| SMILES,Ki |
| COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1,-0.1139433523068367 |
| c1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1,-0.6020599913279624 |
| CC1Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,-0.9542425094393248 |
| CC1(C)Cc2cccc3c2N1C(=O)C(N1CCN(Cc2ccc(Cl)cc2)CC1)CC3,-1.2787536009528289 |
| Cc1ccc(CN2CCN(C3CCc4cccc5c4N(CC5)C3=O)CC2)cc1,-0.6020599913279624 |
| O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,-3.6009728956867484 |
| Oc1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,-1.1583624920952498 |
| O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1-c1ccccc1C2=O,-3.1398790864012365 |
| O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,-2.513217600067939 |
| CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21,-3.1792644643390253 |
| O=C1Cc2c(ccc(Cl)c2N2CCN(Cc3ccccc3)CC2)N1,-0.9444826721501688 |
| Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1,-2.5428254269591797 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,-3.2671717284030137 |
| CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,-3.587935348636356 |
| O=C1C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2cccc3c2N1CC3,-0.6020599913279624 |
| CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,-3.0 |
| O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2,-2.8318697742805017 |
| O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,-2.5440680443502757 |
| O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1,-0.4771212547196624 |
| Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)(C)C5)CC2)cc1,-1.0791812460476249 |
| COc1cc(C)ccc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,-1.5314789170422551 |
| c1ccc(CN2CCN(c3cccc4[nH]cnc34)CC2)cc1,-1.6720978579357175 |
| COc1ccc(Cl)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,-1.462397997898956 |
| OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccn(-c3ccccc3)c2)CC1,-2.691965102767361 |
| Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1,-2.938519725176492 |
| CCN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,-0.6020599913279624 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,-0.2041199826559248 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,-2.5921767573958667 |
| O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,-2.0211892990699383 |
| Cc1ccc(CN2CCN(C3CCc4cccc5c4N(C3=O)C(C)C5)CC2)cc1,-1.0 |
| O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1,-2.5658478186735176 |
| O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21,-3.3364597338485296 |
| c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1,-1.167317334748176 |
| c1ccc(C2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1,-0.9542425094393248 |
| Oc1nc2ccccc2n1C1CCN(Cc2ccn(-c3ccccc3)c2)CC1,-2.810232517995084 |
| C1=C(c2ccccc2)CCN(Cc2ccn(-c3ccccc3)c2)C1,-0.6020599913279624 |
| CN1C2CCC1CC(OC1c3ccccc3Cc3ccccc31)C2,-2.7331972651065692 |
| Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,-1.8331471119127851 |
| O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,-3.0569048513364727 |
| Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12,-0.414973347970818 |
| FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,-0.4623979978989561 |
| Clc1cccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)c1,-2.346352974450639 |
| COc1ccc(C)cc1CN1CCN(C2CCc3cccc4c3N(C2=O)C(C)(C)C4)CC1,-1.8129133566428557 |
| c1ccc(-n2ccc(CN3CCN(c4ccccn4)CC3)c2)cc1,-0.2041199826559248 |
| O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,-2.724275869600789 |
| Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1,-0.2304489213782739 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1ccn(-c3ccccc3)c1)CC2,-2.303196057420489 |
| OC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1,-2.5118833609788744 |
| O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1Cc1ccccc1-2,-2.8981764834976764 |
| Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1,-2.0791812460476247 |
| Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1,-2.2355284469075487 |
| Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1,-2.806179973983887 |
| COc1cccc(C(=O)CCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-0.6020599913279624 |
| COc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-1.3617278360175928 |
| COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,-1.1481397365012198 |
| COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3cccc(OC)c32)CC1,-1.6901960800285136 |
| O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,-1.5075860397630108 |
| COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1,-0.2304489213782739 |
| COc1cccc(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-1.3979400086720375 |
| COc1cccc(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-0.7323937598229685 |
| COc1cccc(C(=O)CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-1.3222192947339193 |
| COc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,-1.662757831681574 |
| Cc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1,-0.8114744631031798 |
| N#Cc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1,-0.7401652380328281 |
| Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1,-0.9608511537196862 |
| Cc1cccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)c1,-1.4307198878632823 |
| C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1,-1.9585638832219672 |
| COc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,-1.6232492903979006 |
| COc1ccc2c(c1)C(=O)N(CCN1CCN(c3ccc(Cl)cc3)CC1)CC2,-2.1492191126553797 |
| COc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-2.447158031342219 |
| Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccc(O)cc4)C3)CC2)cc1,-1.8325089127062364 |
| COc1cccc2c1CCN(CCN1CCN(c3ccc(Cl)cc3)CC1)C2=O,-1.6232492903979006 |
| N#Cc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,-1.4307198878632823 |
| COc1cccc(C(=O)CCCCN2CCN(c3ccccc3OC)CC2)c1,-1.6334684555795866 |
| COc1cc(N)c(Cl)cc1C(=O)NCCN1CCN(c2ccccc2OC)CC1,-1.2787536009528289 |
| COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1,-0.0791812460476249 |
| COc1cccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-2.3096301674258988 |
| Cc1ccc(C(=O)NCN2CCN(c3ccccc3Cl)CC2)cc1,-1.079543007402906 |
| COc1ccccc1N1CCN(CCNC(=O)C2CCCc3c(OC)cccc32)CC1,-1.3424226808222062 |
| COc1cccc(C(=O)N(C)CCN2CCN(c3ccc(Cl)cc3)CC2)c1,-2.255272505103306 |
| COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1,-0.8882356732705672 |
| COc1ccccc1N1CCN(CCCC2CCCc3c(OC)cccc32)CC1,-1.568201724066995 |
| COc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1,-1.8260748027008264 |
| COc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1,-2.3820170425748683 |
| COc1cccc2c1CCCC2CCCN1CCN(c2ccc(Cl)cc2)CC1,-2.6190933306267428 |
| COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1,1.3979400086720375 |
| COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1,-0.8280473285887555 |
| N#Cc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,-1.5307118379816569 |
| O=C(NCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.7221401254574156 |
| COc1ccccc1N1CCN(CCCCC2CCCc3c(OC)cccc32)CC1,-1.6334684555795866 |
| COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1,-1.180125875164054 |
| O=C(NCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,-1.6114046377115936 |
| COc1ccccc1N1CCN(Cc2cccc(-c3ccccc3)c2)CC1,-0.9030899869919436 |
| Oc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1,-1.7881683711411678 |
| COc1ccc2c(c1)C(CCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2,-2.5921767573958667 |
| COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1,-1.3412366232386923 |
| Clc1ccc(N2CCN(Cc3cccn4nccc34)CC2)cc1,-1.806179973983887 |
| Clc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,-0.4830980199342925 |
| Clc1ccc(N2CCN(Cc3cccc4ccnn34)CC2)cc1,-3.113943352306837 |
| Clc1ccc(N2CCN(Cc3cc4ccccn4n3)CC2)cc1,-0.3799009205251956 |
| Clc1ccc(N2CCN(Cc3ccc4ccnn4c3)CC2)cc1,-0.4913616938342727 |
| CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,-3.832508912706236 |
| OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,-3.5563025007672873 |
| Cc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,-2.1172712956557644 |
| Cc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,-1.662757831681574 |
| Clc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,-2.037426497940624 |
| Cc1ccc2c(c1)C(N1CCCN(C)CC1)=Nc1cccnc1N2,-2.5514499979728753 |
| CN1CCCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,-2.2121876044039577 |
| Cc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,-1.568201724066995 |
| Cc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,-2.2624510897304293 |
| Clc1ccc2c(c1)C(NCCN1CCCC1)=Nc1cccnc1N2,-2.5327543789924976 |
| Cc1ccc2c(c1)C(NC1CCN(C)CC1)=Nc1cccnc1N2,-2.7075701760979363 |
| Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2,-1.6020599913279625 |
| Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2,-1.5563025007672873 |
| Clc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,-1.6812412373755872 |
| CN1CCC(NC2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,-2.5943925503754266 |
| Clc1ccc2c(c1)C(NC1CC3CCC(C1)N3Cc1ccccc1)=Nc1cccnc1N2,-2.060697840353612 |
| Clc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2,-1.9493900066449128 |
| CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1,-1.380211241711606 |
| CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C,-1.6812412373755872 |
| Cc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2,-1.9242792860618816 |
| CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C,-2.0681858617461617 |
| CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-0.6901960800285137 |
| CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-0.8450980400142568 |
| Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,-0.7490789672538863 |
| Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl,0.2819968317329825 |
| COc1ccccc1OCC1CN(Cc2ccccc2)CCO1,-2.929418925714293 |
| COc1ccc(OCCNCCCOc2ccccc2)cc1,-0.7311857076340004 |
| COc1cc(Cl)cc(OCC2CN(Cc3ccccc3)CCO2)c1,-2.963787827345555 |
| Clc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,-1.579897869603104 |
| COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1,-0.3010299956639812 |
| CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-0.9684829485539352 |
| CCOc1ccccc1OCC1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1,-1.5440680443502757 |
| Cc1ncccc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-1.919078092376074 |
| COc1ccc(N)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-2.0 |
| COc1ccccc1OCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1,-1.7853298350107671 |
| CC(C)Oc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.662757831681574 |
| COc1cccc(OCC2CN(Cc3ccc(Cl)cc3)CCO2)c1OC,-3.0 |
| Oc1cc(Cl)ccc1NCC1CN(Cc2ccc(Cl)cc2)CCO1,-0.7323937598229685 |
| c1ccc(CCCNCCCOc2ccccc2)cc1,-0.5185139398778874 |
| CCOc1ccccc1OCC1CN(Cc2ccc(F)cc2)CCO1,-2.255272505103306 |
| COc1ccc(Cl)cc1OCC1CN(Cc2ccccc2)CCO1,-1.845098040014257 |
| Cc1ccccc1OCCNCCCOc1ccccc1,-1.8696130271721287 |
| Cc1ccc(OCCNCCCOc2ccccc2)cc1,0.2819968317329825 |
| CCOc1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-0.4623979978989561 |
| Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,0.0778456747689411 |
| Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,-1.4307198878632823 |
| Cc1ccc(SCCNCCCOc2ccccc2)cc1,-1.4771212547196624 |
| CCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.380211241711606 |
| Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1,0.0188612173593396 |
| CCCc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.505149978319906 |
| Clc1ccc(OCCNCCCOc2ccccc2)cc1,0.2778598745425844 |
| COc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.505149978319906 |
| CCOc1cc(C#N)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.6020599913279625 |
| Cc1ccc(OCCCNCCOc2ccccc2)cc1,-0.4307198878632822 |
| COc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-2.6020599913279625 |
| COc1ccc([N+](=O)[O-])cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.3617278360175928 |
| COc1cc(I)ccc1OCC1CN(Cc2ccccc2)CCO1,-2.633468455579586 |
| COCCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.7160033436347992 |
| Clc1cccc(OCCNCCCOc2ccccc2)c1,0.5093393466438632 |
| Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1,-1.0406023401140732 |
| COc1ccc(F)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.4771212547196624 |
| CC(=O)c1ccc(Cl)cc1OCC1CN(Cc2ccc(Cl)cc2)CCCO1,-0.7403626894942439 |
| Clc1ccc(SCCNCCCOc2ccccc2)cc1,-1.5185139398778875 |
| COc1ccc(Cl)cc1NCC1CN(Cc2ccc(Cl)cc2)CCO1,-0.6532125137753437 |
| Cc1ccc(OCCNCCCOc2ccccc2)cc1C,0.4579841851294119 |
| COc1ccccc1/C=C/C1CN(Cc2ccc(Cl)cc2)CCO1,-2.3010299956639813 |
| Cc1cccc(OCCNCCCOc2ccccc2)c1,0.3386133022182299 |
| Cc1ccc(OCCNCCCOc2ccccc2C)cc1,-0.0406023401140731 |
| O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1,-0.6417219247658326 |
| CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.1139433523068367 |
| Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1,-0.079543007402906 |
| CCCNC(=O)c1cc(C)c(OCC2CN(Cc3ccc(Cl)cc3)CCO2)cc1Cl,-2.1760912590556813 |
| COc1ccccc1CCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.462397997898956 |
| COc1ccccc1OCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1,-1.505149978319906 |
| CCOc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.1139433523068367 |
| Oc1ccc(OCCNCCCOc2ccccc2)cc1,-0.4906606533561368 |
| Cc1ccc(CCCNCCCOc2ccccc2)cc1,-0.6720978579357175 |
| CCOc1ccccc1OCC1CN(Cc2ccc(Cl)cc2Cl)CCO1,-2.462397997898956 |
| COc1ccc(C(F)(F)F)cc1OCC1CN(Cc2ccc(Cl)cc2)CCO1,-2.3979400086720375 |
| Clc1ccccc1OCCNCCCOc1ccccc1,-0.6417219247658326 |
| Clc1ccc(OCCNCCCSc2ccccc2)cc1,-0.146128035678238 |
| COc1ccccc1OCC1CN(Cc2cccc(Cl)c2)CCO1,-2.8129133566428557 |
| c1ccc(OCCCNCCOc2ccccc2)cc1,-0.300486787986029 |
| Cc1ccc(OCCNCCCSc2ccccc2)cc1,0.0969100130080563 |
| Clc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1,-1.6020599913279625 |
| COc1ccccc1SCC1CN(Cc2ccc(Cl)cc2)CCO1,-1.7853298350107671 |
| N#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1,-0.9542425094393248 |
| Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cc1,-2.358971724438902 |
| N#Cc1ccc2cc(CN3CCN(c4ccccc4Cl)CC3)[nH]c2c1,-0.5314789170422551 |
| N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1,-1.3424226808222062 |
| N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4Cl)CC3)c2c1,-1.230448921378274 |
| N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,-2.041392685158225 |
| Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,-1.380211241711606 |
| N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1,-1.6989700043360187 |
| N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1,-1.462397997898956 |
| N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1,-0.0 |
| NC(=O)C1CCC(CN2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)O1,-2.200001865406602 |
| N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cc2c1,-0.146128035678238 |
| Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1,-2.4420248543572276 |
| N#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1,-0.5563025007672873 |
| N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2c1,-0.8750612633917001 |
| N#Cc1ccc2[nH]c(CN3CCN(c4ccccc4)CC3)cc2c1,0.2839966563652008 |
| C(#Cc1cccnc1)CCN1CC=C(c2ccccc2)CC1,-2.831575454452988 |
| C(#Cc1ccncc1)CCN1CC=C(c2ccccc2)CC1,-2.7579423494097774 |
| N#Cc1ccc2[nH]c(CN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,-0.3222192947339193 |
| Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1,-2.5696898580308125 |
| c1ccc(CNCCOc2cccc3[nH]cnc23)cc1,-1.7126497016272113 |
| COc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1,-1.5717088318086876 |
| Cc1ccc(C2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1C,-0.9684829485539352 |
| FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,-0.8450980400142568 |
| c1ccc(CNCCOc2cccc3[nH]ncc23)cc1,-2.498999363580153 |
| O=C1NC(CCN2CCN(c3ccc4ccccc4c3)CC2)c2ccccc21,-1.0 |
| Oc1nc2c(OCCNCc3ccccc3)cccc2[nH]1,-0.7993405494535817 |
| c1ccc(CNCCOc2cccc3[nH]ccc23)cc1,-2.362105319293773 |
| COc1ccc(N2CCN(CCC3c4ccccc4C(=O)N3C)CC2)cc1,-2.5224442335063197 |
| Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0.2525053292772161 |
| FC(F)(F)c1nc2c(OCCNCc3ccccc3)cccc2[nH]1,-0.4913616938342727 |
| O=C1NC(CCN2CCN(c3ccccc3)CC2)c2ccccc21,-1.3891660843645326 |
| Cc1nc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)sc1C,-1.3180633349627615 |
| Cc1ccc(N2CCN(CCC3c4ccccc4C(=O)N3C)CC2)cc1C,-1.545307116465824 |
| Sc1nc2c(OCCNCc3ccccc3)cccc2[nH]1,-0.5797835966168101 |
| Sc1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,-1.0492180226701815 |
| Cc1ccnc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)c1,-1.354108439147401 |
| CN1C(=O)c2ccccc2C1CCN1CCN(c2ccc(Cl)cc2)CC1,-1.895422546039408 |
| Oc1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1,-1.1986570869544226 |
| Cc1ccc(N2CCN(CCC3NC(=O)c4ccccc43)CC2)cc1,-1.0934216851622351 |
| Cc1nc2c(OCCNCc3ccccc3)cccc2[nH]1,-1.7860412102425542 |
| O=C(CCN1CCN(c2ccc(CO)c(Cl)c2)CC1)c1ccc(Cl)cc1,-1.7781512503836436 |
| Oc1cccc(OCCNCc2ccccc2)c1,-1.9063350418050904 |
| O=C1Cc2c(cccc2OCCNCc2ccccc2)N1,-1.0 |
| O=C1NC(CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21,-1.4440447959180762 |
| CN1CCN(c2nc3ccccc3c(Cl)c2Sc2ccccc2)CC1,-1.9637878273455551 |
| Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1,-0.3617278360175928 |
| O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O,-2.502427119984433 |
| c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1,-2.2227164711475833 |
| COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,-1.3096301674258988 |
| COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1,-0.5954962218255742 |
| O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1,-0.8573324964312685 |
| Fc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,-1.900913067737669 |
| Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(N2CCN(C)CC2)n1,-2.4149733479708178 |
| c1cncc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,-2.575187844927661 |
| Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1,-0.9294189257142929 |
| CN(CCCCN1CCN(c2ncccn2)CC1)C1=Nc2ccccc2OC1,-2.7466341989375787 |
| c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,-1.7160033436347992 |
| COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1,-0.6334684555795865 |
| Clc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,-1.1702617153949575 |
| Clc1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,-0.9822712330395684 |
| Clc1ccccc1N1CCN(Cc2nc3ccc[nH]c-3n2)CC1,-2.8567288903828825 |
| CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1,-2.3979400086720375 |
| COc1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,-1.423245873936808 |
| C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,-2.9731278535996988 |
| COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)c[nH]1,-3.0453229787866576 |
| c1ccc(CN2CCC(n3ccc(-c4cnco4)c3)CC2)cc1,-2.113943352306837 |
| c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-2.6532125137753435 |
| c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1,-2.770852011642144 |
| c1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1,-1.7242758696007892 |
| C(#Cc1cccn1C1CCN(Cc2ccccc2)CC1)c1ccccc1,-3.5185139398778875 |
| c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1,-2.3979400086720375 |
| COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)co1,-2.591064607026499 |
| c1ccc(CN2CCC(n3cccc3-c3cnco3)CC2)cc1,-1.7993405494535817 |
| COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1,-2.8129133566428557 |
| O=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,-2.9822712330395684 |
| COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,-2.568201724066995 |
| c1ccc(CN2CCC(n3cccc3)CC2)cc1,-3.041392685158225 |
| COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1,-2.8512583487190755 |
| Oc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1,-2.7634279935629373 |
| O=Cc1cccn1C1CCN(Cc2ccccc2)CC1,-2.3010299956639813 |
| C[Si](C)(C)C#Cc1cccn1C1CCN(Cc2ccccc2)CC1,-3.4313637641589874 |
| COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1,-2.6020599913279625 |
| N#CC(C#N)=Cc1cccn1C1CCN(Cc2ccccc2)CC1,-2.447158031342219 |
| COc1c(-c2nc(CNC[C@@H]3CCN(Cc4ccccc4)C3)co2)cc(Br)c2ccccc12,-4.190331698170292 |
| Ic1cccn1C1CCN(Cc2ccccc2)CC1,-3.1760912590556813 |
| COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1,-2.770852011642144 |
| c1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1,-2.5440680443502757 |
| c1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,-1.863322860120456 |
| N#CC(C#N)=Cc1ccn(C2CCN(Cc3ccccc3)CC2)c1,-2.361727836017593 |
| c1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1,-3.161368002234975 |
| COc1ccc(Br)cc1-c1nc(CN2CCN(Cc3ccccc3)CC2)cs1,-2.568201724066995 |
| c1ccc(CN2CC[C@@H](CNCc3csc(-c4ccccc4)n3)C2)cc1,-2.591064607026499 |
| Cc1sc(C)c2c1CC(C)(C)Cc1c[nH]nc1-2,-3.11293997608408 |
| Cn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,-1.146128035678238 |
| CCn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,-2.225309281725863 |
| Cc1sc(C)c2c1CCCc1nncn1-2,-3.635986111800833 |
| O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,-1.6023855901051052 |
| Cc1sc(C)c2c1CCc1cnn(C)c1-2,-1.414973347970818 |
| Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,-1.4601458174917503 |
| Cc1sc(C)c2c1CCCc1cnn(C)c1-2,-0.3010299956639812 |
| OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,-3.204119982655925 |
| CC1NCCc2cc(O)c(O)cc21,-3.806179973983887 |
| CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1,-2.5440680443502757 |
| Cc1sc(C)c2c1CCCc1c[nH]nc1-2,-1.0791812460476249 |
| Cc1sc(C)c2c1SCc1cnn(C)c1-2,-0.4771212547196624 |
| Cc1sc(C)c2c1CCc1cn(C)nc1-2,-3.4572761860613257 |
| Cc1ccc(C)c2c1CCCc1c[nH]nc1-2,-2.6283889300503116 |
| Cc1sc(C)c2c1CCCc1cnn(-c3ccccc3)c1-2,-3.1981069988734014 |
| Cc1oc(C)c2c1CCCc1cnn(C)c1-2,-1.041392685158225 |
| Cc1oc(C)c2c1CCCc1c[nH]nc1-2,-2.439332693830263 |
| Cc1sc(C)c2c1CCCc1c(CN(C)C)n[nH]c1-2,-3.408748606184244 |
| CCCn1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,-3.5499836111596887 |
| Cc1sc(C)c2c1CCCc1cnn(C(C)C)c1-2,-2.1398790864012365 |
| Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,-1.0259881819517067 |
| Cc1sc(C)c2c1CCCc1ncn(C)c1-2,-3.111598524880394 |
| Cc1sc(C)c2c1CCCc1nccn1-2,-2.478566495593843 |
| CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,-1.591064607026499 |
| Cc1sc(C)c2c1CCc1c[nH]nc1-2,-2.230448921378274 |
| Cn1cc2c(n1)-c1ccccc1CCC2,-2.705007959333336 |
| CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1,-2.2671717284030137 |
| Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1,-3.4913616938342726 |
| Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O,-3.3979400086720375 |
| CC(C)n1ncc2c1-c1c(Cl)sc(Cl)c1CCC2,-3.193958978019187 |
| Oc1ccc2c(c1)CCN2,-2.6989700043360187 |
| Cc1sc(C)c2c1CCCc1nnc(C)n1-2,-2.6646419755561257 |
| O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,-1.2041199826559248 |
| CCn1ncc2c1-c1c(C)sc(C)c1CCC2,-1.3424226808222062 |
| Clc1sc(Cl)c2c1CCCc1c[nH]nc1-2,-2.2278867046136734 |
| CCCn1ncc2c1-c1c(C)sc(C)c1CCC2,-1.9867717342662448 |
| Cc1sc(C)c2c1CCCc1cn(C)nc1-2,-2.357934847000454 |
| OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@H](O)[C@H]1O,-3.0791812460476247 |
| C1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1,-1.9867717342662448 |
| Clc1ccccc1CN1CC=C(c2nc3ccccc3s2)CC1,-1.9395192526186185 |
| C1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1,-1.9731278535996983 |
| Clc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1,-1.8325089127062364 |
| Clc1ccc2sc(C3=CCN(Cc4ccccc4)CC3)nc2c1,-1.6434526764861874 |
| Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4s3)CC2)cc1,-1.3222192947339193 |
| Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1,-1.0 |
| Clc1cccc(CN2CC=C(c3nc4ccccc4s3)CC2)c1,-0.9084850188786496 |
| Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1,-0.9242792860618816 |
| Clc1ccc2[nH]c(C3=CCN(Cc4ccccc4)CC3)nc2c1,-1.414973347970818 |
| C1=C(c2nc3ccccc3s2)CCN(Cc2ccccc2)C1,-0.6989700043360189 |
| Clc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1,-1.230448921378274 |
| Clc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1,-0.1139433523068367 |
| CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C,-1.740362689494244 |
| Cc1c(-c2ccccc2)nnn1C1CCN(Cc2ccccc2)CC1,-1.230448921378274 |
| COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1,-1.8312617203028216 |
| Cc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1,0.4089353929735008 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,-1.6088824508987194 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1,-1.93976877545335 |
| c1ccc(CN2CCC(c3cc(-c4ccccc4)[nH]n3)CC2)cc1,-1.041392685158225 |
| Cc1c(-c2ccccc2)cnn1C1CCN(Cc2ccccc2)CC1,-0.3979400086720376 |
| COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1,-1.8910354153153108 |
| Cc1cc(-c2ccccc2)n(C2CCN(Cc3ccccc3)CC2)n1,-2.146128035678238 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1,-1.8280473285887555 |
| Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,-1.255272505103306 |
| O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12,-2.2528530309798933 |
| Cc1c(C2CCN(Cc3ccccc3)CC2)n[nH]c1-c1ccccc1,-0.6720978579357175 |
| COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccn3n2)CC1,-1.6114046377115936 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1,-1.6020599913279625 |
| c1ccc(CN2CCC(n3nnnc3-c3ccccc3)CC2)cc1,-3.0791812460476247 |
| c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1,-1.1760912590556811 |
| Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1,-0.4913616938342727 |
| c1ccc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1,-1.505149978319906 |
| c1ccc(CN2CCC(n3nnc(-c4ccccc4)n3)CC2)cc1,-1.4313637641589874 |
| COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1,-1.146128035678238 |
| Cc1nn(C2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1,-0.4913616938342727 |
| c1ccc(CN2CCC(n3cnc(-c4ccccc4)c3)CC2)cc1,-1.6020599913279625 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1,-1.6434526764861874 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,-1.2563969967148252 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,-0.9497070722398088 |
| Cc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1,-0.0791812460476248 |
| Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(C#N)c2)CC1,-0.7160033436347992 |
| C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-3.989999901804907 |
| COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1,-1.4785664955938431 |
| COc1ccccc1N1CCN(CCNC(=O)c2cnn3ccccc23)CC1,0.1739251972991735 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1,-2.1293837162286167 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,-1.4771212547196624 |
| CCCN(CCC)C1CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1,-3.278753600952829 |
| CCCN(CCC)C1CCC(=C(C#Cc2ccccc2)C#Cc2ccccc2)CC1,-3.146128035678238 |
| O=C1c2ccccc2CCCN1CCN1CCC(n2c(O)nc3cc(F)ccc32)CC1,-3.0900004339126097 |
| CCCN(CCC)C1CC=C(C#Cc2ccccc2)CC1,-4.204119982655925 |
| C#CC(C#C)=C1CCC(N(CCC)CCC)CC1,-3.591064607026499 |
| CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,-1.7481880270062005 |
| N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,-1.255272505103306 |
| COc1ccc(OC)c(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)c1,-1.462397997898956 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,-0.4771212547196624 |
| COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-0.6989700043360189 |
| Cc1c(-c2ccc(F)cc2)nc(O)n1C1CCN(Cc2ccccc2)CC1,-0.2304489213782739 |
| O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1,-2.591064607026499 |
| C(#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1)c1ccccc1,-1.919078092376074 |
| C=C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-0.6989700043360189 |
| CC[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,-0.4771212547196624 |
| O=C(Nc1ccccn1)NC1CCN(Cc2ccccc2)CC1,-2.1760912590556813 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2cccc(Cl)c2)CC1,0.3372421683184259 |
| c1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1,-2.0 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2F)CC1,-1.4313637641589874 |
| CC(C)c1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,-1.0 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CF,-1.3222192947339193 |
| O=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1,-3.4313637641589874 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(CCc2ccccc2)CC1,0.2518119729937995 |
| C#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,-0.7708520116421442 |
| Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O,0.0757207139381183 |
| Cc1c(-c2cccc(Cl)c2)nc(O)n1C1CCN(Cc2ccccc2)CC1,-0.7160033436347992 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1CO,-1.0 |
| Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1,0.1249387366082999 |
| c1ccc(-c2c[nH]c(CN3CCN(c4ccccc4)CC3)c2)cc1,-1.0791812460476249 |
| Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1,-0.5440680443502757 |
| Cc1c(-c2ccccn2)nc(O)n1C1CCN(Cc2ccccc2)CC1,-0.6532125137753437 |
| Cc1cccc(CN2CCC(n3c(O)nc(-c4ccccc4)c3C)CC2)c1,0.4814860601221125 |
| COc1cccc(CN2CCC(n3c(O)nc(-c4ccccc4)c3C)CC2)c1,0.1938200260161128 |
| Cc1nc(O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1,-1.8512583487190752 |
| CCc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2ccccc2)CC1,0.0655015487564322 |
| COc1cc(Cl)ccc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,-0.4771212547196624 |
| O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1,-1.5314789170422551 |
| Cc1c(-c2cccs2)nc(O)n1C1CCN(Cc2ccccc2)CC1,-0.0 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(CC2CCCCC2)CC1,-0.3010299956639812 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,-1.6334684555795866 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1,-0.7781512503836436 |
| Cc1c(-c2ccc(Cl)cc2)nc(O)n1C1CCN(Cc2ccccc2)CC1,0.1487416512809247 |
| COc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,-0.6989700043360189 |
| COc1ccc(-c2nc(O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,-1.0791812460476249 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)c(F)c2Cl)CC1,-1.0791812460476249 |
| O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-3.24551266781415 |
| O=C(Nc1nccc2ccccc12)NC1CCN(Cc2ccccc2)CC1,-0.7403626894942439 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2ccccc2Cl)CC1,-0.3222192947339193 |
| COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1,-0.9030899869919436 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2ccccc2)CC1,0.2218487496163563 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1,-1.0791812460476249 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)CC1,-0.6020599913279624 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2cccc(C#N)c2)CC1,0.0177287669604316 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(F)c2)CC1,-0.7781512503836436 |
| Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1,-0.6532125137753437 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(CCCc2ccccc2)CC1,-0.7403626894942439 |
| Oc1nc(-c2ccccc2)cn1C1CCN(Cc2ccccc2)CC1,-1.255272505103306 |
| Cc1c(-c2ccccc2Cl)nc(O)n1C1CCN(Cc2ccccc2)CC1,-0.041392685158225 |
| N#Cc1c[nH]c(CN2CCN(c3ccccc3)CC2)c1,-1.3222192947339193 |
| C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)CC1,-0.785329835010767 |
| Cc1ccc(-c2nc(O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1,-0.041392685158225 |
| Cc1c(-c2ccccc2)nc(O)n1C1CCN(Cc2ccc(Cl)cc2)CC1,-0.1139433523068367 |
| CCOc1ccc(Cl)cc1CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1,-1.041392685158225 |
| Cc1ccc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1F,-0.3010299956639812 |
| CC1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,-3.0 |
| Cc1ccccc1N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1,-1.7993405494535817 |
| O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,-0.5440680443502757 |
| O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1,-0.7634279935629373 |
| CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,-0.6901960800285137 |
| CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,0.2676062401770315 |
| Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1,-0.7403626894942439 |
| O=c1ccc2ccc(CNCCCNc3ccccc3)cc2o1,-1.4913616938342726 |
| c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,-0.2787536009528289 |
| O=c1ccc2ccc(CN3CCC(c4ccccc4)CC3)cc2o1,-1.2787536009528289 |
| Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1,-1.0 |
| CCN(CCNCc1ccc2ccc(=O)oc2c1)c1ccccc1,-3.4255342204982635 |
| Cc1cccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)c1,-1.505149978319906 |
| O=c1ccc2ccc(CNCCNc3ccc(Cl)cc3)cc2o1,-1.146128035678238 |
| COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,-1.8506462351830664 |
| C=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,-1.6720978579357175 |
| O=c1ccc2ccc(CN3CCN(c4ccccc4)CC3)cc2o1,-1.4313637641589874 |
| Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1Cl,-0.8388490907372553 |
| Clc1ccccc1CCN1CCN(c2[nH]nc3c2CCc2ccccc2-3)CC1,-0.6334684555795865 |
| CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,-1.3617278360175928 |
| Cc1cccc(N2CCN(Cc3ccc4oc(=O)ccc4c3)CC2)c1,-1.869231719730976 |
| O=c1ccc2ccc(CN3CC=C(c4ccccc4)CC3)cc2o1,-0.6434526764861874 |
| NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1,-0.7160033436347992 |
| CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,-1.0791812460476249 |
| CC(C)(C)c1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,-2.3560258571931225 |
| CCN(CCNc1ccccc1)Cc1ccc2ccc(=O)oc2c1,-2.6127838567197355 |
| O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,-0.4623979978989561 |
| CN1CCC(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,-3.4313637641589874 |
| O=c1ccc2cc(CNCCNc3ccccc3)ccc2o1,-2.4927603890268375 |
| CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1,0.0457574905606751 |
| Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1,-1.7853298350107671 |
| CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21,-2.9684829485539352 |
| O=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1,-1.4771212547196624 |
| Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1C,-1.3222192947339193 |
| O=c1ccc2ccc(CNCCOc3ccccc3)cc2o1,-1.6334684555795866 |
| CN1CCN(C2=Nc3ccccc3Nc3ccccc32)CC1,-2.6232492903979003 |
| CN1CCN(C2=Cc3cc(Cl)ccc3Cc3ccccc32)CC1,-3.462397997898956 |
| CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,-3.4313637641589874 |
| Cc1ccc(N2CCN(Cc3ccc4oc(=O)ccc4c3)CC2)cc1,-1.041392685158225 |
| O=c1ccc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2o1,-1.968482948553935 |
| Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl,-1.2041199826559248 |
| C=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21,-2.5185139398778875 |
| c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1,-0.568201724066995 |
| CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1,-0.0 |
| O=c1ccc2ccc(NCCNc3ccccc3)cc2o1,-0.7634279935629373 |
| c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-0.9030899869919436 |
| CN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1,-0.3010299956639812 |
| COc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,-1.8750612633917 |
| Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1C,-1.146128035678238 |
| O=c1ccc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2o1,-1.7708520116421442 |
| CC1CCN(Cc2c[nH]c3ccccc23)CC1,-2.7558748556724915 |
| C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2ccccc21,-2.4771212547196626 |
| CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1,-2.0791812460476247 |
| O=c1ccc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2o1,-3.4313637641589874 |
| CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1,-1.2041199826559248 |
| Cc1ccccc1N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1,-1.2041199826559248 |
| Cc1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1,-1.230448921378274 |
| c1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-1.3979400086720375 |
