4)CC3C2)c1,-1.977723605288848 | |
| O=C1N(Cc2cc(F)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.096910013008056 | |
| Cc1cc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccc(F)cc4)CC3C2)nc(C)n1,-3.6989700043360183 | |
| Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.5185139398778875 | |
| COc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1,-3.7481880270062 | |
| Cc1ccc(C(F)(F)F)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5ccccc5)n4)[C@H]3C2)c1,-1.4471580313422192 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1,-2.515873843711679 | |
| Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(Cl)c(C)n4)CC3C2)n1,-0.6989700043360189 | |
| COc1ccc(C(=O)N2CC3CN(c4nccc(C)n4)CC3C2)c(OC)c1,-4.0 | |
| Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1C,-2.392696953259666 | |
| COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)[C@H]3C2)c(-n2nccn2)c1,-2.4756711883244296 | |
| O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9242792860618816 | |
| Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.568201724066995 | |
| Cc1cccc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-2.173186268412274 | |
| COc1cccc(CO)c1C(=O)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.320146286111054 | |
| O=C(c1ccccc1Br)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-2.1583624920952498 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-n1nccn1,-1.1760912590556811 | |
| Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)n1,-1.9822712330395684 | |
| COc1cc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)nc(N(C)C)n1,-1.8129133566428557 | |
| COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(C)c1,-3.0655797147284485 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1sccc1-c1ncccn1,-0.7708520116421442 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ncccn4)CC3C2)cc(C(F)(F)F)n1,-1.662757831681574 | |
| COc1cc(OC)nc(N2CC3CN(C(=O)c4ncccc4-c4ccccc4)CC3C2)n1,-3.9541942518158626 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)sc4-c4ccccc4F)CC3C2)n1,-2.096910013008056 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-c4ncccn4)CC32)n1,-1.3010299956639813 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,-1.8976270912904416 | |
| COc1ccc(C(=O)N2CC3CN(c4ncc(Cl)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.0 | |
| Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1,-2.08278537031645 | |
| COc1ccc(C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)c(OC)c1,-3.424554976606714 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(Br)cn2)C3)n1,-2.886490725172482 | |
| C/N=C(\CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N,-2.747411807886423 | |
| O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.6532125137753435 | |
| Cc1cncc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-2.2068258760318495 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Cl)ccc1-n1nccn1,-1.7558748556724917 | |
| O=C1N(Cc2cc(Cl)cc3c2OCOC3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.8686444383948255 | |
| COc1ccc(C(=O)N2CC3CN(c4cc(C)c5ccccc5n4)CC3C2)c(OC)c1,-2.975431808509263 | |
| O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2,-3.230448921378274 | |
| Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ccccc2F)s1,-1.7781512503836436 | |
| O=C1N(Cc2cccc(-n3nccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.1139433523068367 | |
| Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1,-2.6283889300503116 | |
| O=C1N(Cc2cccc3nonc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.9912260756924949 | |
| CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2,-1.806179973983887 | |
| COc1ccc(C(=O)N2CC3CN(c4ncc(C)c(C)n4)CC3C2)c(-n2nccn2)c1,-1.1760912590556811 | |
| O=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.2787536009528289 | |
| Cc1nc(-c2ccccc2)oc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.4638929889859074 | |
| COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,-2.2671717284030137 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-1.6989700043360187 | |
| O=C1N(Cc2cccc(-c3ccccc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.7075701760979365 | |
| Cc1cc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(C)c1,-3.0141003215196207 | |
| O=C(c1ccccc1-c1cccnc1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.5519376953648374 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccn4)CC3C2)n1,-1.8325089127062364 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-c4ncccn4)CC32)n1,-1.462397997898956 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(C)nc4-n4nccn4)CC3C2)n1,-2.6875289612146345 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1,-3.204119982655925 | |
| CCOc1ccc2ccccc2c1C(=O)N1CC2CN(c3nc(OC)cc(OC)n3)C2C1,-2.037426497940624 | |
| Cc1ccc2ccccc2c1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.9637878273455551 | |
| CCOc1nccc(C)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.5563025007672873 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-n1nccn1,-0.7403626894942439 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4Br)CC3C2)n1,-4.0 | |
| O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-3.0145205387579237 | |
| O=C(c1cccc(F)c1-n1nccn1)N1CC2CN(c3ncc4cc(F)c(F)cc4n3)CC2C1,-1.255272505103306 | |
