| SMILES,Ki | |
| CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C([C@@H](O)c2ccc(Cl)c(Cl)c2)C1,-3.617000341120899 | |
| CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,-1.0374264979406236 | |
| Cc1ccc(C2OC(=O)OC3(c4ccc(C)cc4)CCN(C)CC23)cc1,-3.913283901760418 | |
| Cc1ccc([C@H](O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1,-4.027349607774757 | |
| CN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1,-3.755874855672491 | |
| CN1CCC(O)(c2ccc(Cl)cc2Cl)C([C@@H](O)c2ccc(Cl)cc2Cl)C1,-3.6384892569546374 | |
| CN1CCC(O)(c2ccc(Cl)cc2Cl)C(C(=O)c2ccc(Cl)cc2Cl)C1,-3.562292864456474 | |
| CN(C)Cc1ccccc1Sc1ccc(C#N)cc1N,-3.153204900084284 | |
| COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,-0.3560258571931227 | |
| CNCCC(Oc1ccccc1OC)c1ccccc1,-1.4771212547196624 | |
| CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N,-3.3092041796704077 | |
| COc1ccc(Sc2ccccc2CN(C)C)c(N)c1,-3.4234097277330933 | |
| CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N,-2.060697840353612 | |
| CN1C2CCC1[C@@H](/C=C/Cl)[C@@H](c1ccc(Cl)cc1)C2,0.2596373105057561 | |
| CN(CCOC(c1ccccc1)c1ccccc1)C1CCN(CCCc2ccccc2)CC1,-1.4771212547196624 | |
| OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21,-1.3636119798921444 | |
| Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,-2.041392685158225 | |
| Oc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,-1.9400181550076632 | |
| CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,-2.531478917042255 | |
| c1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,-2.204119982655925 | |
| COc1cccc2c1C1=NCCN1C2(O)c1ccc(Cl)cc1,-0.4623979978989561 | |
| Fc1ccc(CCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,-2.0 | |
| COc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1,-1.5587085705331658 | |
| OC1(c2ccccc2)c2ccccc2C2=NCCN21,-3.0293837776852097 | |
| c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1,-1.919078092376074 | |
| c1ccc(CCCN2CCCC(CNCCOC(c3ccccc3)c3ccccc3)C2)cc1,-1.255272505103306 | |
| NCCc1ccc(O)c(O)c1,-3.806179973983887 | |
| OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21,-0.2304489213782739 | |
| OC1(c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc2C2=NCCN21,-0.021189299069938 | |
| COC(=O)C1C(c2ccc(OC)c(OC)c2)CC2CCC1N2C,-3.186391215695493 | |
| c1ccc(CCCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,-1.845098040014257 | |
| COc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)N1CCN=C21,-0.7781512503836436 | |
| Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1,-1.9395192526186185 | |
| CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1,-1.9542425094393248 | |
| COc1cccc2c1C(O)(c1ccc(Cl)cc1)N1CCN=C21,-1.0128372247051722 | |
| Clc1ccc(C2c3ccccc3C3=NCCN32)cc1,-1.3617278360175928 | |
| OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21,-0.3031960574204888 | |
| OC1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21,-0.4517864355242902 | |
| OC1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21,-1.434568904034199 | |
| OC1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21,-2.1818435879447726 | |
| OC1(c2ccc3ccccc3c2)c2ccccc2C2=NCCN21,-1.6532125137753435 | |
| Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1,-0.2068258760318497 | |
| Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1,0.1366771398795441 | |
| Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,-0.8616339626031764 | |
| Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,-0.041392685158225 | |
| Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1,0.00436480540245 | |
| Fc1ccc(C(OCCC2CCN(Cc3cccc4ccccc34)CC2)c2ccc(F)cc2)cc1,-1.2041199826559248 | |
| Fc1ccc(C(OCCC2CCN(Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1,0.1487416512809247 | |
| Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1,-0.1139433523068367 | |
| Fc1ccc(C(OCCC2CCN(CC#Cc3ccccc3)CC2)c2ccc(F)cc2)cc1,-0.724275869600789 | |
| Fc1ccc(C(OCCC2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1,0.3467874862246563 | |
| Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1,-0.0043213737826425 | |
| CN1C2CCC1C(C(=O)Oc1ccccc1)C(c1ccc(Cl)cc1)C2,-0.7201593034059569 | |
| CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,-4.218535505216527 | |
| Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1,-1.4471580313422192 | |
| O=C1CN(CCc2ccccc2)CCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1,-3.155336037465062 | |
| CN(CCCc1ccccc1)CCCN(C)CCOC(c1ccccc1)c1ccccc1,-2.0863598306747484 | |
| COC(=O)C1C(c2ccc(/C=C\Br)cc2)CC2CCC1N2C,-0.4913616938342727 | |
| O=C(Cc1ccccc1)NCCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,-1.7853298350107671 | |