| CN1CCN(Cc2cnn3ccccc23)CC1,-3.863322860120456 |
| Oc1ccc(OCCNCc2ccccc2)cc1,-2.4424797690644486 |
| Ic1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,-0.4771212547196624 |
| Clc1cccc(N2CCN(Cc3cnn4ccccc34)CC2)c1,-0.6020599913279624 |
| Oc1ccccc1OCCNCc1ccccc1,-2.4727564493172123 |
| CS(=O)(=O)Nc1cccc(OCCNCc2ccccc2)c1,-2.6989700043360187 |
| O=C(c1cnn2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,-4.361727836017593 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1,-1.7000110623221123 |
| Clc1ccc(N2CCN(Cc3cnn4ccc5ccccc5c34)CC2)cc1,-3.255272505103306 |
| Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2,-1.2201080880400552 |
| Clc1ccc(N2CCN(Cc3cnc4ccccn34)CC2)cc1,-1.1139433523068367 |
| Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,-1.9628426812012425 |
| Clc1ccccc1N1CCN(Cc2cnn3ccccc23)CC1,-0.4771212547196624 |
| Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2,-2.0644579892269186 |
| c1ccn2ncc(CN3CCN(C4CCCCC4)CC3)c2c1,-3.653212513775343 |
| CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl,-2.1367205671564067 |
| Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-0.1303337684950061 |
| c1ccc(CNCCOc2ccccc2)cc1,-1.9731278535996983 |
| Clc1ccc(N2CCN(Cc3cnn4c3ccc3ccccc34)CC2)cc1,-2.146128035678238 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,-1.8000293592441343 |
| Clc1ccc(N2CCN(Cc3cnn4c3CCCC4)CC2)cc1,-1.0969100130080565 |
| c1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1,-1.230448921378274 |
| c1ccc(CN2CCN(c3ccccc3)CC2)cc1,-2.4265112613645754 |
| Clc1ccc(N2CCN(Cc3cnc4ncccn34)CC2)cc1,-2.462397997898956 |
| Nc1cc(OCCNCc2ccccc2)ccc1Cl,-1.434568904034199 |
| Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0.2924298239020636 |
| CCCN1CCc2nn3ccccc3c2C1,-1.9395192526186185 |
| CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1,-1.6989700043360187 |
| Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)cc1,-1.6434526764861874 |
| Cc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1,-0.3979400086720376 |
| COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,-1.9395192526186185 |
| CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1,-1.7708520116421442 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CCCC2CCC3)C1,-0.5797835966168101 |
| CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)CCc2ccccc21,-3.3925210899319325 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1,-0.3222192947339193 |
| COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,-0.2787536009528289 |
| CN1C(=O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21,-0.6020599913279624 |
| CCN1C(=O)C(CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,-3.846213363879387 |
| C=CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,-0.1139433523068367 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCNC1,-3.342422680822206 |
| CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1Cl,-0.4983105537896005 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2C3CC4CC(C3)CC2C4)C1,-0.6434526764861874 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CCc2ccccc2)C1,-0.5314789170422551 |
| COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12,-1.1139433523068367 |
| COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(I)c2ccccc12,-0.3521825181113625 |
| COc1cc(NC(=O)C(C)C)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,-0.4771212547196624 |
| Fc1ccc2[nH]c(CN3CCN(c4ccccn4)CC3)cc2c1,-0.5563025007672873 |
| C#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c2ccccc12,-0.6766936096248666 |
| O=C1Nc2ccccc2CC1N1CCN(Cc2ccc(Cl)cc2)CC1,-2.0 |
| Cc1ccc(CN2CCN(C3CCc4ccccc4N(C)C3=O)CC2)cc1,-3.641176546613114 |
| COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,-0.505149978319906 |
| CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl,-0.919078092376074 |
| COc1cc(NC(=O)C2CCCCC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1,-2.041392685158225 |
| CNc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl,0.1739251972991735 |
| CCC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl,-0.1760912590556812 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C2CCCCCC2)C1,-0.4313637641589873 |
| COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCCCC2)C1,-0.5185139398778874 |
| Cc1c(C2CCN(CCc3ccccc3)CC2)n[nH]c1-c1ccc(Cl)cc1,-0.0791812460476248 |
| Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1,-0.6989700043360189 |
| CCN1C(=O)C(N2CCN(Cc3ccc(C)cc3)CC2)CCc2ccccc21,-3.4712917110589387 |
| Cc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C,-0.1760912590556812 |
| Cc1ccc(C)c(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,-0.5797835966168101 |
| Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1,-0.5563025007672873 |
| CCCNC1CCc2c(cccc2OC)C1,-2.6857417386022635 |
| CCCN(CCC)C1CCc2c(cccc2OC)C1,-2.8020892578817325 |
| CCCN(CCc1cccs1)C1CCc2c(cccc2OC2CCCC2)C1,-2.510545010206612 |
| CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1,-1.7323937598229686 |
| CCNC1CCc2c(cccc2OC)C1,-3.1815577738627865 |
| CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1,-1.8573324964312683 |
| CCCN(C)C1CCc2ccc(O)cc2C1,-1.505149978319906 |
| CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1,-1.3424226808222062 |
| CCCNC1CCc2c(O)cccc2C1,-1.8808135922807911 |
| CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1,-1.7323937598229686 |
| CCCNC1CCc2ccc(O)cc2C1,-2.429752280002408 |
| COc1cccc2c1CCC(N(C)C)C2,-2.8656960599160706 |
| CN(C)C1CCc2ccc(O)cc2C1,-2.8627275283179747 |
| CCN(C)C1CCc2ccc(O)cc2C1,-3.0141003215196207 |
| CCN(CC)C1CCc2c(cccc2OC)C1,-2.984077033902831 |
| CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,-1.740362689494244 |
| CNC1CCc2c(cccc2OC)C1,-2.780317312140151 |
| CCCN1COC[C@@H]2c3cc(O)ccc3OC[C@H]21,-3.845098040014257 |
| CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,-2.08278537031645 |
| Cc1nn2c(C#N)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,-0.3617278360175928 |
| COc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3,-0.8976270912904414 |
| Cc1nn2c(-c3ccc(F)cc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,-1.9395192526186185 |
| Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,-0.5563025007672873 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1Cl)CC3,-1.5314789170422551 |
| Clc1ccc(-c2cc(C3CCCN(Cc4ccccc4)C3)[nH]n2)cc1,-2.6127838567197355 |
| CC1(c2cc(-c3ccc(Cl)cc3)[nH]n2)CCN(Cc2ccccc2)CC1,-1.6720978579357175 |
| Cc1c(C2CCN(Cc3ccccc3)CC2)n[nH]c1-c1ccc(Cl)cc1,-0.2041199826559248 |
| O=C(/C=C(\O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,-1.0791812460476249 |
| Cc1c(-c2ccccc2)n[nH]c1C1=CCN(CCc2ccccc2)CC1,-0.4913616938342727 |
| Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(Cc3ccccc3)CC2)n1,-0.0 |
| O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2,-0.380211241711606 |
| Clc1ccc(N2CCN(Cc3cnn4c(N5CCN(Cc6ccccc6)CC5)cccc34)CC2)cc1,-2.255272505103306 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3,-0.414973347970818 |
| c1ccc(CCN2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)cc1,-1.7160033436347992 |
| CCc1c(C2CCN(Cc3ccccc3)CC2)n[nH]c1-c1ccc(Cl)cc1,-0.1760912590556812 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,-0.6334684555795865 |
| CCCN[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C,-2.79309160017658 |
| Clc1ccc(-c2cc(C3CCN(CC4CCCCC4)CC3)[nH]n2)cc1,-1.1139433523068367 |
| Cc1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,-2.161368002234975 |
| c1ccc(CCN2CCC3(CCc4c3n[nH]c4-c3ccccc3)CC2)cc1,-2.9684829485539352 |
| Cc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1,-0.6720978579357175 |
| N#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,-0.1760912590556812 |
| Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1,-0.9590413923210936 |
| OCc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,-2.041392685158225 |
| OCc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn2c1,-1.295567099962479 |
| Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,-1.041392685158225 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cccc(Cl)c1)CC3,-1.230448921378274 |
| C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,-0.084576277934331 |
| COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC,-1.6803355134145632 |
| Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,-0.4307198878632822 |
| CN1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1,-3.0791812460476247 |
| C#Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(C)nn12,-0.1760912590556812 |
| Cc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1,-2.6720978579357175 |
| c1ccc(CCN2CCC(c3cc(-c4ccccn4)[nH]n3)CC2)cc1,-1.3424226808222062 |
| CC1(C(=O)/C=C(\O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,-2.5440680443502757 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3,-0.9395192526186184 |
| Clc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1,-2.041392685158225 |
| Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(F)cc1)CC3,-0.8750612633917001 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)c(Cl)c1)CC3,-1.7853298350107671 |
| Cc1nn2c(N3CCN(Cc4ccccc4)CC3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,-1.414973347970818 |
| Clc1ccc(-c2cc(C3CCCCN3Cc3ccccc3)[nH]n2)cc1,-3.681241237375587 |
| Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1,-2.041392685158225 |
| COc1cc(Br)cc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,-2.903089986991944 |
| Clc1ccc(-c2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]n2)cc1,-1.7781512503836436 |
| c1ccc(CCN2CCC(c3cc(C4CCCCC4)n[nH]3)CC2)cc1,-1.0 |
| c1ccc(CCN2CCC(c3cc(-c4cccs4)[nH]n3)CC2)cc1,-1.2787536009528289 |
| COc1ccc2c3c(c(=O)oc2c1OC)CN(Cc1ccccc1)CC3,-1.2041199826559248 |
| COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)cc(OC)c1OC)CC2,-2.423245873936808 |
| Clc1ccc(N2CCN(Cc3cnn4c(-c5ccccc5)cccc34)CC2)cc1,-0.8808135922807914 |
| C[Si](C)(C)c1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,-0.4471580313422192 |
| COc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccccc1)CC3,-2.6232492903979003 |
| Cc1nn2c(-c3ccccc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1,-1.568201724066995 |
| c1ccc(CCN2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1,-1.3617278360175928 |
| CCCN[C@@H]1CCc2c(C(=O)OC)cccc2[C@@H]1C,-3.2022157758011316 |
| O=Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12,-0.414973347970818 |
| COc1cc2oc(=O)c3c(c2cc1OC)CCN(Cc1ccc(Cl)cc1)C3,-0.9294189257142929 |
| c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1,-2.204119982655925 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3,-0.1760912590556812 |
| COc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1,-1.9242792860618816 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC3,-0.8750612633917001 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccncc1)CC3,-1.869231719730976 |
| c1ccc(CCN2CCC(c3cc(-c4cccnc4)[nH]n3)CC2)cc1,-1.3617278360175928 |
| COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3,-0.9138138523837168 |
| Cc1cccn2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)c12,-1.6989700043360187 |
| Clc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1,-1.3010299956639813 |
| Fc1ccc(-c2cccc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cnn23)cc1,-1.462397997898956 |
| COc1cccc(C(=O)NCCN2CCN(c3ccccn3)CC2)c1,0.2006594505464183 |
| COc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1,-1.869231719730976 |
| COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,-0.255272505103306 |
| COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc34)CC2)c1,-2.225309281725863 |
| O=[N+]([O-])c1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1,-1.7708520116421442 |
| c1ccc(CC2CCN(CCCOc3cccc4ccccc34)CC2)cc1,-1.6989700043360187 |
| COc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,-0.4913616938342727 |
| COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1,-0.3617278360175928 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,-2.781036938621132 |
| c1ccc(-c2nc(CN3CCN(c4cccnc4)CC3)c[nH]2)cc1,-1.863322860120456 |
| c1ccc(-c2nc(CN3CCN(c4ccncn4)CC3)c[nH]2)cc1,-3.146128035678238 |
| COc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,-0.9542425094393248 |
| COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cn3)CC2)c1,-0.5965970956264602 |
| c1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)c[nH]2)cc1,-1.6989700043360187 |
| COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1,0.6777807052660807 |
| COc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1,1.6020599913279625 |
| COc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,-2.537819095073274 |
| OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(F)cc2)CC1,-1.505149978319906 |
| OC(COc1cccc2ccccc12)CN1CCC(Sc2ccccc2)CC1,-1.505149978319906 |
| c1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)c[nH]2)cc1,-0.9294189257142929 |
| OC(COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1,-1.6532125137753435 |
| COc1cccc(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)c1,-1.740362689494244 |
| Cc1ccc(CC2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1,-1.7160033436347992 |
| OC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,-1.414973347970818 |
| COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1,0.585026652029182 |
| COc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)c1,1.3979400086720375 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,-2.568201724066995 |
| OC(COc1cccc2ccccc12)CN1CCC(Oc2ccccc2)CC1,-1.255272505103306 |
| COc1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1,-0.3424226808222063 |
| COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,-2.8573324964312685 |
| OC(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1,-1.5314789170422551 |
| COc1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1,-2.089905111439398 |
| OC(COc1ccc(Cl)cc1)CN1CCC(Cc2ccccc2)CC1,-1.255272505103306 |
| Cc1[nH]c(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1,-0.7781512503836436 |
| COc1ccc(N2CCN(CCNC(=O)c3cccc(OC)c3)CC2)cc1,-1.3483048630481609 |
| COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1,-1.8034571156484136 |
| COc1cccc(C(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1,-0.8796692056320535 |
| CC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,-1.8573324964312683 |
| c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c[nH]2)cc1,-0.6434526764861874 |
| COC(COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1,-1.6532125137753435 |
| COc1cccc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,-0.8633228601204559 |
| COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,-2.8573324964312685 |
| COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,1.744727494896694 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,-2.45178643552429 |
| COc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1,-1.041392685158225 |
| N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1,-0.7558748556724915 |
| N#CC(C#N)=Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,-0.5910646070264992 |
| N#CC(C#N)=Cc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]1,-1.041392685158225 |
| N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccccc2)CC1,-2.204119982655925 |
| c1ccc(CNC[C@H]2CCc3ccc4[nH]ccc4c3O2)cc1,-3.3372595397502756 |
| FC(F)(F)c1nc2c3c(ccc2[nH]1)CCC(CNCc1ccccc1)O3,-1.568201724066995 |
| O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,-2.5550944485783194 |
| N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1,-2.096910013008056 |
| COc1ccc(N2CCN(CCC3OCCc4cc(C(N)=O)ccc43)CC2)cc1,-3.022840610876528 |
| COc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,-0.380211241711606 |
| N#CC(C#N)=Cc1ccc(CN2CCN(c3ccccc3)CC2)[nH]1,-0.9684829485539352 |
| COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,-1.8129133566428557 |
| CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1,-2.4345689040341987 |
| CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C,-3.204119982655925 |
| COc1ccccc1N1CCN(CCNC2=Nc3ccccc3OC2)CC1,-0.4771212547196624 |
| CCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,-0.9015400504335024 |
| c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccc4)CCN3C2)cc1,-0.2041199826559248 |
| CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,-1.3010299956639813 |
| CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,-2.499687082618404 |
| c1ccc(OC[C@@H]2CC[C@H]3CN(c4ccccn4)CCN3C2)cc1,-0.2304489213782739 |
| Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,-0.4471580313422192 |
| COC(=O)c1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,-2.103803720955957 |
| Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(Cl)cn4)CCN3C2)cc1,-0.505149978319906 |
| Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CCN3C2)cc1,-0.724275869600789 |
| COc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1,-1.255272505103306 |
| CC1CN(CCCCNC(=O)C(C)(C)C)CCN1c1ccc(Cl)cc1,-1.8000293592441343 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1,-2.500003068051693 |
| CC1(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,-1.0 |
| CCCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,-1.4999618655961902 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(F)cc2)CC1,-2.099991233544684 |
| CCCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,-1.1000257301078626 |
| CC1(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1,-0.899984562549391 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccccc2Cl)CC1,-1.899984562549391 |
| CC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,-1.4000196350651586 |
| COc1cc(Cl)ccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,-1.2000292665537704 |
| CC(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,-2.099991233544684 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Br)cc2)CC1,-1.4999618655961902 |
| CCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,-1.2000292665537704 |
| CCCC(C)(C)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1,-0.899984562549391 |
| O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,-0.7000110623221123 |
| CC(C)(C)C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1,-2.300008202553813 |