| CC(c1c[nH]c2ccccc12)N1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.2671717284030137 | |
| O=C1N(Cc2cccc3c2CCN3)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.4265112613645754 | |
| O=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.683947130751512 | |
| CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,-3.4488608456074408 | |
| COc1cccc(CO)c1C(=O)N1CCC2CN(c3nc4ccccc4o3)C2C1,-2.4533183400470375 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3cccc(C(F)(F)F)n3)CC2C1,-2.4638929889859074 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC(COc3ccc(F)c(C)c3)CCCC2C)c1,-0.5185139398778874 | |
| CN(C)c1cc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.6232492903979006 | |
| Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-2.9222062774390163 | |
| Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.612783856719735 | |
| COc1cccc(-n2cncc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-1.9294189257142929 | |
| Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-3.6020599913279625 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2C1,-1.6127838567197357 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4-c4ccccc4)CC3C2)n1,-1.9493900066449128 | |
| CCCOc1cccnc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.1760912590556813 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cc(-c3ccccc3)ncn1)CC2,-2.060697840353612 | |
| Cc1cnn(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)c1,-3.5563025007672873 | |
| CCOc1cccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.9294189257142929 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ccccn4)CC3C2)n1,-1.230448921378274 | |
| O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-1.9912260756924949 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncc3ccccc3n1)CC2,-1.845098040014257 | |
| O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,-2.3979400086720375 | |
| COc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-3.137354111370733 | |
| O=C1N(Cc2nccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.198657086954422 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2ccnn2)n1,-3.8572721735640414 | |
| O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.982316469692065 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)c1,-1.230448921378274 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5ccccc45)CC3C2)n1,-1.806179973983887 | |
| Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4nc(C)c(C)c(C)n4)CC3C2)n1,-0.8450980400142568 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cc(F)ccc4-c4ccccn4)CC3C2)n1,-2.255272505103306 | |
| CCCOc1cccnc1C(=O)N1CC2CN(c3cnc4ccccc4n3)CC2C1,-3.4913616938342726 | |
| CC(=N)OC(=N)c1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cc1,-3.092018470752797 | |
| Cc1cccc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]32)n1,-1.9637878273455551 | |
| Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.255272505103306 | |
| CCc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-2.374748346010104 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-c1ncccn1,-0.3222192947339193 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1,-2.0293837776852097 | |
| Cc1nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)ncc1F,-1.8976270912904416 | |
| O=C(c1ccccc1-c1cccs1)N1CCC2CN(c3cnc4ccccc4n3)C2C1,-0.8450980400142568 | |
| COc1ccc(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c(OC)c1,-2.6138418218760693 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-n4cccc4)CC32)n1,-1.1760912590556811 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3c1)CC2,-1.505149978319906 | |
| O=C(c1ccccc1Br)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-2.747411807886423 | |
| O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2,-3.1760912590556813 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4ccnn4)C[C@@H]32)n1,-2.230448921378274 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,-2.12057393120585 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1,-2.531478917042255 | |
| COc1ccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c(-n2nccn2)c1,-1.041392685158225 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1,-2.808885867359812 | |
| Cc1cnc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)c1,-3.4313637641589874 | |
| Cc1ccnc(-c2c(F)cccc2C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-1.6232492903979006 | |
| Cc1ccc(C)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.8027737252919755 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cnoc4-c4ccccc4)CC3C2)n1,-2.496929648073215 | |
| CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.342422680822206 | |
| CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-2.1760912590556813 | |
| Cc1cnc(C)c(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,-3.110252917353403 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4cc[nH]n4)CC3C2)n1,-0.9030899869919436 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1,-1.8750612633917 | |
| CCOc1ccc(OCC)c(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1,-2.2648178230095364 | |
| Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1,-3.041392685158225 | |
| Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1,-2.741939077729199 | |
| O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc(-c3nccs3)cn1)CC2,-2.8530895298518657 | |
| O=C1N(Cc2ccc(-c3ncccn3)cc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-3.14050804303818 | |
| Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1,-3.591064607026499 | |
| Cc1nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)nc(C)c1F,-1.2041199826559248 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4nccn4)C[C@@H]32)c1,-1.5563025007672873 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2,-3.361727836017593 | |
| Cc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1,-3.1760912590556813 | |
| COc1ccc(C(=O)N2CC3CN(c4cc(N(C)C)ncn4)CC3C2)c(-n2nccn2)c1,-2.278753600952829 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4C(F)(F)F)CC3C2)n1,-3.322219294733919 | |
| COc1cccc(OC)c1C(=O)N1CC2CN(c3ccc(C(F)(F)F)cn3)CC2C1,-4.0 | |
| Cc1nc2ccccn2c1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.66838591669 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4ccccc4F)C[C@@H]32)n1,-2.531478917042255 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC32)n1,-2.2121876044039577 | |
| Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)n1,-1.041392685158225 | |
| Cc1cnc(-n2ccnn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1,-2.447158031342219 | |
| O=C(c1ccccc1-c1nnc[nH]1)N1CC2CN(c3nc4ccccc4nc3C(F)(F)F)CC2C1,-2.741151598851785 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,-1.2041199826559248 | |
| O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2,-2.100370545117563 | |
| Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,-1.9542425094393248 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc([N+](=O)[O-])cn3)CC2C1,-2.678518379040114 | |
| COc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1,-3.07040732174012 | |
| Cc1ccc(-c2ncco2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1,-1.1139433523068367 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1,-2.342422680822206 | |
| O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.4771212547196624 | |
| CNc1c(C=N)cccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.060697840353612 | |
| O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3cnc4cc(F)c(F)cc4n3)CC2C1,-1.041392685158225 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1,-1.4913616938342726 | |
| COc1ccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1,-3.9444826721501687 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(C)c4C)CC3C2)n1,-2.606381365110605 | |
| Cc1ccn2c(C)cnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2,-3.929418925714293 | |
| N#Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.146128035678238 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccnc4-c4ccnn4C4CCCCO4)CC3C2)n1,-4.0 | |
| O=C(c1cccc(F)c1-c1ccncc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.568201724066995 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,-3.0791812460476247 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)n1,-2.3820170425748683 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC3CN(c4nc(C)cnc4C)CC3C2)c1,-1.57978359661681 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4nnc[nH]4)CC3C2)nc(C(F)(F)F)n1,-1.8325089127062364 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1,-4.0 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3nc4cc(Cl)ccc4o3)[C@H]2C1,-1.8750612633917 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4ncn(C)n4)CC3C2)n1,-1.414973347970818 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]32)n1,-1.740362689494244 | |
| O=C1N(Cc2cncn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.294466226161593 | |
| Cc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1,-3.0791812460476247 | |
| N=C(/C=C\c1ncc[nH]1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1,-2.2648178230095364 | |
| O=C1N(Cc2ccccc2-c2ncccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-2.829303772831025 | |
| C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cn(C)nc1-n1nccn1,-2.1789769472931693 | |
| O=C1N(Cc2cccc(-c3ncccn3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2,-1.792391689498254 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccnn4-c4ccccc4)CC3C2)n1,-2.230448921378274 | |
| Cc1noc(-c2ccccc2C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)n1,-1.806179973983887 | |
| Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)n1,-2.5185139398778875 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4nccn4)C[C@@H]32)n1,-1.1760912590556811 | |
| Cc1cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)ccn1,-2.9190780923760737 | |
| O=C(c1cccc(F)c1-c1cccnn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2,-3.6232492903979 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4cc(C)cc(C)n4)[C@H]3C2)c1,-1.230448921378274 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4snnc4C)C[C@@H]32)n1,-3.812913356642856 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4OC)CC3C2)n1,-3.577146984827525 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)nc2ccccc12,-2.089905111439398 | |
| C[C@@H]1CC[C@@H](Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1,-1.2631624649622166 | |