| O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,-1.7323937598229686 | |
| CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1,-2.507855871695831 | |
| O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,-1.7075701760979365 | |
| COC(=O)C1C(c2ccc(/C=C\I)cc2)CC2CCC1N2C,-1.3424226808222062 | |
| CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1,-1.4771212547196624 | |
| CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1,-1.414973347970818 | |
| O=C(Cc1ccc(F)cc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1,-1.7323937598229686 | |
| O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1,-3.9138138523837167 | |
| COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2,-0.7481880270062005 | |
| C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-3.6900001601687737 | |
| COC(=O)C1C(c2ccc(C=C(Br)Br)cc2)CC2CCC1N2C,-0.8280150642239769 | |
| O=C(CCc1ccc(Br)cc1)N/C=C/NCCOC(c1ccc(F)cc1)c1ccc(F)cc1,-2.7075701760979363 | |
| COC(=O)C1C2CCC(CC1c1ccc(/C=C\Br)cc1)N2,-0.5910646070264992 | |
| CN1C2CCC1C(C(=O)NCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,-1.2648178230095364 | |
| CN1C2CCC1C(C(=O)NCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,-1.3364597338485296 | |
| CN1C2CCC1C(C(=O)NCCCCCCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,-0.8260748027008264 | |
| CN1C2CCC1C(C(=O)NCCCNC(=O)C1C(c3ccc(Cl)cc3)CC3CCC1N3C)C(c1ccc(Cl)cc1)C2,-1.813580988568192 | |
| CN([C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)C(C)(C)C,-3.447158031342219 | |
| CC(C)N(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,-2.2671717284030137 | |
| CC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,-1.6180480967120927 | |
| COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN23,-3.521138083704036 | |
| COC(=O)C1C(c2cccc(-c3ccco3)c2)CC2CCC1N2C,-1.7323937598229686 | |
| COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2,-2.6414741105040993 | |
| COC(=O)C1C(c2cccc(-c3ccccc3)c2)CC2CCC1N2C,-0.9459607035775686 | |
| COC(=O)C1C(c2cccc(-c3ccsc3)c2)CC2CCC1N2C,-1.4742162640762553 | |
| COC(=O)C1C(c2cccc(I)c2)CC2CCC1N2C,-2.2600713879850747 | |
| CC(C)OC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)CN2C,0.0457574905606751 | |
| COC(=O)C1C2CCC(C[C@@H]1c1ccc(I)cc1)CN2C,0.3187587626244128 | |
| CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,-1.6989700043360187 | |
| CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1,-0.7781512503836436 | |
| CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1,-1.8573324964312683 | |
| COc1ccc2cc([C@H]3C4CCC(C4)[C@@H]3CN(C)C)ccc2c1,-1.806179973983887 | |
| CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1,-1.806179973983887 | |
| CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12,-2.633468455579586 | |
| CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1,-1.7781512503836436 | |
| CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,-2.0492180226701815 | |
| CN1C2CCC1C(C(=O)OCCCF)C(c1ccc(Br)cc1)C2,-0.6989700043360189 | |
| O=C(OCCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,-0.6989700043360189 | |
| CN1C2CCC1C(C(=O)OCCF)C(c1ccc(Br)cc1)C2,-0.6989700043360189 | |
| O=C(OCCF)C1C2CCC(CC1c1ccc(Br)cc1)N2,-0.6989700043360189 | |
| O=C(OCCF)C1C2CCC(CC1c1ccc(I)cc1)N2,-0.6989700043360189 | |
| CN(C)Cc1ccccc1Sc1ccc(I)cc1N,-2.9242792860618816 | |
| CN(C)Cc1ccccc1Oc1ccc(I)cc1N,-2.4899584794248346 | |
| Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,-2.7259116322950483 | |
| CN(C)Cc1ccccc1Sc1ccccc1N,-2.4456042032735974 | |
| C=Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,-2.983175072037813 | |
| CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-],-2.9863237770507656 | |
| CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-],-2.843855422623161 | |
| CN(C)Cc1ccccc1Sc1ccc(CO)cc1N,-3.557266528869904 | |
| Cc1ccc(Sc2ccccc2CN)c(N)c1,-3.723947976431643 | |
| CCNCc1ccccc1Sc1ccc(C)cc1N,-3.3265406685165617 | |
| Cc1ccc(Sc2ccccc2CNCCF)c(N)c1,-3.6460114095912393 | |
| CCCNCc1ccccc1Sc1ccc(C)cc1N,-3.550105999347593 | |
| C=CCNCc1ccccc1Sc1ccc(C)cc1N,-3.463594402187 | |
| CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,-1.1398790864012365 | |
| Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1,-1.5899496013257075 | |
| CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2,-1.369957607346053 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1,-1.2699796766453235 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1,-1.3500540935790304 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1,-2.3600061322290986 | |
| OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,-1.6900187807886953 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1,-2.8199977335107764 | |
| NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,-1.4099331233312946 | |
| O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1,-0.8100307864058395 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1,-0.909983694939844 | |
| O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1,-1.1501421618485586 | |
| O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1,-0.7000110623221123 | |
| CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12,-3.322219294733919 | |
| CNCCCC1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O,-1.1139433523068367 | |
| CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NC[C@H]4CC[C@H](C(=O)NCCN5C6CCC5[C@@H](C(=O)OC)[C@@H](c5ccc(Cl)c(Cl)c5)C6)CC4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,-2.639486489268586 | |
| Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O[11CH3])cc34)CC2)c1=O,-2.610021024664145 | |
| CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1,-2.1583624920952498 | |
| CCCCNC(CCC)C(=O)c1ccc(Cl)c(Cl)c1,-2.716003343634799 | |
| C#CCC(C(=O)c1ccc(C)cc1)N1CCCC1,-3.3636119798921444 | |
| C=CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,-1.6009728956867482 | |
| C=CCC(C(=O)c1ccc(C)cc1)N1CCCC1,-1.9566485792052033 | |
| Cc1ccc(C(=O)C(CC(C)C)N2CCCC2)cc1,-1.136720567156407 | |
| CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,-1.4593924877592308 | |
| CCCC(CN1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1,-3.184691430817599 | |
| CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,-3.926342446625655 | |
| CCCC(C(=O)c1ccc(-c2cccn2C)cc1)N1CCCC1,-3.5854607295085006 | |
| CCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1,-2.6627578316815743 | |
| CCCC(C(=O)c1ccc(-c2ccco2)cc1)N1CCCC1,-2.0211892990699383 | |
| CCCC(C(=O)c1ccc(O)c(O)c1)N1CCCC1,-1.9242792860618816 | |
| CCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1,-1.0606978403536118 | |
| CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1,-1.3031960574204888 | |
| CCCC(C(=O)c1cccc(C)c1)N1CCCC1,-1.7075701760979365 | |
| CCCC(C(=O)c1ccccc1C)N1CCCC1,-1.7759743311293692 | |
| CC#Cc1ccc(C(=O)C(CCC)N2CCCC2)cc1,-1.7853298350107671 | |
| CCCC(C(=O)c1ccc(NC(C)=O)cc1)N1CCCC1,-1.4800069429571503 | |
| CCCC(C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1,-2.5563025007672873 | |
| CCCC(C(=O)c1ccc(OC)cc1)N1CCCC1,-2.5171958979499744 | |
| CCCC(C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1,-2.424881636631067 | |
| CCCC(C(=O)c1ccc(O)cc1)N1CCCC1,-2.096910013008056 | |
| CCCC(C(=O)c1ccc(CO)cc1)N1CCCC1,-1.6875289612146342 | |
| CCCC(C(=O)c1ccc(C#N)cc1)N1CCCC1,-3.770852011642144 | |
| CCCC(C(=O)c1cccc(I)c1)N1CCCC1,-2.037426497940624 | |
| CCCC(C(=O)c1ccc(I)cc1)N1CCCC1,-1.9106244048892012 | |
| CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1,-1.7075701760979365 | |
| CCCC(C(=O)c1ccc(F)cc1)N1CCCC1,-1.9138138523837167 | |
| CCCC(C(=O)c1ccccc1)N1CCCC1,-1.5276299008713388 | |
| COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,-3.255272505103306 | |
| C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3,-1.612677918316502 | |
| COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,-0.6570558528571039 | |
| COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(Br)cc1)C3,-0.4683473304121572 | |
| COC(=O)/C=C1/CN2C3CCC2C1C(c1ccc(C)cc1)C3,-1.1222158782728269 | |
| C=C1CN2C3CCC2C1C(c1ccc(I)cc1)C3,-0.9283958522567138 | |
| C=C1CN2C3CCC2C1C(c1ccc(Cl)cc1)C3,-1.0881360887005511 | |
| C=C1CN2C3CCC2C1C(c1ccc(Br)cc1)C3,-1.6224212739756705 | |
| COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/I)c1)N2,-1.4756711883244296 | |
| COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(/C=C/Br)c1)N2,-1.513217600067939 | |
| CC(c1ccc(Cl)cc1)C1CCCCN1,-2.255272505103306 | |
| CCC(CC)C(c1ccc(Cl)cc1)C1CCCCN1,-2.6020599913279625 | |
| CC(=O)C(c1ccccc1)C1CCCCN1,-2.568201724066995 | |
| CC(C)CC(c1ccc(C(C)C)cc1)C1CCCCN1,-3.5185139398778875 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(=N)N)cc(C(C)=O)c1,-1.4913616938342726 | |
| CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,-3.3184807251745174 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1,-3.087781417809542 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(C(C)=O)c1,-2.9689496809813427 | |
| C#CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,-2.79309160017658 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1,-2.8135809885681917 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(C(C)=O)c1,-3.424718337331567 | |
| CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,-2.877371345869774 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(C(C)=O)c1,-2.784617292632875 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(C(C)=O)c1,-2.6541765418779604 | |