| CC(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,-3.100001582801352 |
| O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2,-1.299942900022767 |
| CC(C)(C)C(=O)NCCCCN1CCN2c3ccc(Cl)cc3CCC2C1,-1.8000293592441343 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1,-1.7000110623221123 |
| O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,-2.200001865406602 |
| COc1ccc(N2CCN(CCCCNC(=O)C(C)(C)C)CC2)cc1,-2.500003068051693 |
| CC(C)(C)C(=O)NCCCCCN1CCN(c2ccc(Cl)cc2)CC1,-2.099991233544684 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2cccc(Cl)c2)CC1,-2.0 |
| COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1,-1.1000257301078626 |
| CC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1,-1.1000257301078626 |
| COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,-0.1139433523068367 |
| c1c[nH]c2nc(CN3CCc4ccccc4C3)cc-2c1,-1.7708520116421442 |
| c1ccc(CCC2CCN(Cc3cc4ccc[nH]c-4n3)CC2)cc1,-0.3010299956639812 |
| COc1ccc(N2CCN(CCc3c[nH]c4ncccc34)CC2)cc1,-1.414973347970818 |
| C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,-0.8129133566428556 |
| Clc1ccc(N2CCN(CCc3cc4ccc[nH]c-4n3)CC2)cc1,-1.0681858617461617 |
| c1ccc2c(c1)CCN(Cc1c[nH]c3ncccc13)C2,-0.8450980400142568 |
| C1=C(/C=C/c2ccccc2)CCN(CCc2cc3ccc[nH]c-3n2)C1,-1.4771212547196624 |
| C1=C(c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1,-1.5314789170422551 |
| c1ccc(CCC2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,-0.255272505103306 |
| O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,-0.8992731873176038 |
| CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O,-3.857332496431269 |
| COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,-3.9190780923760737 |
| Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1,-2.963787827345555 |
| C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,-1.6901960800285136 |
| Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.755874855672491 |
| Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.4771212547196626 |
| Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.690196080028514 |
| CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,-2.0681858617461617 |
| CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1,-0.6989700043360189 |
| O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,-3.8750612633917 |
| Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.633468455579586 |
| N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1,-3.845098040014257 |
| Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.806179973983887 |
| Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1,-3.5563025007672873 |
| COc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1,-1.4999618655961902 |
| O=C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1,-1.4000196350651586 |
| COc1cc2ccccc2cc1COCC1CCN(Cc2ccccc2)CC1,-1.4999618655961902 |
| COc1cc2ccccc2cc1C(=O)NCC1CCN(Cc2ccccc2)CC1,-1.3004867879860291 |
| COc1cc2ccccc2cc1OCCC1CCN(Cc2ccccc2)CC1,-1.4000196350651586 |
| COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)CC1,-0.7000110623221123 |
| COc1cc2ccccc2cc1CC(=O)CC1CCN(Cc2ccccc2)CC1,-2.300008202553813 |
| COc1cc2ccccc2cc1OC(=O)CC1CCN(Cc2ccccc2)CC1,-0.8000293592441343 |
| COc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1,-0.599992177584098 |
| COc1cc2ccccc2cc1C(=O)OCC1CCN(Cc2ccccc2)C1,-1.299942900022767 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(Cl)cccc21,-2.9965116721541785 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,-0.7781512503836436 |
| CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21,-2.0 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1,-0.8450980400142568 |
| COc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-3.805636766305935 |
| O=C1COc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,-2.717670503002262 |
| Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,-0.7075701760979364 |
| COc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,-0.8260748027008264 |
| CC1CCc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-1.977723605288848 |
| C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc21,-3.133858125203335 |
| Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,-0.3010299956639812 |
| Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C,-0.255272505103306 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOc2ccccc21,-2.632457292184724 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1,-1.3222192947339193 |
| O=C1Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,-0.9030899869919436 |
| O=C1COc2ccc(CN3CCN(c4ccccc4)CC3)cc2N1,-1.2624510897304295 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1,-0.6020599913279624 |
| Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,-0.414973347970818 |
| CC(C)CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-2.7937903846908188 |
| Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,-0.8450980400142568 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2F)CC1,-1.6020599913279625 |
| Cc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-1.568201724066995 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21,-1.6720978579357175 |
| O=C(CN1CCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-3.5859117103194342 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccccc2Cl)CC1,-1.462397997898956 |
| C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)N1CCc2ccccc21,-2.525044807036845 |
| Cc1ccc(C)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,-0.9030899869919436 |
| Cc1cccc2c1CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-2.6646419755561257 |
| Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,-2.8870543780509568 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2[C@H]2CCCC[C@H]21,-2.8609366207000937 |
| COc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1,-1.0 |
| O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,-1.863322860120456 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1,-1.0791812460476249 |
| COc1ccccc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,-1.3979400086720375 |
| Cc1cccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)c1,-0.6989700043360189 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1,-3.759290033024304 |
| CC(C)c1ccc(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1,-1.0791812460476249 |
| Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,-0.414973347970818 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2c(F)cccc21,-2.161368002234975 |
| CC1(C)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-0.6334684555795865 |
| Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1F,-0.4771212547196624 |
| COc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,-0.6989700043360189 |
| CC1CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,-1.9822712330395684 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1,-2.1271047983648077 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1,-1.0791812460476249 |
| Cc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,-0.4471580313422192 |
| CC1Cc2ccccc2N1C(=O)CN1CCC(Cc2ccc(Cl)cc2)CC1,-3.861175835513029 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1,-0.6020599913279624 |
| CN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1,-1.462397997898956 |
| COc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,-1.089905111439398 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(Cl)cc21,-2.8457180179666586 |
| CSc1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-2.3710678622717363 |
| O=c1sc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1,-0.4771212547196624 |
| CC(c1ccc(Cl)cc1)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1,-1.8260748027008264 |
| O=C1COc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2N1,-1.795184589682424 |
| CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-2.3710678622717363 |
| O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1,-0.785329835010767 |
| Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,-0.8388490907372553 |
| CC(C(=O)N1CCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-2.44870631990508 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21,-3.530711837981657 |
| O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21,-2.8609366207000937 |
| COc1ccc(C2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,-0.5797835966168101 |
| Cc1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1,-0.6334684555795865 |
| Cc1cccc2c1N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)CC2,-1.6812412373755872 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCCC2,-3.193958978019187 |
| CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-1.568201724066995 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1,-0.7781512503836436 |
| Cc1ccc(N2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1,-1.0293837776852095 |
| CC(C)C1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-2.739572344450092 |
| CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,-1.6989700043360187 |
| Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4CC3C)CC2)cc1C,-0.6020599913279624 |
| CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,-0.6989700043360189 |
| O=C1C(=O)N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,-2.413299764081252 |
| Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)CC2C,-1.9084850188786495 |
| C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc21,-1.146128035678238 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCC2,-1.5563025007672873 |
| CC1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C,-2.03342375548695 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCSc2ccccc21,-1.1522883443830565 |
| O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2ccc(Cl)cc2)CC1,-1.1139433523068367 |
| O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,-0.6334684555795865 |
| CCC1(CC)Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1,-1.4913616938342726 |
| CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,-0.3010299956639812 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(F)cc21,-1.7075701760979365 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCC2CCCCC21,-2.8609366207000937 |
| O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCSc2ccccc21,-1.7708520116421442 |
| O=S1(=O)Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)CC1,-0.8450980400142568 |
| COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1,-2.369215857410143 |
| O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,0.4467239538629006 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,-2.574031267727719 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,-2.716003343634799 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,-3.247973266361807 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,-3.0293837776852097 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,-3.0086001717619175 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1,-1.6232492903979006 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1,-2.7403626894942437 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1,-1.4913616938342726 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1,-2.113943352306837 |
| Cc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1,-0.9344984512435676 |
| COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1,-0.0969100130080564 |
| COc1cccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1,-1.6288995644206066 |
| COc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1,-1.9774949690730363 |
| Cc1cccc(NC(=O)CN2CCN(c3ccc(C(c4ccccc4)c4ccccc4)cc3)CC2)c1,-2.241795431295199 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,-1.230448921378274 |
| Nc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)c1,-1.380211241711606 |
| CSc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,-1.230448921378274 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccccc2)cc1,-0.4771212547196624 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(-c2ccccc2)c1,-0.6020599913279624 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(F)cc2)cc1,-0.9030899869919436 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2cccc(F)c2)cc1,-1.230448921378274 |
| O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(Cl)cc2)cc1,-0.6989700043360189 |
| O=Cc1ccccc1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1,-1.5563025007672873 |
| O=Cc1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc2)cc1,-1.845098040014257 |
| O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2cccs2)c1,-0.1760912590556812 |
| COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2,-2.7371926427047373 |
| CN1CCOc2cc(O)ccc2Cc2ccccc2CC1,-2.574031267727719 |
| CN(C)CCOc1ccccc1Cc1ccccc1,-3.441695135640717 |
| c1ccc(Cc2ccccc2OCCN2CCCC2)cc1,-3.1547282074401557 |
| c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,-3.650890077856313 |
| c1ccc(Cc2ccccc2OCCN2CCOCC2)cc1,-3.811843006176477 |
| c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,-3.1007150865730817 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,-2.5599066250361124 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1,-1.5314789170422551 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,-1.6434526764861874 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1,-2.113943352306837 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,-2.0 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1,-1.8808135922807911 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,-1.9867717342662448 |
| COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1,-0.99563519459755 |
| O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,-1.230448921378274 |
| CCCNC1CCn2ncc(C(=O)OC)c2C1,-4.954242509439325 |
| CCCN(CCC)C1CCn2ncc(CO)c2C1,-4.204119982655925 |
| CCCN(CCC)C1CCn2ncc(C=O)c2C1,-4.146128035678238 |
| O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,-1.146128035678238 |
| O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,-1.3222192947339193 |
| O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1,-1.8920946026904804 |
| O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1,-1.7160033436347992 |
| O=C(N[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(-c2cccs2)cc1,-1.3424226808222062 |
| Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(-c4cccs4)c3)C2)cc1,-0.6020599913279624 |
| O=C(N[C@H]1CCN(Cc2ccc(Cl)cc2)C1)c1cccc(-c2cccs2)c1,-1.2041199826559248 |
| COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4cccs4)cc3)C2)c1,-1.146128035678238 |
| O=C(N[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1)c1ccc(-c2cccs2)cc1,-0.8450980400142568 |
| O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1)c1ccc(-c2cccs2)cc1,-0.6989700043360189 |
| O=C(N[C@H]1CCN(Cc2ccccc2F)C1)c1ccc(-c2cccs2)cc1,-1.5185139398778875 |
| O=C(N[C@H]1CCN(Cc2ccc(F)c(F)c2)C1)c1ccc(-c2cccs2)cc1,-1.146128035678238 |
| O=C(N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1,-1.1760912590556811 |
| Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O[11CH3])cc34)CC2)c1=O,-0.9294189257142929 |
| CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,-2.5780658838360915 |
| COc1cc2c(cc1OC)Cc1ccccc1CCN(C)CC2,-3.400365273349939 |
| CN1CCc2ccccc2Cc2ccccc2CC1,-2.1492191126553797 |
| CN1CCc2ccccc2Cc2ccn(C)c2CC1,-3.2166935991697545 |
| CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1,-1.271841606536499 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,-2.146128035678238 |
| O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-1.255272505103306 |
| COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,-1.5185139398778875 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-2.0791812460476247 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,-0.9361785093615892 |
| COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,-3.399673721481038 |
| c1ccc(N2CCN(Cc3cnn(-c4ccccn4)c3)CC2)cc1,-0.4124605474299613 |
| C1=C(c2ccccc2)CCN(Cc2cn(-c3ccccc3)nn2)C1,-0.505149978319906 |
| c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,-1.3010299956639813 |
| C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1,0.2291479883578558 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)nn2)CC1,-0.4313637641589873 |
| c1ccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,-0.99563519459755 |
| Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1,-0.7221401254574156 |
| c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1,-2.4913616938342726 |
| Cc1nn(-c2ccccc2)cc1CN1CCN(c2ccccc2)CC1,-0.0 |
| COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,0.5528419686577808 |
| Fc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1,0.152458186731824 |
| Fc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,-0.4611982886224932 |
| Clc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,-0.4611982886224932 |
| c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,-0.0 |
| COc1ccccc1N1CCN(Cc2cnn(-c3ccccn3)c2)CC1,0.3582780752341675 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1,0.0757207139381183 |
| COc1ccccc1N1CCN(Cc2cn3c(-n4cccn4)cccc3n2)CC1,0.0268721464003013 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-n4cccn4)c3n2)CC1,-0.2041199826559248 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(N4CCOCC4)c3n2)CC1,-0.3617278360175928 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(C#N)c3n2)CC1,-0.1139433523068367 |
| Clc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1Cl,0.00436480540245 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1,0.2757241303992109 |
| COc1ccccc1N1CCN(Cc2cn3cc(C)cc(Br)c3n2)CC1,0.00436480540245 |
| COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1,0.4814860601221125 |
| COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1,0.6020599913279624 |
| CN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1,-3.278753600952829 |
| Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl,-2.0791812460476247 |
| Fc1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,-3.447158031342219 |
| Fc1ccc(N2CCN(Cc3cn4ccncc4n3)CC2)cc1,-2.6989700043360187 |
| Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,-0.3010299956639812 |
| COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1,-0.2041199826559248 |
| Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1,-0.1139433523068367 |
| Fc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1,-0.6020599913279624 |
| Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,-0.8450980400142568 |
| COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1,-0.4471580313422192 |
| Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1Cl,-0.0773679052841564 |
| Fc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1,-1.6434526764861874 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,-1.3579348470004535 |
| CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,-1.57978359661681 |
| N#CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,-1.944482672150169 |
| CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1,-2.225309281725863 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1C,-1.0569048513364727 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1,-1.130333768495006 |
| CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(C#N)c1,-1.3031960574204888 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,-1.582063362911709 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1,-1.8524799936368563 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1,-0.8061799739838872 |
| CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(C)c1,-1.0644579892269186 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(C)c(C)c1,-1.4393326938302626 |
| CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1,-2.113943352306837 |
| CO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1,-1.826722520168992 |
| CO/N=C(\CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,-3.311753861055754 |
| CO/N=C(/c1ccc(Cl)cc1)C(C)CN1CCN(c2ccccn2)CC1,-2.5390760987927767 |
| CO/N=C(/c1ccc(Cl)cc1)C(CNOC)CN1CCN(c2ccccn2)CC1,-2.0791812460476247 |
| O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1,-1.404833716619938 |
| CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1,-2.9395192526186187 |
| CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1,-2.989894563718773 |
| Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,-3.6853834098014873 |
| Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,-3.271841606536499 |
| CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1,-2.907411360774586 |
| CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1,-3.3010299956639813 |
| COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21,-3.257678574869185 |
| CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,-2.03342375548695 |
| CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1,-1.9929950984313416 |
| CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1,-2.2648178230095364 |
| Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2,-1.9542425094393248 |
| CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,-0.9493900066449128 |
| Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1,-1.230448921378274 |
| Cc1cc(F)ccc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1,-2.6074550232146687 |
| Cc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1,-2.4683473304121573 |
| Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1,-3.1598678470925665 |
| COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1,-0.1139433523068367 |
| Cc1cccc(C(=O)NCN2CCC(c3ccccn3)CC2)c1,-1.505149978319906 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc([18F])n3)cc2)CC1,-1.4471580313422192 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc([18F])nc3)cc2)CC1,-1.5314789170422551 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1,-1.3800302479678306 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,-3.2299990659492916 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3o2)CC1,-1.7599698575543072 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2o1,-3.490000641890952 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1,-1.2299376859079338 |
| C#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)sc2c1,-2.1800111190577174 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3s2)CC1,-1.6500159524718383 |
| C#Cc1ccc2sc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2c1,-1.4899584794248346 |
| O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,-2.379994040165742 |
| COc1ccc(C(=O)NCCCCN2CCN(c3ccccc3Cl)CC2)cc1OC,-2.229988836544811 |
| O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-2.450002630173186 |
| O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,-2.300008202553813 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1,-2.780000298336571 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccc(C#N)cc3[nH]2)CC1,-1.599992177584098 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1,-1.2000292665537704 |
| Clc1ccc(N2CCN(Cc3cnn4c(I)cccc34)CC2)cc1,-0.7000110623221123 |
| N#Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1,-2.800001827817969 |
| CCCc1c(C(=O)NCCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,-1.599992177584098 |
| CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br,-1.880012838366772 |
| COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,-1.6200318951262973 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1,-1.9599948383284165 |
| CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccc(OC)cc1,-2.109983294819892 |
| COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,-2.4299943841517067 |
| COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1,-2.459995256047391 |
| COc1ccc(Cn2nnc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2C)cc1,-2.450002630173186 |
| CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1,-2.4800069429571505 |
| CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,-2.340007617996673 |
| COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,-2.200001865406602 |
| Cc1c(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,-2.400002345927956 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2nnn(Cc3ccccc3)c2C)CC1,-2.9900012350346614 |
| Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1,-2.450002630173186 |
| c1ccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)cc1,-0.5100085129402347 |
| c1ccc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1,0.2300321986705575 |
| O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12,-2.2095150145426308 |
| O=C(NC1CCN(CCCCc2ccccc2)CC1)c1cccc2ccccc12,-2.558708570533166 |
| O=C(NC1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12,-1.8512583487190752 |
| O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2ccccc12,-2.361727836017593 |
| O=C(c1ccc2ccccc2c1)N1CCC(NCCCc2ccccc2)CC1,-2.346352974450639 |
| O=C(c1ccc2ccccc2c1)N1CCC(NCCc2ccccc2)CC1,-2.322219294733919 |
| O=C(c1ccc2ccccc2c1)N1CCC(NCc2ccccc2)CC1,-2.2227164711475833 |
| O=C(NC1CCN(CCCCc2ccccc2)CC1)c1ccc2ccccc2c1,-2.44870631990508 |
| O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc2ccccc2c1,-1.7993405494535817 |
| CC(c1ccccc1)N1CCC(NC(=O)c2ccc3ccccc3c2)CC1,-1.462397997898956 |
| O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1,-2.143014800254095 |
| O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1,-1.041392685158225 |
| O=C(NC[C@H]1C[C@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,-3.164352855784437 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,-3.089905111439398 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,-3.173186268412274 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,-2.6283889300503116 |
| O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,-3.6646419755561257 |
| CN1CCCc2cc(O)ccc2Cc2ccccc2CC1,-3.353723937588949 |
| COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,-3.703119346236078 |
| CN1CCCc2ccccc2Cc2cc(O)ccc2CC1,-3.574147064150723 |
| COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,-3.4413808849165113 |
| Oc1ccc2c(c1)CCCNCCc1ccccc1C2,-3.629001619286992 |
| COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2,-3.4577305482459986 |
| CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1,-2.625312450961674 |
| COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,-2.432969290874406 |
| CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,-1.7792356316758635 |
| COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,-3.0425755124401905 |
| O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,-1.899984562549391 |
| CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,-1.4610981630930806 |
| C[C@H]1Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)NC1=O,-0.2000292665537703 |
| Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1,-1.0 |
| O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1,-2.513217600067939 |
| O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1,-2.4756711883244296 |
| Cc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,-1.3222192947339193 |
| Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,-1.041392685158225 |
| Cc1ccccc1CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1,-1.414973347970818 |
| COc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1,-1.4913616938342726 |
| COc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1,-1.2041199826559248 |
| O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1,-2.257678574869185 |
| O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1,-1.9242792860618816 |
| O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1,-2.012837224705172 |
| O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2ccccc2c1,-1.5314789170422551 |
| O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1ccc2ccccc2c1,-1.5563025007672873 |
| O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,-1.568201724066995 |
| O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,-1.7323937598229686 |
| Cc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1,-1.8388490907372552 |
| Cc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1,-1.8864907251724816 |
| Cc1ccccc1CN1CCC(NC(=O)c2cccc3ccccc23)CC1,-2.1903316981702914 |
| COc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1,-2.3483048630481607 |
| COc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1,-2.225309281725863 |
| O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc2ccccc12,-1.9822712330395684 |
| O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc2ccccc12,-2.075546961392531 |
| O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cccc2ccccc12,-1.6434526764861874 |
| O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cccc2ccccc12,-1.8195439355418688 |
| O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12,-1.6334684555795866 |
| O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccccc12,-2.0644579892269186 |
| O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1cccc2ccccc12,-2.5171958979499744 |
| C#Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,-0.9030899869919436 |
| C#Cc1cccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,-2.0 |
| C#Cc1ccc(C(=O)NCCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,-1.8388490907372552 |
| COc1ccccc1N1CCN(CCCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,-1.5440680443502757 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,-2.278753600952829 |
| C#Cc1cccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,-1.6020599913279625 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,-2.5185139398778875 |
| C#Cc1ccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,-2.0791812460476247 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,-2.230448921378274 |
| C#Cc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,-1.2041199826559248 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,-2.342422680822206 |
| C#Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,-2.041392685158225 |
| O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,-1.0791812460476249 |
| C#Cc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0.3467874862246563 |
| O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,-1.3424226808222062 |
| OC1(c2ccccc2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,-3.450249108319361 |
| COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1,-2.7535830588929064 |
| CSc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-2.503790683057181 |
| CCCCCCn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,-3.9489017609702137 |
| Cn1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21,-3.710963118995276 |
| CSc1ccc(C2(O)CCN(Cc3coc4ccccc34)CC2)cc1,-2.184691430817599 |
| OC1(c2ccc(Cl)cc2)CCN(Cc2coc3ccccc23)CC1,-2.606381365110605 |
| OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2coc3ccccc23)CC1,-2.2227164711475833 |
| OC1(c2ccc(Cl)cc2)CCN(Cc2n[nH]c3ccccc23)CC1,-3.3316297176299323 |
| OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2n[nH]c3ccccc23)CC1,-2.830588668685144 |
| Cc1[nH]c2ccccc2c1CN1CCC(O)(c2ccc(Cl)cc2)CC1,-3.4756711883244296 |
| C=CCOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.0755469613925306 |
| COC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-1.5327543789924978 |
| OCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.287801729930226 |
| CC(=O)NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.648360010980931 |
| CCOC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.546542663478131 |
| COC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.5943925503754266 |
| N#CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.3560258571931225 |
| FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-2.562292864456474 |
| CC(=O)NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-2.5415792439465807 |
| NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.3604040547299387 |
| CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.439332693830263 |
| OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)C1,-3.3873898263387296 |
| OC1(Cc2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.5943925503754266 |
| OC1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1,-3.5877109650189114 |
| OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-2.110589710299249 |
| CCCCCCOc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-3.173186268412274 |
| COc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-2.8318697742805017 |
| Oc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1,-3.1335389083702174 |
| OC1(c2ccc(F)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.784617292632875 |
| OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.574031267727719 |
| OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.041392685158225 |
| OC1(c2cccc(Cl)c2)CCN(Cc2c[nH]c3ccccc23)CC1,-3.5490032620257876 |
| OC1(c2cccc(Cl)c2Cl)CCN(Cc2c[nH]c3ccccc23)CC1,-3.1903316981702914 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC,-3.113943352306837 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)ccc1OC,-3.230448921378274 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,-2.322219294733919 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC,-2.7993405494535817 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC,-2.3979400086720375 |
| CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC,-2.322219294733919 |
| CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,-3.4913616938342726 |
| CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1O,-2.7558748556724915 |
| C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC,-3.4771212547196626 |
| COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1,-2.113943352306837 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCF,-0.255272505103306 |
| COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)cc1OC,-0.2304489213782739 |
| FCCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1,-1.9138138523837167 |
| FCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.6989700043360187 |
| COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF,-1.0791812460476249 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)c(OCCF)cc1OC,-0.1139433523068367 |
| COc1ccccc1N1CCN(Cc2cccc(OCCF)c2)CC1,-0.2041199826559248 |
| COc1ccccc1N1CCN(Cc2ccc(OCCF)cc2)CC1,-0.568201724066995 |
| Clc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,-2.3979400086720375 |
| Nc1nc(-c2ccc(F)cc2)c([C@@H]2CCN(CCCC(=O)c3ccc(F)cc3)C2)s1,0.2596373105057561 |
| O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12,-2.290034611362518 |
| O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12,-2.146128035678238 |
| O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,-2.561101383649056 |
| CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,-0.041392685158225 |
| COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,-2.2405492482825995 |
| COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,-3.4326486600131068 |
| COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,-2.965201701025912 |
| COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1,-2.24551266781415 |
| O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,-3.0170333392987803 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1,-3.110589710299249 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1,-3.330413773349191 |
| COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4ccccc4OC)CC3)cc2c1,-3.184691430817599 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1,-2.6580113966571126 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1,-2.9854264740830017 |
| COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1,-3.2833012287035497 |
| O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,-2.806179973983887 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,-2.677606952720493 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#C[Si](C)(C)C)CC1,-1.8388490907372552 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#Cc2ccccc2)CC1,-3.4913616938342726 |
| CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#C[Si](C)(C)C)CC1,-3.255272505103306 |
| CCCN(CCCCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C1CC=C(C#Cc2ccccc2)CC1,-3.041392685158225 |
| C#CC1=CCC(N(CCC)CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,-2.278753600952829 |
| CC#CC1=CCC(N(CCC)CCCCn2cc(C)nn2)CC1,-2.0 |
| CCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1,-3.785329835010767 |
| CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1,-3.146128035678238 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1,-2.8260748027008264 |
| O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,-1.6211762817750353 |
| O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-0.8195439355418687 |
| O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,-0.814913181275074 |
| O=C(CCCN1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(F)cc1,-2.716003343634799 |
| O=C(CCCN1CC2CCC(C1)N2c1ccccc1)c1ccc(F)cc1,-3.322219294733919 |
| O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,-2.2474822606770544 |
| O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,-1.2833012287035497 |
| O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-1.1471608411160057 |
| O=C(CN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,-2.89707700320942 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccc(F)cc1,-3.006466042249232 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1c[nH]c2ncccc12,-3.896140251442019 |
| O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12,-3.4781334281005174 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12,-2.443262987458695 |
| OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1,-2.911956189072687 |
| Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1,-1.2695129442179165 |
| Clc1ccc(N2CCC3CCC(C2)N3Cc2c[nH]c3ncccc23)cc1,-2.76618969331016 |
| O=C(CCCN1CC2CC1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,-2.710117365111816 |
| Clc1ccc(N2CC3CC2CN3Cc2c[nH]c3ncccc23)cc1,-1.8388490907372552 |
| OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ncccc23)C1,-3.083860800866573 |
| c1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1,-1.7481880270062005 |
| CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1,-1.0170333392987805 |
| COc1ccccc1N1CCN(Cc2cc3ccccn3n2)CC1,-0.2430380486862944 |
| Clc1ccc(N2CCN(CCCCCc3cc4ccccn4n3)CC2)cc1,-1.662757831681574 |
| Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3,-3.151676230847048 |
| COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)nc(C)n23)CC1,-1.146128035678238 |
| COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1,-2.9822712330395684 |
| COc1ccccc1N1CCN(Cc2c(C)nc3cc(C)ncn23)CC1,-1.591064607026499 |
| COc1ccc(N2CCN(Cc3c(C)nc4cc(C)ncn34)CC2)cc1,-1.0791812460476249 |
| COc1ccccc1N1CCN(Cc2cc3c(=O)[nH]c(N(C)C)nc3[nH]2)CC1,-0.380211241711606 |
| Clc1nccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c12,-0.8061799739838872 |
| Cc1cc2nc(C)c(CN3CCN(c4ccccc4)CC3)n2c(C)n1,-1.845098040014257 |
| Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1,-1.8195439355418688 |
| Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2c(C)n1,-1.3222192947339193 |
| Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2c(C)n1,-2.0791812460476247 |
| Cc1cc2nc(C)c(CN3CCN(c4ccc(F)cc4)CC3)n2c(C)n1,-2.5563025007672873 |
| COc1ccccc1N1CCN(Cc2cnc3cc(C)nc(C)n23)CC1,-1.8195439355418688 |
| Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,-0.5797835966168101 |
| Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c[nH]c2c1=O,-0.5314789170422551 |
| Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccccn4)CC3)c[nH]c2c1=O,-0.4471580313422192 |
| Cn1c(N2CCCC2)nc2c(CN3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1=O,-1.2041199826559248 |
| Cn1c(N2CCOCC2)nc2c(CN3CCN(c4ccccc4)CC3)c[nH]c2c1=O,-1.3979400086720375 |
| COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(N(C)C)ncc23)CC1,-0.8061799739838872 |
| O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,-2.200001865406602 |
| COc1ccccc1N1CCN(CCNC(=O)c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1,-1.6720978579357175 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1,-0.7558748556724915 |
| COc1ccc(-n2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,-2.380211241711606 |
| O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1,-1.4471580313422192 |
| COc1ccc(-n2cc(CCCC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1,-3.255272505103306 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7cccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)c7)nn6)cc5)cc4)nn3)c2)CC1,-3.531478917042255 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cn(Cc4ccc(-c5ccc(Cn6cc(-c7ccc(C(=O)NCCCCN8CCN(c9ccccc9OC)CC8)cc7)nn6)cc5)cc4)nn3)cc2)CC1,-2.929418925714293 |
| COc1ccc2c(c1)CCN(C)CCc1ccccc1C2,-1.6374897295125106 |
| CN1CCc2ccccc2Cc2ccc(O)cc2CC1,-1.0530784434834195 |
| COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,-3.5737995822157407 |
| COc1ccc2c(c1)CCN1Cc3ccccc3CC21,-3.409087369447835 |
| Oc1ccc2c(c1)CCN1Cc3ccccc3CC21,-3.706888394981618 |
| COc1ccc2c(c1)CCN(C)C2Cc1ccccc1C,-3.8224296237793567 |
| COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,-2.4183012913197452 |
| Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21,-2.0 |
| Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc21,-1.8000293592441343 |
| Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,-2.400002345927956 |
| Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,-2.099991233544684 |
| Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2ccccc21,-2.400002345927956 |
| Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21,-0.899984562549391 |
| Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21,-2.300008202553813 |
| Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,-3.4000006169763797 |
| Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21,-2.099991233544684 |
| Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2ccccc21,-2.800001827817969 |
| Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21,-2.800001827817969 |
| Cn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21,-3.4000006169763797 |
| Cn1c(CN2CCN(c3ccc(Cl)cc3F)CC2)nc2ccccc21,-2.400002345927956 |
| Cn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,-2.60000308662774 |
| Cn1c(CN2CCN(c3nc4ccccc4s3)CC2)nc2ccccc21,-2.9000009651534695 |
| Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21,-3.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1,-3.636588183729842 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,-3.741742341833693 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21,-3.776119799052988 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21,-3.798028793404073 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21,-4.0 |
| COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,-3.683947130751512 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21,-3.6006462356623943 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21,-3.640481436970422 |
| CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,-3.875408560077064 |
| CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C,-3.769820257763592 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21,-3.9213742954184743 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21,-4.0 |
| COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21,-4.0 |
| CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21,-3.7041505168397992 |
| CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1,-2.3521825181113627 |
| CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1,-1.5921767573958667 |
| O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,-3.894648303793517 |
| COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1,-2.845098040014257 |
| COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12,-2.9242792860618816 |
| OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,-2.81424759573192 |
| COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1,-2.1702617153949575 |
| CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,-1.041392685158225 |
| O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,0.1426675035687315 |
| Cc1ccc(C)c(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,-1.3010299956639813 |
| O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-1.591064607026499 |
| O=C(CCCN1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-1.4771212547196624 |
| Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,-1.7853298350107671 |
| Cc1ccc(C)c(C(=O)CCCN2CCC(O)(c3cc(C)ccc3C)CC2)c1,-1.4771212547196624 |
| O=C(CCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1ccc(F)cc1,-2.0791812460476247 |
| Cc1ccc(C)c(N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,-1.230448921378274 |
| O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-2.0791812460476247 |
| Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1,-1.0 |
| O=C(CCCN1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-1.2787536009528289 |
| Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1,-1.6532125137753435 |
| O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1,-2.9444826721501687 |
| Cc1ccc(C)c(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,-2.4771212547196626 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cc(C)ccc2C)CC1,-1.3617278360175928 |
| O=C(NCCCCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,-2.230448921378274 |
| Cc1ccc(C)c(C(=O)NCCCCN2CCN(c3cc(C)ccc3C)CC2)c1,-2.342422680822206 |
| Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1,-3.3010299956639813 |
| Cc1ccc(CNCC2(F)CCN(C(=O)c3csc4ccccc34)CC2)nc1,-2.6627578316815743 |
| Cc1ccc(CNCC2(F)CCN(C(=O)c3coc4ccccc34)CC2)nc1,-2.770852011642144 |
| Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1,-3.3010299956639813 |
| COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(F)cc2)CC1,-1.6334684555795866 |
| N#[11C]c1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,-2.230448921378274 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,-2.905256048748451 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,-2.9523080096621253 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.4313637641589874 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2nccc2C1,-1.7708520116421442 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(Cl)c2C1,-2.278753600952829 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1,-3.7993405494535817 |
| CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1Cc2cccn3ncc(c23)C1,-2.361727836017593 |
| COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1,-0.2787536009528289 |
| COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1,-0.1139433523068367 |
| COc1ccc2c(c1)CCCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,-0.4771212547196624 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1,-0.4471580313422192 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccccc4)ccc3C2=O)CC1,-0.5314789170422551 |
| COc1ccccc1N1CCN(CCCCN2CCc3c(cccc3-c3ccccc3)C2=O)CC1,-0.9912260756924948 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccco4)ccc3C2=O)CC1,-0.5185139398778874 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4cccs4)ccc3C2=O)CC1,-0.3617278360175928 |
| COc1ccccc1N1CCN(CCCCN2CCCc3cc(-c4cccs4)ccc3C2=O)CC1,-0.4623979978989561 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(-c4ccncc4)ccc3C2=O)CC1,-0.5314789170422551 |
| COc1ccccc1N1CCN(CCCCN2CCc3cc(C#N)ccc3C2=O)CC1,-0.785329835010767 |
| C#Cc1ccc2c(c1)CCN(CCCCN1CCN(c3ccccc3OC)CC1)C2=O,-0.6127838567197355 |
| O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I,-2.949390006644913 |
| COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1,-2.5171958979499744 |
| COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,-1.2041199826559248 |
| O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,-3.4899584794248346 |
| O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,-3.727541257028556 |
| COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1,-3.173186268412274 |
| O=C(NCCC(F)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,-3.526339277389844 |
| COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,-3.502427119984433 |
| O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,-1.968482948553935 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCCCCCCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-0.7323937598229685 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.1760912590556811 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.2787536009528289 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCCc1cn(CCCCCCCCCCn2cc(CCCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.041392685158225 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCc1cn(CCOCCOCCn2cc(COc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-0.8325089127062363 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.0791812460476249 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCOCCOCCOCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.2787536009528289 |
| CCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-0.5185139398778874 |
| CCCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-0.8573324964312685 |
| CCCCn1cc(CCCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-1.1139433523068367 |
| CCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-0.9242792860618816 |
| CCOCCn1cc(CCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-0.8061799739838872 |
| CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.146128035678238 |
| COc1cc(CN2CCN(C)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-1.0791812460476249 |
| COc1cc(CN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(CN4CCN(C5CCCCC5)CC4)cc3OC)nn2)nn1,-1.2787536009528289 |
| COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,-3.329194415088451 |
| CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,-3.793301353613115 |
| CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,-2.6586790285824486 |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,-3.5146805441249818 |
| OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,-3.3140779917792127 |
| CCN(CC)C(=S)SSC(=S)N(CC)CC,-3.04336227802113 |
| Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,-3.844166410450201 |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,-2.9084850188786495 |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,-3.728678366850914 |
| CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,-2.711807229041191 |
| CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,-3.59250984790068 |
| COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1,-1.8512583487190752 |
| COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1,-1.9242792860618816 |
| COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1,-1.9637878273455551 |
| CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(CN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,-1.3424226808222062 |
| CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN5CCN(c6ccccc6OC)CC5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,-1.6020599913279625 |
| CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)cc2OC)nn1,-1.9242792860618816 |
| CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)C3Cc4ccccc4C3)cc2OC)nn1,-1.6232492903979006 |
| COc1cc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)ccc1OCCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1,-2.8195439355418688 |
| CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(C(=O)NCCCCN(CCC)C5Cc6ccccc6C5)cc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1,-1.5314789170422551 |
| Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1,-0.041392685158225 |
| COc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,-0.6232492903979004 |
| Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F,-0.8633228601204559 |
| Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cn1,-1.1760912590556811 |
| CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1,-2.146128035678238 |
| CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1,-2.342422680822206 |
| COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,-1.57978359661681 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1,-1.6812412373755872 |
| CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-2.380211241711606 |
| CCOCCOCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1,-2.3979400086720375 |
| CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,-1.845098040014257 |
| CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,-1.806179973983887 |
| CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1,-1.6532125137753435 |
| CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1,-2.204119982655925 |
| COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,-1.7075701760979365 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,-1.8864907251724816 |
| COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,-2.146128035678238 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1,-2.0 |
| CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1,-3.380211241711606 |
| COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,-3.7323937598229686 |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1,-2.230448921378274 |
| C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C,-1.8068580295188177 |
| Clc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1cccnc1O2,-2.322219294733919 |
| Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2,-1.6232492903979006 |
| Clc1ccc2c(c1)N=C(N1CCN(C3CCCCC3)CC1)c1cccnc1O2,-2.9020028913507296 |
| Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,-1.5314789170422551 |
| O=C(c1cnc2ccccc2n1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,-1.5440680443502757 |
| O=C(c1cccc2ccccc12)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,-2.401400540781544 |
| O=C(c1ccc2ccccc2c1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1,-2.4638929889859074 |
| O=C(c1cnc2ccccc2n1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,-1.7543483357110188 |
| O=C(c1cccc2ccccc12)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,-2.7403626894942437 |
| O=C(c1ccc2ccccc2c1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1,-2.90687353472207 |
| COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1,-1.1760912590556811 |
| COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1,-1.8388490907372552 |
| COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1,-2.2648178230095364 |