| Cc1cccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c1-n1nccn1,-0.4771212547196624 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)n1,-2.5118833609788744 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1,-3.6020599913279625 | |
| C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1,-0.3979400086720376 | |
| Cc1noc(-c2c(F)cccc2C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)n1,-2.576341350205793 | |
| CNc1ccccc1C(=N)CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O,-2.3263358609287517 | |
| COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-n1ccnn1,-4.0 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4F)CC3C2)n1,-3.6989700043360183 | |
| COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(Br)cn1)C2,-3.8260748027008264 | |
| COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2,-3.643353961976863 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]32)n1,-1.6812412373755872 | |
| Cc1cccc(OCC2CC3CCC2N3C(=O)c2cccc(F)c2-n2nccn2)n1,-2.4771212547196626 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2,-2.173186268412274 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c1,-1.6232492903979006 | |
| Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.530199698203082 | |
| Cc1cc(C#N)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-1.3617278360175928 | |
| COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(-n2nccn2)n1,-1.1760912590556811 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc5c4-c4ccccc4C5)CC3C2)n1,-0.9030899869919436 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc(F)cc4-c4ncccc4F)CC3C2)n1,-1.3979400086720375 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4C)CC3C2)n1,-3.531478917042255 | |
| Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1,-4.0 | |
| COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1,-2.530199698203082 | |
| Cc1ccc(-c2ccccc2C(=O)N2CC3CN(c4cnc5ccccc5n4)CC3C2)cc1,-3.0629578340845103 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-n4ccnn4)CC3C2)n1,-3.146128035678238 | |
| CN(C)c1nc(N2CC3CN(C(=O)c4cc(F)ccc4-n4nccn4)CC3C2)cc(C(F)(F)F)n1,-1.7160033436347992 | |
| Cc1ccc(-n2ccc(C)n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1,-2.41161970596323 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Nc3nccc4ccccc34)CC[C@H]2C)c1,0.2518119729937995 | |
| Cc1ncnc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,-3.230448921378274 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1,-3.662757831681574 | |
| Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3ccccc3)CC2C1,-2.6522463410033232 | |
| Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(C)n1,-1.1139433523068367 | |
| Cc1ccnc(N2CC3CN(C(=O)c4c(C)ccc5ccccc45)CC3C2)n1,-2.3324384599156054 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4cc(C)on4)C[C@@H]32)n1,-3.041392685158225 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1,-2.037426497940624 | |
| COc1ccccc1C(=O)N1CC2CN(c3nccc(C)n3)CC2C1,-4.0 | |
| CCOc1ccccc1C(=O)N1CC2CN(c3nc(C)cc(C)n3)CC2C1,-1.8750612633917 | |
| Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)n1,-2.369215857410143 | |
| O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3cnc4ccccc4n3)C2C1,-2.2528530309798933 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4-n4nccn4)CC3C2)n1,-2.0569048513364727 | |
| Cc1cc(C)nc(N2CC3CN(C(=O)c4sccc4-c4ccccc4)CC3C2)n1,-1.662757831681574 | |
| Cc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-c2ncccn2)c1,-3.0 | |
| N=CC(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccn1,-2.3654879848909 | |
| Cc1cc(C)nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1,-3.132899769944483 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,-0.0 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc1OC,-0.2999429000227671 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1OC,0.100015437450609 | |
| COc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,-1.4000196350651586 | |
| COc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc3S2(=O)=O)cc1OC,-1.0 | |
| COc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1OC,-0.8000293592441343 | |
| COc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1OC,-1.899984562549391 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3OC)c3ccccc3S2(=O)=O)cc1OC,-0.8000293592441343 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cc(C)cc3Cl)c3ccccc3S2(=O)=O)cc1OC,0.100015437450609 | |
| COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.2999889376778876 | |
| COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(Cl)c1,1.0 | |
| COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cnc1OC,-0.7000110623221123 | |
| COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)cc(OC)n1,-0.1000257301078625 | |
| COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3Cl)c3ccccc3S2(=O)=O)cnc1OC,-0.2000292665537703 | |
| COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc3S2(=O)=O)ccn1,-1.8000293592441343 | |
| COc1cc(F)c(CN2C(=O)N(c3cc(OC)nc(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.5999803649348415 | |
| COc1cc(F)c(CN2C(=O)N(c3cnc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(F)c1,0.400007822415902 | |
| COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)n3)S(=O)(=O)c3ccccc32)c(F)c1,0.700057099977233 | |
| CNc1cc(N2C(=O)N(Cc3c(F)cc(OC)cc3F)c3ncccc3S2(=O)=O)cnc1OC,0.1999706407558656 | |
| COc1ccc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)nc1OC,-0.2000292665537703 | |
| COc1cc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)cnc1OC,-0.57541879121436 | |
| COc1ccc(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1OC,-2.400002345927956 | |
| COc1ccc(NC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC,-1.255272505103306 | |
| COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC,-2.6201360549737576 | |
| C[C@@H]1CC[C@@H](Oc2ccc3ccccc3n2)CN1C(=O)c1ccccc1-n1nccn1,-0.9542425094393248 | |
| O=C(c1ccccc1-n1nccn1)N1CCC[C@@H](Oc2ccc3ccccc3n2)C1,-1.4313637641589874 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nccc3ccccc23)C1,-0.4471580313422192 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc3ccccc3cn2)C1,-2.578639209968072 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1,-2.4424797690644486 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ncc3ccccc3n2)C1,-3.167317334748176 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1,-2.9698816437465 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3o2)C1,-2.6693168805661123 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nc3ccccc3s2)C1,-2.342422680822206 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccccn2)C1,-3.016197353512439 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cccc(C(F)(F)F)n2)C1,-2.957607287060095 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc(C(F)(F)F)cn2)C1,-2.6693168805661123 | |
| O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cc(C(F)(F)F)ccn2)C1,-1.146128035678238 | |
| COc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1,-3.208710019906401 | |
| COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@@H](Oc3ccc4ccccc4n3)C2)c1F,-3.0888445627270045 | |
| O=C(c1ccccc1-n1cccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.432969290874406 | |
| O=C(c1ccccc1-c1ncccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.44870631990508 | |
| O=C(c1cccc(-n2nccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.9400181550076634 | |
| O=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.7972675408307164 | |
| O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.285557309007774 | |
| O=C(c1cccc(-n2ccnn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.634074025487468 | |
| O=C(c1cccc2ncccc12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1,-2.935003151453655 | |
| O=C(c1cccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.0791812460476247 | |
| O=C(c1cncc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.03342375548695 | |
| O=C(c1nccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-2.7168377232995247 | |
| O=C(c1ccnc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.1942367487238292 | |
| O=C(c1cccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.1489109931093564 | |
| O=C(c1nccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.3310221710418286 | |
| O=C(c1cccn2cncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,-3.0038911662369108 | |
| COc1ncc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cccc(F)c2)nc1OC,-0.6532125137753437 | |
| COc1nc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)ccc1C1CC1,0.0132282657337551 | |
| Cc1cc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)nc(C(F)(F)F)n1,-1.3979400086720375 | |
| COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c(-n2nccn2)c1,-3.9541942518158626 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)nnc2-c2cnn(C)c2)cc1OC,-0.5185139398778874 | |
| COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC,0.0177287669604316 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,-3.6720978579357175 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4cnc(C(F)(F)F)cn4)C2C3)n1,-4.0 | |
| CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2,-3.949390006644913 | |
| CCOc1ncc2ccccc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.161368002234975 | |
| CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.7209857441537393 | |
| COc1cccc(-n2nccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.359835482339888 | |
| Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,-2.369215857410143 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.975431808509263 | |
| O=C(c1ncccc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.230448921378274 | |
| Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1,-2.155336037465062 | |
| O=C(c1cccc(F)c1-n1ccnn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.5440680443502757 | |
| Cc1ccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c(-n2ccnn2)n1,-3.041392685158225 | |
| CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.255272505103306 | |
| O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.838849090737255 | |
| COc1cccc(-c2ccn[nH]2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.03342375548695 | |
| COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-2.531478917042255 | |
| O=C(c1cccc2cc[nH]c12)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.763427993562938 | |
| O=C(c1ccc(F)cc1-n1nccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.3420276880874717 | |