| O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-1.14921911265538 |
| COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1,0.3979400086720376 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,-0.7781512503836436 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,0.1023729087095585 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1,-0.5797835966168101 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,-0.6627578316815741 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,-0.2787536009528289 |
| COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,-0.1760912590556812 |
| COc1ccccc1N1CCN(Cc2cc(C#N)c3cccccc2-3)CC1,-0.380211241711606 |
| COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,0.1487416512809247 |
| CCCC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,-1.2787536009528289 |
| COc1ccccc1N1CCN(Cc2cc(C#Cc3ccccc3)c3cccccc2-3)CC1,-1.2041199826559248 |
| C#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2,-0.9777236052888476 |
| c1ccc(C[n+]2cc[n+](-c3cccc4[nH]cnc34)cc2)cc1,-1.6720978579357175 |
| c1ccc(C[n+]2cc[n+](-c3cccc4[nH]ccc34)cc2)cc1,-1.167317334748176 |
| FC(F)(F)c1nc2c(-[n+]3cc[n+](Cc4ccccc4)cc3)cccc2[nH]1,-0.4623979978989561 |
| Brc1ccc(-[n+]2cc[n+](Cc3ccccc3)cc2)c2cc[nH]c12,-0.414973347970818 |
| Clc1ccc2[nH]ccc2c1-[n+]1cc[n+](Cc2ccccc2)cc1,-0.2304489213782739 |
| c1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1,-1.6532125137753435 |
| c1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1,-0.5440680443502757 |
| Oc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1,-1.5314789170422551 |
| Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1,-2.2430380486862944 |
| CNc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,-2.8488047010518036 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc(OC)c2OC)CC1,-2.6444385894678386 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)nc2)CC1,-2.9190780923760737 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)nc2)CC1,-2.8068580295188172 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1,-2.6053050461411096 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)s2)CC1,-2.2479732663618064 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,-2.8175653695597807 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCO)cc2)CC1,-2.8739015978644615 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccccc3)s2)CC1,-2.534026106056135 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3s2)CC1,-2.4727564493172123 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1,-2.2068258760318495 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1,-2.27415784926368 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(F)cc2)CC1,-2.2013971243204513 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1,-2.5440680443502757 |
| C=Cc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1,-2.862131379313037 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1,-2.717670503002262 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,-2.632457292184724 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(SC)cc2)CC1,-2.5705429398818973 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1,-2.783903579272735 |
| COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,-2.271841606536499 |
| Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1,-3.0718820073061255 |
| Clc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)cn2)cc1,-2.903089986991944 |
| Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1,-2.5185139398778875 |
| Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1,-3.1760912590556813 |
| Clc1ccc(-n2cc(COCCN3CCN(c4ccccc4)CC3)cn2)cc1,-2.0 |
| COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,-1.3222192947339193 |
| Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,-1.8512583487190752 |
| Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl,-0.7923916894982539 |
| CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1,1.5228787452803376 |
| Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1Cl,-1.041392685158225 |
| CCOc1ccccc1N1CCN(Cc2ccccc2)CC1,-0.4771212547196624 |
| Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl,-1.3521825181113625 |
| CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1,-0.6532125137753437 |
| Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl,-1.4913616938342726 |
| CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1,-0.3010299956639812 |
| Clc1cccc(N2CCN(Cc3cccnc3)CC2)c1Cl,-0.6434526764861874 |
| CCOc1ccccc1N1CCN(Cc2cccnc2)CC1,0.1549019599857432 |
| Oc1ccc(N2CCN(Cc3cccs3)CC2)cc1,-2.1818435879447726 |
| Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl,-1.8920946026904804 |
| Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1,-2.330413773349191 |
| Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1,-2.0211892990699383 |
| Oc1ccccc1N1CCN(Cc2cccs2)CC1,-0.8692317197309762 |
| CCOc1ccccc1N1CCN(Cc2cccs2)CC1,-0.5910646070264992 |
| Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl,-1.69810054562339 |
| Clc1ccccc1N1CCN(Cc2cccs2)CC1,-1.7160033436347992 |
| Fc1ccccc1N1CCN(Cc2cccs2)CC1,-1.7558748556724917 |
| c1ccc(N2CCN(Cc3cccs3)CC2)cc1,-1.8129133566428557 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4cnco4)cc3)nn2)CC1,-2.6298171960185157 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3cccnc3)nn2)CC1,-3.2783419690609072 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(N)cc3)nn2)CC1,-2.726319612110775 |
| COc1ccc(-c2cn(CCCCN3CCN(c4ccccc4OC)CC3)nn2)cc1,-2.596377143997599 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(Br)cc3)nn2)CC1,-2.5873741720730656 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4F)cc3)nn2)CC1,-1.505149978319906 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCOCCF)cc3)nn2)CC1,-1.2041199826559248 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)CC1,-2.0 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCF)cc3)nn2)CC1,-0.7075701760979364 |
| COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCF)cc3)nn2)CC1,-1.146128035678238 |
| COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)nn2)CC1,-2.531478917042255 |
| COc1ccccc1N1CCN(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)CC1,-2.6989700043360187 |
| COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1,-2.832508912706236 |
| COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1,-2.1760912590556813 |
| COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1,-1.3617278360175928 |
| COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1,-1.3010299956639813 |
| CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,-2.300008202553813 |
| O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1,-1.7781512503836436 |
| O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1,-2.505149978319906 |
| CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,-2.041392685158225 |
| Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl,-2.113943352306837 |
| Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl,-1.2041199826559248 |
| Clc1cccc(N2CCN(CCCCOc3ccc4ccnn4c3)CC2)c1Cl,-0.6434526764861874 |
| Clc1cccc(N2CCN(CCCCOc3cccc4ccnn34)CC2)c1Cl,-1.2041199826559248 |
| Clc1cccc(N2CCN(CCCCOc3cc4ccccn4n3)CC2)c1Cl,-1.5185139398778875 |
| CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,-1.6720978579357175 |
| OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,-1.5440680443502757 |
| O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,-1.7558748556724917 |
| O=Cc1cnn2cccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,-1.6127838567197357 |
| O=Cc1cnn2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,-1.255272505103306 |
| O=Cc1cnn2c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc12,-1.8920946026904804 |
| O=Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nn2ccccc12,-1.462397997898956 |
| O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,-1.9493900066449128 |
| O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,-0.7520484478194386 |
| O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,-1.380211241711606 |
| N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,-0.7558748556724915 |
| N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,-0.9684829485539352 |
| O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,-1.146128035678238 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3cccc4cnccc34)nn2)CC1,-2.942008053022313 |
| COc1ccccc1N1CCN(CCCCCc2cn(-c3cccc4cnccc34)nn2)CC1,-2.2695129442179165 |
| COc1ccccc1N1CCN(CCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,-1.9542425094393248 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,-2.59659709562646 |
| COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(-c4ccsc4)cc3)nn2)CC1,-2.2121876044039577 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(N(C)C)cc3)nn2)CC1,-2.8796692056320534 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,-2.3010299956639813 |
| COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1,-2.3560258571931225 |
| O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.380211241711606 |
| O=C(CCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.5185139398778875 |
| O=C(CCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.6127838567197357 |
| O=C(CCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-2.5563025007672873 |
| O=C(CCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-2.4771212547196626 |
| O=C(CCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-2.716003343634799 |
| O=C(CCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-2.690196080028514 |
| Cc1ccc(C(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,-2.113943352306837 |
| CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-0.9684829485539352 |
| CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-0.3979400086720376 |
| CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-0.7634279935629373 |
| O=C(CCN1CCN(CCC(=O)OC2(c3ccc(Cl)cc3)CCN(CCCC(=O)c3ccc(F)cc3)CC2)CC1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.5185139398778875 |
| CN(CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)CCN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.462397997898956 |
| CN(C)CCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-0.9395192526186184 |
| O=C(CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.2787536009528289 |
| O=C(CCc1cn(CCCCCCCCCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,-1.9493900066449128 |
| O=C(CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-4.2552725051033065 |
| Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1,-1.4471580313422192 |
| COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,-1.662757831681574 |
| Cc1ccccc1CN1CCOC(CCc2ccccc2)C1,-3.0086001717619175 |
| FC(F)(F)Oc1cccc(CN2CCOC(CCc3ccccc3)C2)c1,-2.041392685158225 |
| Fc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1,-2.505149978319906 |
| c1ccc(CCC2CN(Cc3ccccc3)CCO2)cc1,-2.6127838567197355 |
| Fc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1,-3.0293837776852097 |
| NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,-0.8512583487190752 |
| CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1,-2.903089986991944 |
| CCCN(CCC)CCc1cccc2c1CC(=O)N2,-0.8920946026904804 |
| COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1,-1.9731278535996983 |
| COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)c(F)c2)CC1,-1.5563025007672873 |
| COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2cc(F)c(F)c(F)c2)CC1,-1.6720978579357175 |
| CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,-1.2041199826559248 |
| CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,-1.5314789170422551 |
| CCCN(CCCCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,-1.4913616938342726 |
| CCCN(CCCCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,-1.6020599913279625 |
| CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1,-0.146128035678238 |
| CCCN(CCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1,0.00436480540245 |
| CCCN(CCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1,-0.3010299956639812 |
| CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1,-1.0 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4ccccc4c3)nn2)CC1,-2.4756711883244296 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,-2.5171958979499744 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4[nH]ccc4c3)nn2)CC1,-2.5477747053878224 |
| COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1,-2.686636269262294 |
| Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl,-3.648360010980931 |
| Clc1cccc(N2CCN(CCCCc3cn(-c4ccc5[nH]ccc5c4)nn3)CC2)c1Cl,-2.7075701760979363 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1,-2.3654879848909 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1,-2.7693773260761385 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1,-2.346352974450639 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ncccc4c3)nn2)CC1,-2.429752280002408 |
| COc1ccccc1N1CCN(CCCCn2cc(-c3ccc(-c4ccccc4)cc3)nn2)CC1,-2.6283889300503116 |
| O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,-3.5646660642520893 |
| COc1ccc2[nH]c(C(=O)NCCC(O)CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,-3.3096301674258988 |
| O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,-3.5646660642520893 |
| Cc1ccc(Cl)c(N2CCN(CCCCNC(=O)c3ccc4oc(=O)[nH]c4c3)CC2)c1,-3.374748346010104 |
| Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C,-4.551449997972875 |
| COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1,-1.568201724066995 |
| O=Cc1cnn2ccc(-n3cc(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,-2.113943352306837 |
| O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,-3.146128035678238 |
| O=Cc1cnn2ccc(-n3cc(CCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12,-3.4771212547196626 |
| COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1,-1.9912260756924949 |
| Clc1cccc(N2CCN(CCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,-2.255272505103306 |
| Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,-1.6232492903979006 |
| Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,-1.8808135922807911 |
| CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1,0.1426675035687315 |
| Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1,-1.3010299956639813 |
| COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,-2.930949031167523 |
| CN1CCc2ccccc2Cc2sccc2CC1,-2.27415784926368 |
| CN1CCc2ccccc2Cc2sc3ccccc3c2CC1,-1.8573324964312683 |
| CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,-0.9542425094393248 |
| Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1,-4.199999947261554 |
| Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,-1.6232492903979006 |
| Cc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C,-1.089905111439398 |
| COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,-1.6434526764861874 |
| c1ccc(OC[C@@H]2CN(Cc3ccc4ccccc4c3)CCO2)cc1,-1.250420002308894 |
| c1ccc(OC[C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)cc1,-2.4913616938342726 |
| Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,-2.230448921378274 |
| Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl,-1.2810333672477277 |
| Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F,-2.1760912590556813 |
| Clc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,-1.4313637641589874 |
| Fc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1C(F)(F)F,-1.209515014542631 |
| Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F,-1.9493900066449128 |
| COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1F,-1.155336037465062 |
| COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1F,-1.0644579892269186 |
| COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl,-1.0170333392987805 |
| COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl,-1.0644579892269186 |
| FC(F)(F)Oc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,-1.7075701760979365 |
| COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1OC,-1.6334684555795866 |
| CSc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1,-1.2068258760318498 |
| c1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1,-2.204119982655925 |
| c1ccc(OC[C@@H]2CN(Cc3ncn4ccccc34)CCO2)cc1,-1.5440680443502757 |
| c1ccc(OC[C@@H]2CN(Cc3n[nH]c4ccccc34)CCO2)cc1,-1.2576785748691846 |
| c1ccc(OC[C@@H]2CN(Cc3cccc4cc[nH]c34)CCO2)cc1,-1.568201724066995 |
| FC1(F)Oc2ccc(CN3CCO[C@H](COc4ccccc4)C3)cc2O1,-1.8573324964312683 |
| Cn1ncc2cc(CN3CCO[C@H](COc4ccccc4)C3)ccc21,-1.6720978579357175 |
| c1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1,-1.2013971243204515 |
| Clc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,-0.3424226808222063 |
| COc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1,-2.113943352306837 |
| Clc1ccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c2c1,-1.568201724066995 |
| COc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,-0.7323937598229685 |
| Fc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1,-0.7160033436347992 |
| Fc1cccc2[nH]cc(CN3CCO[C@H](COc4ccccc4)C3)c12,-3.0253058652647704 |
| Clc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1,-1.6720978579357175 |
| COc1ccc(CN2CCO[C@H](COc3cccnc3)C2)cc1,-1.7708520116421442 |
| Clc1ccc(CN2CCO[C@H](COc3ccccn3)C2)cc1,-2.863322860120456 |
| Fc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1,-1.0170333392987805 |
| COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1,-1.1172712956557642 |
| COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1Cl,-1.0334237554869496 |
| COc1cc(CN2CCO[C@H](COc3cccc(F)c3)C2)ccc1Cl,-1.0043213737826426 |
| COc1ccc(CN2CCO[C@H](COc3cccc(F)c3)C2)cc1,-1.414973347970818 |
| COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1,-1.6232492903979006 |
| COc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1,-2.041392685158225 |
| COc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1,-1.5563025007672873 |
| COc1cc(CN2CCO[C@H](COc3cccc(C#N)c3)C2)ccc1Cl,-1.4471580313422192 |
| COc1ccc(CN2CCO[C@H](COc3cccc(C#N)c3)C2)cc1Cl,-1.5563025007672873 |
| Fc1ccc2c(CN3CCO[C@H](COc4cccc(F)n4)C3)c[nH]c2c1,-1.3222192947339193 |