| O=C(c1cccc(F)c1Br)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2,-3.1760912590556813 | |
| O=C(c1c(F)cccc1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.7015679850559273 | |
| O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.987666264926274 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ccc(Br)cn3)C1C2,-2.705007959333336 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)n1,-2.8260748027008264 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2,-2.829946695941636 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1,-3.6020599913279625 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.2174839442139063 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)n1,-2.12057393120585 | |
| Cc1cccc(C(=O)N2CC3CC(Nc4ccc(C(F)(F)F)cn4)C2C3)c1-n1nccn1,-1.662757831681574 | |
| CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.2833012287035497 | |
| O=C(c1cc(F)ccc1-n1nccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.401400540781544 | |
| O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2,-2.257678574869185 | |
| O=C(c1ccccc1-n1nccn1)N1CC2CC(Nc3cnc(C(F)(F)F)cn3)C1C2,-2.3283796034387376 | |
| Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3-n3nccn3)[C@H]2C)n1,-2.462397997898956 | |
| Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1,-2.3364597338485296 | |
| Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-n3nccn3)[C@H]2C)n1,-2.4149733479708178 | |
| Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)n1,-1.6020599913279625 | |
| Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)[C@H]2C)n1,-2.0644579892269186 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1,-1.3979400086720375 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,-2.357934847000454 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,-2.7686381012476144 | |
| Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)[C@H]2C)nc(C(F)(F)F)n1,-3.3126004392612596 | |
| C[C@H]1[C@H](Nc2nccc(C(F)(F)F)n2)CCCN1C(=O)c1c(F)cccc1-n1nccn1,-2.1583624920952498 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccc(C(F)(F)F)n3)[C@@H]2C)c(-n2ccnn2)n1,-2.8020892578817325 | |
| CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-2.832508912706236 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1,-2.376576957056512 | |
| Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1,-2.1760912590556813 | |
| C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1,-2.7745169657285498 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.3180633349627615 | |
| C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,-2.510545010206612 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.308564413561238 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncccn2)c1,-1.9590413923210936 | |
| COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-3.591064607026499 | |
| CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C,-3.146128035678238 | |
| C[C@H]1[C@H](Nc2ncc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.8169038393756605 | |
| Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,-2.7058637122839193 | |
| C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.681241237375587 | |
| C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.845098040014257 | |
| C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.8680563618230415 | |
| C[C@H]1[C@H](Nc2ccccn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.1760912590556813 | |
| Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1,-2.915927211697116 | |
| C[C@H]1[C@H](Nc2ncc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.2764618041732443 | |
| C[C@H]1[C@H](Nc2ncc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.9148718175400505 | |
| C[C@H]1[C@H](Nc2nc3ccccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.4533183400470375 | |
| C[C@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.6127838567197355 | |
| COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,-3.662757831681574 | |
| CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C,-3.204119982655925 | |
| C[C@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1,-2.44870631990508 | |
| C[C@H]1[C@H](Nc2cnc3ccccc3n2)CCCN1C(=O)c1ccccc1-n1nccn1,-1.9822712330395684 | |
| COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,-3.4313637641589874 | |
| CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C,-1.7634279935629371 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1,-3.875119165462568 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.1760912590556813 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.604765884703887 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)c1,-3.2762319579218335 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2nccn2)n1,-3.9776778876739938 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-n2ccnn2)n1,-3.113943352306837 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.6040099324122306 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.639486489268586 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.113943352306837 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.690196080028514 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)n1,-2.0 | |
| COc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.806179973983887 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncco2)c1,-3.845098040014257 | |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)n1,-2.2380461031287955 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-c2ncco2)c1,-3.5185139398778875 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c1,-2.569373909615046 | |
| C[C@H]1[C@H](Nc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(F)ccc1-n1nccn1,-2.686636269262294 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.322219294733919 | |
| Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.6232492903979 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,-3.4313637641589874 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1,-3.591064607026499 | |
| COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.785329835010767 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.146128035678238 | |
| Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1,-3.716003343634799 | |
| C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1,-3.361727836017593 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(Br)c3)nc3onc(-c4ccccc4)c23)nc1OC,-0.5797835966168101 | |
| COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)cc1OC,-1.0334237554869496 | |
| COc1cc(C)c(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4cccs4)c23)nc1OC,0.1549019599857432 | |
| COc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1,-1.863322860120456 | |
| COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@@]4(O)[C@@H](C2)N(C(=O)c2ccc(C)cc2)CC[C@]314,-2.8603380065709936 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3979400086720376 | |
| COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)n1,-0.4771212547196624 | |
| COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(C2CC2)n1,-0.2304489213782739 | |
| COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1,-0.1139433523068367 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)nc2-n2nccn2)C1,-0.7075701760979364 | |
| COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccncc2)n1,-0.9493900066449128 | |
| COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(SC)n1,-0.3010299956639812 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1,0.1549019599857432 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C(F)(F)F)C1,-0.4913616938342727 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2OC(F)(F)F)C1,0.0969100130080563 | |
| CCOc1ccccc1C(=O)N1C[C@H](Oc2nccc(C#N)c2C)CC[C@H]1C,0.1549019599857432 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2N2CCCC2)C1,-0.5314789170422551 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1,-0.2041199826559248 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cccnc2-c2ccccc2)C1,-0.414973347970818 | |
| Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1,-1.2201080880400552 | |
| CC(=O)Nc1cc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccccc2)cn1,0.1549019599857432 | |
| CC(=O)Nc1ccc(-c2ccccc2)c(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)n1,0.2218487496163563 | |
| C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0.0457574905606751 | |
| C[C@@H]1CC[C@@H](Sc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1,-0.2304489213782739 | |
| COC(=O)c1cccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,-0.3979400086720376 | |
| COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3979400086720376 | |
| COC(=O)c1cccnc1S[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.0969100130080563 | |
| COC(=O)c1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1,0.3010299956639812 | |
| C[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1nccn1,-0.3424226808222063 | |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccc(F)cn3)[C@@H]2C)c1,0.6989700043360187 | |
| COc1ccc2c(c1)[C@]13CCN(S(=O)(=O)c4ccccc4)[C@H](C2)[C@]1(O)CC[C@H](N(C)C(=O)/C=C/c1ccoc1)C3,-2.4683473304121573 | |
| COc1ccc2c3c1O[C@H]1[C@@H](N(C)C(=O)/C=C/c4ccoc4)CC=C4[C@@H](C2)N(S(=O)(=O)c2ccccc2)CC[C@]431,-2.089905111439398 | |
| COC(=O)c1cccc2c(C=O)cc(I)c-2c1,-3.5563025007672873 | |
| COC(=O)c1cc(CN2CCOCC2)c2ccc(Cl)ccc1-2,-3.633468455579586 | |
| CCOc1ccc(-c2cc(C(=O)c3ccccc3)c3ccc(C(=O)O)ccc2-3)cc1,-3.505149978319906 | |
| COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(Br)cn1,-1.8000293592441343 | |
| COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1,-0.1000257301078625 | |
| CS(=O)(=O)c1cncc(N2C(=O)N(Cc3c(F)cc(F)cc3F)c3ncccc3S2(=O)=O)c1,-1.7000110623221123 | |
| COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1,0.1999706407558656 | |
| O=S(=O)(c1ccccc1)N1CCCC12CCN(c1nc3ccccc3o1)CC2,-1.2000292665537704 | |
| COc1ccc2c(c1)[C@]13CCN(S(=O)(=O)c4ccccc4)[C@H](C2)[C@@H]1CC[C@H](N(C)C(=O)/C=C/c1ccoc1)C3,-1.9025467793139912 | |
| CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1,-2.2380461031287955 | |
| CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(CCCC4)[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1,-1.9633155113861112 | |
| COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,-2.0 | |
| COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12,-3.146128035678238 | |
| COC(=O)CN(C(C)=O)C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl,-3.3979400086720375 | |
| CC(/C=C/c1ccccc1)=N/Nc1nc(Nc2ccccc2)nc(-n2nc(C)cc2C)n1,-4.250420002308894 | |