| Fc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1,-2.113943352306837 |
| COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl,-1.863322860120456 |
| Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1,-0.5185139398778874 |
| Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1,-1.462397997898956 |
| Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1,-0.9731278535996988 |
| Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C,-0.8692317197309762 |
| COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1,-2.9542425094393248 |
| COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1,-1.57978359661681 |
| COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1,-1.740362689494244 |
| COc1ccccc1OCCNCCc1ccc(O)c(O)c1,-0.6532125137753437 |
| CC(C)NCC(O)c1ccc(O)c(O)c1,-3.462397997898956 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2,-2.120294181799881 |
| O=C(CCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1nc2ccccc2s1,-2.209756222258858 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,-2.070942474030112 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,-0.1971426649725627 |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1,-2.828363392580802 |
| O=C(CCCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1nc2ccccc2s1,-3.23150017347227 |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,-2.922403639170158 |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,-1.207095540419218 |
| Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCCc3nc4ccccc4s3)CC2)cc1,-1.8312617203028216 |
| O=C(CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1,-3.087651890746014 |
| OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1,-2.1480625354554377 |
| OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3o2)CC1,-2.359835482339888 |
| O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1,1.1804560644581312 |
| Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1,-3.7700002541882225 |
| CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,-2.765668554759014 |
| Fc1ccc(C(SCCNCCCc2ccccc2)c2ccc(F)cc2)cc1,-1.4487063199050798 |
| CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.7993405494535817 |
| CC(O)CN1CCN(CC[S+](O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.582063362911709 |
| OC(Cc1ccccc1)CN1CCN(CC[S+](O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.2430380486862944 |
| CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O,-1.847572659142112 |
| O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)nc2N1,-2.250420002308894 |
| COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,-2.686636269262294 |
| COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,-3.2962262872611605 |
| COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,-1.8887409606828929 |
| O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccn2nccc2c1,-1.146128035678238 |
| COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3nccc3c2)CC1,-1.146128035678238 |
| O=Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,-1.4771212547196624 |
| COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1,-1.5314789170422551 |
| O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccn2ncc(/C=N\O)c2c1,-1.4913616938342726 |
| COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(/C=N\O)c3c2)CC1,-0.9084850188786496 |
| N#Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,-1.505149978319906 |
| COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1,-1.230448921378274 |
| COc1ccccc1N1CCN(CCCCOc2ccc3ccnn3c2)CC1,0.1611509092627447 |
| COc1ccccc1N1CCN(CCCCOc2ccn3nccc3c2)CC1,-1.1139433523068367 |
| CCOC(=O)c1cc2cc(OCCCCN3CCN(c4ccccc4OC)CC3)ccn2n1,-1.041392685158225 |
| COc1ccccc1N1CCN(CCCCOc2ccn3nc(CO)cc3c2)CC1,-1.3222192947339193 |
| COc1ccccc1N1CCN(CCCCOc2ccn3nc(C=O)cc3c2)CC1,-1.2787536009528289 |
| COc1ccccc1N1CCN(CCCCOc2ccn3nc(/C=N/O)cc3c2)CC1,-0.8920946026904804 |
| COc1ccccc1N1CCN(CCCCOc2ccn3nc(C#N)cc3c2)CC1,-0.7160033436347992 |
| COc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1,-0.6334684555795865 |
| COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1,-0.8512583487190752 |
| CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1,-0.8976270912904414 |
| CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1,-0.3424226808222063 |
| COc1ccccc1N1CCN(CCCCOc2ccc3c(/C=N/O)cnn3c2)CC1,-0.6720978579357175 |
| COc1ccccc1N1CCN(CCCCOc2ccn3ncc(/C=N/O)c3c2)CC1,-0.0472748673841794 |
| CCCN(CCCCOc1ccc2c(/C=N/O)cnn2c1)[C@H]1CCc2c(O)cccc2C1,-0.8129133566428556 |
| CCCN(CCCCOc1ccn2ncc(/C=N\O)c2c1)[C@H]1CCc2c(O)cccc2C1,-0.3010299956639812 |
| COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1,-0.1139433523068367 |
| O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1,-1.8195439355418688 |
| O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5oc(=O)ccc45)CC3)cc2N1,-2.9395192526186187 |
| O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1,-0.919078092376074 |
| O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCCO5)CC3)cc2N1,-2.4771212547196626 |
| O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5ncccc45)CC3)cc2N1,-1.9731278535996983 |
| O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1,-1.8750612633917 |
| O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5oc(=O)ccc45)CC3)cc2N1,-3.6989700043360183 |
| O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1,-1.7781512503836436 |
| O=c1ccc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2[nH]1,-1.4913616938342726 |
| O=c1ccc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2o1,-2.4313637641589874 |
| O=C1COc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2N1,-0.6812412373755872 |
| Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2c1OCCO2,-2.204119982655925 |
| Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12,-1.740362689494244 |
| O=c1ccc2c(N3CCCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2[nH]1,-2.278753600952829 |
| CCCCn1cc(CCCOc2ccc(C(=O)NCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2OC)nn1,-3.505149978319906 |
| CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2OC)nn1,-3.322219294733919 |
| Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,-0.4771212547196624 |
| Cc1ccc(N2CCN(CCC3C(=O)Nc4ccccc43)CC2)cc1C,-0.9444826721501688 |
| Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl,-0.7781512503836436 |
| CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1,0.4807628385030166 |
| c1ccc(CCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1,-0.7923916894982539 |
| c1ccc(OCC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1,-0.7481880270062005 |
| COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1,-0.4485517392015781 |
| CCOc1ccccc1CC1CN(Cc2ccc(Cl)cc2)CCCO1,-0.6901960800285137 |
| COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,-0.9200189160289148 |
| Oc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,-1.5600262489128924 |
| COCOc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1,-1.7100326990657535 |
| O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc12,-1.6127838567197357 |
| O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc12,-1.0 |
| O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCCO5)CC3)cc12,-2.113943352306837 |
| O=C1COc2c(N3CCN(CCCCOc4ccn5ncc(/C=N/O)c5c4)CC3)ccc(O)c2N1,-0.4913616938342727 |
| O=c1ccc2c(N3CCNCC3)ccc(O)c2[nH]1,-3.785329835010767 |
| O=C1COc2c(N3CCNCC3)ccc(O)c2N1,-2.643452676486187 |
| CN1CCN(c2ccc(O)c3[nH]c(=O)ccc23)CC1,-2.7481880270062 |
| CN1CCN(c2ccc(O)c3c2OCC(=O)N3)CC1,-1.7708520116421442 |
| CN1CCCN(c2ccc(O)c3c2OCC(=O)N3)CC1,-3.690196080028514 |
| CN1CCN(c2ccc(O)c3c2OCCO3)CC1,-3.4149733479708178 |
| CCCN1CCN(c2ccc(O)c3[nH]c(=O)ccc23)CC1,-3.8808135922807914 |
| CCCN1CCN(c2ccc(O)c3c2OCC(=O)N3)CC1,-2.9444826721501687 |
| CCCN1CCCN(c2ccc(O)c3c2OCC(=O)N3)CC1,-2.322219294733919 |
| CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,0.0100165416986009 |
| CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,-2.4100007125434617 |
| CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,-0.7199938263676039 |
| CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1,-0.1398790864012364 |
| O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1,-1.869994000121742 |
| O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1,-0.6399842480415886 |
| O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1,-2.0 |
| O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1,-0.290034611362518 |
| O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1,-0.1000257301078625 |
| O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1,-0.3300077008727592 |
| CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1,-2.500003068051693 |
| O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1,-0.4599952560473914 |
| O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1,-1.299942900022767 |
| O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1,-1.4599952560473914 |
| COc1cccc(CCC2=NCCN2CCc2ccccc2)c1,-1.9800033715837464 |
| O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccn2n1,-2.204119982655925 |
| CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccn4n3)CC2)cc(C(F)(F)F)n1,-3.6720978579357175 |
| c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1,-1.7481880270062005 |
| COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1,-2.9561684304753633 |
| COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1,-0.5797835966168101 |
| CCCCN1CCC(c2cccc(O)c2)C1,-3.0696680969115957 |
| CCCCCN1CCC(c2cccc(O)c2)C1,-2.214843848047698 |
| CCCCCCN1CCC(c2cccc(O)c2)C1,-2.0569048513364727 |
| CCCCCCCN1CCC(c2cccc(O)c2)C1,-1.041392685158225 |
| CCCCCCCCN1CCC(c2cccc(O)c2)C1,-0.7075701760979364 |
| CCCCCCCCCN1CCC(c2cccc(O)c2)C1,-0.7520484478194386 |
| CCCCCCCCCCN1CCC(c2cccc(O)c2)C1,-1.146128035678238 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.215637563435062 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1,-2.12057393120585 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-1.3979400086720375 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-4.0 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.5854607295085006 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1,-1.7634279935629371 |
| COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1,-2.661812685537261 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.0 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(-c3ccccc3)cc1)CC2,-2.8573324964312685 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc3ccccc3c1)CC2,-2.230448921378274 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccnc3ccccc13)CC2,-2.6127838567197355 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccncc1)CC2,-3.146128035678238 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(O)cc1)CC2,-2.8195439355418688 |
| COc1ccc(C(=O)NCCCCN2CCc3cc(OC)c(O)cc3C2)cc1,-2.7481880270062 |
| COc1cccc(C(=O)NCCCCN2CCc3cc(OC)c(O)cc3C2)c1,-2.1760912590556813 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(F)cc1)CC2,-1.977723605288848 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(Cl)cc1)CC2,-2.146128035678238 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(Br)cc1)CC2,-2.5440680443502757 |
| COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc(I)cc1)CC2,-3.1760912590556813 |
| CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N,-3.2999994961169836 |
| COc1ccccc1N1CCN(CCNC(=O)/N=N/c2ccc(F)cc2)CC1,-1.5563025007672873 |
| COc1ccccc1N1CCN(CCCNC(=O)/N=N/c2ccc(F)cc2)CC1,-1.3010299956639813 |
| COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1,-0.9542425094393248 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1,0.2596373105057561 |
| COc1ccccc1N1CCN(CCCCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1,-0.6434526764861874 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1,0.6020599913279624 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1,0.2596373105057561 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(F)cc2)CC1,-0.5563025007672873 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2cccc(F)c2)c2ccc(F)cc2)CC1,-0.5797835966168101 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1,-0.6627578316815741 |
| COc1cccc(CN(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c2ccc(F)cc2)c1,-0.7708520116421442 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(C#N)cc2)c2ccc(F)cc2)CC1,-1.1760912590556811 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2)CC1,-0.7708520116421442 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2)CC1,-0.4623979978989561 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(Cl)cc2)CC1,-0.414973347970818 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2Cl)CC1,-1.1760912590556811 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2Cl)CC1,-1.0791812460476249 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Br)cc2)CC1,-0.5314789170422551 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(Br)cc2)CC1,-0.5185139398778874 |
| COc1ccc(N(Cc2ccccc2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-0.2304489213782739 |
| COc1ccc(N(Cc2ccccc2F)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-0.414973347970818 |
| COc1ccc(N(Cc2cccc(F)c2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-0.7923916894982539 |
| COc1ccc(N(Cc2ccc(F)cc2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-0.4623979978989561 |
| COc1ccc(N(Cc2cccc(OC)c2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-1.5185139398778875 |
| COc1ccc(N(Cc2ccc(C#N)cc2)NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1,-1.2041199826559248 |
| C=CCN(NC(=O)NCCCN1CCN(c2ccccc2OC)CC1)c1ccc(OC)cc1,-1.7853298350107671 |
| C=C(C)CN(NC(=O)NCCCN1CCN(c2ccccc2OC)CC1)c1ccc(OC)cc1,-1.806179973983887 |
| O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)NN(Cc1ccccc1)c1ccccc1,-0.9867717342662448 |
| O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)NN(Cc1ccccc1)c1ccccc1,-1.146128035678238 |
| O=C(NCCCN1CCN(c2ncccn2)CC1)NN(Cc1ccccc1)c1ccccc1,-1.255272505103306 |
| O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)NN(Cc1ccc(F)cc1)c1ccccc1,-1.230448921378274 |
| O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)NN(Cc1ccc(F)cc1)c1ccccc1,-1.662757831681574 |
| O=C(NCCCN1CCN(c2ncccn2)CC1)NN(Cc1ccc(F)cc1)c1ccccc1,-1.2787536009528289 |
| O=C(NCCN1CCN(c2ccc(Br)cc2)CC1)NN(Cc1ccccc1)c1ccccc1,-1.4471580313422192 |
| O=C(NCCCN1CCN(c2ccc(I)cc2)CC1)NN(Cc1ccccc1)c1ccccc1,-1.3222192947339193 |
| O=C(NCCN1CCN(c2ccc(I)cc2)CC1)NN(Cc1ccccc1)c1ccccc1,-1.6434526764861874 |
| N#Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccsc4)cc3)CC2)c1,-2.906335041805091 |
| CCCN1CC(c2ccc(N)nc2)OC[C@@H]1C,-2.4653828514484184 |
| C[C@H]1COC(c2ccc(N)nc2)CN1CCCCOc1ccc2c(c1)NC(=O)CC2,-3.507855871695831 |
| COc1cc2c(cc1OC)C(=O)N(CCCCN1CCN(c3ccccn3)CC1)CCC2,-0.8129133566428556 |
| Cc1cccc2cc(CNCc3ccccc3)c(Cl)nc12,-2.7403626894942437 |
| Cc1ccc(C(=O)C2CCN(CC(=O)NC3CCCC3)CC2)cc1,-2.6232492903979003 |
| COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1,-2.4399954739538083 |
| COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1,-3.1399986582747945 |
| COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1,-3.989999901804907 |
| Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12,-3.653212513775343 |
| Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F,-3.838849090737255 |
| FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12,-3.838849090737255 |
| FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12,-3.690196080028514 |
| Cc1ccc(C2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1,-2.04296907339318 |
| Cc1cccc(NC(=O)CN2CCC(c3ccc(Cl)cc3)CC2)c1,-2.061452479087193 |
| CCc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1,-1.91539983521227 |
| CCc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cn3)CC2)c1,-2.236033147117636 |
| O=C(CN1CCN(c2ccccn2)CC1)Nc1cccnc1,-3.8066547239918607 |
| O=C(CN1CCN(c2ccc(Cl)cn2)CC1)Nc1cccnc1,-3.6989700043360183 |
| O=C(CN1CCN(c2ccccn2)CC1)Nc1cncnc1,-4.594282028811806 |
| Cc1cccc(NC(=O)CCN2CCC(c3ccccn3)CC2)c1,-1.88309335857569 |
| COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1,-2.857935264719429 |
| CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,-1.6532125137753435 |
| O=C1NC2CCCCN2C12CCN(CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2,1.5228787452803376 |
| CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O,-3.1082266563749283 |
| CCc1cc(Cl)c(OC)c(N2CCNCC2)c1,-3.361727836017593 |
| CCc1cccc(N2CCNCC2)c1Cl,-2.499687082618404 |
| CCc1cc(Cl)c(OC)c(N2CCN(C)CC2)c1,-2.6020599913279625 |
| CCc1cccc(N2CCN(C)CC2)c1Cl,-1.9537596917332287 |
| CCCCN1CCN(c2cc(CC)cc(Cl)c2OC)CC1,-2.507855871695831 |
| CCCCN1CCN(c2cccc(CC)c2Cl)CC1,-1.813580988568192 |
| CCc1cc(Cl)c(OC)c(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1,-3.0211892990699383 |
| CCc1cc(Cl)c(OC)c(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1,-4.143014800254095 |
| CCc1cc(Cl)c(OC)c(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,-2.8536982117761744 |
| CCc1cc(Cl)c(OC)c(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1,-3.7234556720351857 |
| CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl,-2.523746466811565 |
| CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl,-3.741939077729199 |
| CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl,-2.5514499979728753 |
| CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl,-3.376576957056512 |
| CCc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl,-2.913283901760418 |
| CCc1cccc(N2CCN(CCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl,-2.155336037465062 |
| CCc1c[nH]c(C(=O)NCCCCN2CCN(c3cccc(CC)c3Cl)CC2)n1,-2.6989700043360187 |
| CCc1cccc(N2CCN(CCCCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl,-2.7234556720351857 |
| CCc1cccc(N2CCN(CC(O)CCNC(=O)c3nc(C)c[nH]3)CC2)c1Cl,-3.292256071356476 |
| CCc1cccc(N2CCN(C/C=C/CNC(=O)c3nc(C)c[nH]3)CC2)c1Cl,-2.7015679850559273 |
| CCc1cccc(N2CCN(CCC(O)CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl,-2.484299839346786 |
| CN1CCc2cccc3c2C1Cc1ccc2nc(N)sc2c1-3,-2.682145076373832 |
| CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl,0.0655015487564322 |
|
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