| C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,-2.4727564493172123 | |
| CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1,-2.1958996524092336 | |
| CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1,-3.3502480183341627 | |
| C=CCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,-2.931966114728173 | |
| CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1,-2.399673721481038 | |
| CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1,-2.8785217955012063 | |
| CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C)c1,-1.9822712330395684 | |
| CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(C(C)=O)c1,-2.075546961392531 | |
| CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1,-2.3404441148401185 | |
| CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1,-1.505149978319906 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.255272505103306 | |
| COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,-2.7234556720351857 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)N3C)cc1,-2.0211892990699383 | |
| COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,-1.7242758696007892 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1,-1.146128035678238 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1,-2.146128035678238 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)N3C)cc1,-1.0791812460476249 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Br)cc4)s2)N3C)cc1,-2.113943352306837 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1,-2.3263358609287517 | |
| Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(F)cc4)s2)N3C)cc1,-1.7853298350107671 | |
| COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1OC,-2.369215857410143 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)c(Cl)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.8195439355418688 | |
| COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1,-0.9344984512435676 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc([N+](=O)[O-])c3)s1)[C@@H](c1ccc(Cl)cc1)C2,-0.8864907251724818 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc([N+](=O)[O-])cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,-0.785329835010767 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3cccc(Br)c3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.591064607026499 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Br)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.5440680443502757 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(Cl)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.4471580313422192 | |
| CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2,-1.0791812460476249 | |
| COC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)CCC1,-3.815577748324267 | |
| COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.278753600952829 | |
| COC(=O)c1ccccc1-c1ccc2ccccc2c1,-3.6085260335771943 | |
| CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCNC1,-4.313867220369153 | |
| CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCNC1,-2.9647309210536292 | |
| CCOC(=O)C1=C(c2ccc3ccccc3c2)CCNC1,-1.8976270912904416 | |
| COC(=O)C1=C(c2ccc(C(C)=O)cc2)CCC1,-4.690196080028514 | |
| COC(=O)C1=C(c2ccc(OC)cc2)CCC1,-3.7993405494535817 | |
| COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2,-0.8075350280688532 | |
| C#Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,-0.3541084391474008 | |
| C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1,-1.0038911662369103 | |
| COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2,-1.0595634179012676 | |
| COC(=O)C1=C(c2cc(C)c(C)cc2C)C2CCC1C2,-4.507855871695831 | |
| COC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)C2CCC1N2,-4.831869774280501 | |
| COC(=O)C1=C(c2ccc(C)c(F)c2)C2CCC1C2,-4.748188027006201 | |
| CNCc1cc(C#CCCN2CCC(F)CC2)ccc1Oc1ccc(SC)cc1,-2.278753600952829 | |
| CNCc1cc(C#CCCN(C)C2CC2)ccc1Oc1ccc(SC)cc1,-2.6020599913279625 | |
| CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)c(C)c1,-3.0 | |
| CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(SC)cc1,-2.845098040014257 | |
| CN(C)Cc1cc(OCCF)ccc1Sc1ccccc1N,-2.531478917042255 | |
| CN(C)Cc1cc(O)ccc1Sc1ccccc1N,-2.8188854145940097 | |
| COc1ccc(Sc2ccccc2N)c(CN(C)C)c1,-2.760422483423212 | |
| CN(C)Cc1cc(OCCCO)ccc1Sc1ccccc1N,-2.6464037262230695 | |
| CN(C)Cc1cc(OCCO)ccc1Sc1ccccc1N,-2.545307116465824 | |
| CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N,-2.4756711883244296 | |
| CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N,-2.9278834103307068 | |
| CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,-1.662757831681574 | |
| COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1,-2.0086001717619175 | |
| CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1,-1.462397997898956 | |
| c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1,-2.0293837776852097 | |
| O=C(OCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.1760912590556813 | |
| O=C(OCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.6020599913279625 | |
| Cc1cccc(OC(=O)C2=C(c3ccc(Cl)c(Cl)c3)CCC2)c1,-1.7781512503836436 | |
| Cc1ccccc1OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.342422680822206 | |
| O=C(Oc1ccccc1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.230448921378274 | |
| O=C(OCC(F)(F)F)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.531478917042255 | |
| O=C(OCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.6989700043360187 | |
| O=C(OCCO)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.4771212547196626 | |
| CC(C)OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.4149733479708178 | |
| O=C(OC1CCCCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-4.079181246047625 | |
| O=C(NCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-1.4771212547196624 | |
| O=C(NCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.146128035678238 | |
| CONC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-2.9190780923760737 | |
| CON(C)C(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.806179973983887 | |
| O=C(NCCF)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-1.845098040014257 | |
| O=C(NC1CCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-3.9542425094393248 | |
| CCN(CC)C(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1,-4.973127853599698 | |
| O=C(C1=C(c2ccc(Cl)c(Cl)c2)CCC1)N1CCCC1,-4.763427993562937 | |
| O=C(C1=C(c2ccc(Cl)c(Cl)c2)CCC1)N1CCOCC1,-4.041392685158225 | |
| CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,-2.690196080028514 | |
| CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C,-3.812913356642856 | |
| CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N,-2.3443922736851106 | |
| CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1,-3.863322860120456 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1,-3.9542425094393248 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(F)c1,-3.903089986991944 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1,-3.863322860120456 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,-3.3979400086720375 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,-2.886490725172482 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,-2.5185139398778875 | |
| CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,-3.886490725172482 | |
| CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1,-3.845098040014257 | |
| CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1cccc(OC)c1,-3.845098040014257 | |
| CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1,-3.4771212547196626 | |
| CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,-2.690196080028514 | |
| CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1,-2.5185139398778875 | |
| CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)c(C)c1,-3.845098040014257 | |
| CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)c(C)c1,-3.6020599913279625 | |
| CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1,-3.9190780923760737 | |
| Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1,-3.4216039268698313 | |
| CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1,-3.2810333672477277 | |
| CCCc1ccccc1Oc1cc(C)ncc1CN(C)C,-3.3521825181113627 | |
| CCCc1ccccc1Oc1cc(C)ncc1CNC,-3.296665190261531 | |
| Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1,-3.459392487759231 | |
| CNCc1cnc(C)cc1Oc1ccccc1C(C)C,-3.3283796034387376 | |
| Cc1cc(Oc2ccccc2Cl)c(CN(C)C)cn1,-3.0644579892269186 | |
| CNCc1cnc(C)cc1Oc1ccccc1Cl,-2.921166050637739 | |
| CSc1ccccc1Oc1cc(C)ncc1CN(C)C,-3.285557309007774 | |
| CNCc1cnc(C)cc1Oc1ccccc1SC,-3.2430380486862944 | |
| Cc1cc(Oc2ccccc2C)c(CN(C)C)cn1,-3.1492191126553797 | |
| CNCc1cnc(C)cc1Oc1ccccc1C,-3.1818435879447726 | |
| CCOc1ccccc1Oc1cc(C)ncc1CN(C)C,-3.3324384599156054 | |
| CCOc1ccccc1Oc1cc(C)ncc1CNC,-3.3783979009481375 | |
| COc1ccccc1Oc1cc(C)ncc1CN(C)C,-3.6085260335771943 | |
| CNCc1cnc(C)cc1Oc1ccccc1OC,-3.681241237375587 | |
| CCc1ccccc1Oc1cc(C)ncc1CN(C)C,-3.424881636631067 | |
| CCc1ccccc1Oc1cc(C)ncc1CNC,-3.357934847000454 | |
| CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC,-3.6384892569546374 | |
| COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@@H]1CNCCO1,-3.2174839442139063 | |
| COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1,-4.033423755486949 | |
| COc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1,-3.037426497940624 | |
| Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl,-2.6232492903979003 | |
| c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,-3.7596678446896306 | |
| COc1cc(F)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,-3.4885507165004443 | |
| Fc1ccc(C(OCCN2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1,-0.9030899869919436 | |
| O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,-2.6532125137753435 | |
| O=C(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,-1.7323937598229686 | |
| CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,-2.1760912590556813 | |
| CC(O)(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-1.7558748556724917 | |
| C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,-2.6127838567197355 | |
| C=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.0 | |
| O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,-1.0 | |
| O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-0.8129133566428556 | |
| CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,-0.8450980400142568 | |
| CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,-0.6020599913279624 | |
| C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,-1.4771212547196624 | |
| C=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,-1.255272505103306 | |
| O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1,-2.322219294733919 | |
| O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1,-1.6812412373755872 | |
| CC(Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-1.230448921378274 | |
| COc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,-3.3010299956639813 | |
| Cc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1,-2.439332693830263 | |
| Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,-2.514547752660286 | |
| [11CH3]Oc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2,-3.3961993470957363 | |
| [11CH3]Oc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2,-3.062581984228163 | |
| [11CH3]Oc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(I)cc13)C2,-3.562292864456474 | |
| [11CH3]Oc1cccc2c1CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,-3.5428254269591797 | |
| [11CH3]Oc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2,-3.012837224705172 | |
| [11CH3]Oc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2,-3.171726453653231 | |
| COc1ccc(CCN(C)CCN2CCCCC2)cc1,-4.1103539826640025 | |
| CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,-3.979092900638326 | |
| CN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1,-4.076276255404218 | |
| CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,-4.120244795546365 | |
| CN(CCc1ccccc1OC(F)(F)F)CCN1CCCC1,-4.078094150406411 | |
| CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,-3.378216149749878 | |
| CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1,-3.6152133348013584 | |
| CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,-3.742332282357149 | |
| CN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1,-3.801472313521471 | |
| c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1,-0.6989700043360189 | |
| CCCCC1(c2ccc3[nH]ccc3c2)CCNC1,-1.7781512503836436 | |
| CCCC1(c2ccc3[nH]ccc3c2)CCNC1,-2.5599066250361124 | |
| CC1(c2ccc3[nH]ccc3c2)CCNC1,-2.7403626894942437 | |
| N#Cc1c[nH]c2ccc(C3(Cc4ccccc4)CCNC3)cc12,-2.859738566197147 | |
| CN(C)C(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,-2.0170333392987803 | |
| CNC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,-2.519827993775719 | |
| NC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,-1.255272505103306 | |
| N#Cc1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,-1.919078092376074 | |
| CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1,-1.57978359661681 | |
| Cn1ccc2cc(C3(Cc4ccccc4)CCNC3)ccc21,-1.0 | |
| c1ccc(CCC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,-1.7634279935629371 | |
| COc1cccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)c1,-1.591064607026499 | |
| Fc1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,-1.8976270912904416 | |
| c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1,-1.792391689498254 | |
| c1ccc(CC2(c3c[nH]c4ccccc34)CCNC2)cc1,-3.100370545117563 | |
| c1ccc(CC2(c3cnc4[nH]ccc4c3)CCNC2)cc1,-2.869818207979328 | |
| c1ccc(CC2(c3ccc4sccc4c3)CCNC2)cc1,-1.2041199826559248 | |
| c1ccc(CC2(c3ccc4[nH]ncc4c3)CCNC2)cc1,-2.060697840353612 | |
| c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)cc1,-1.061829307294699 | |
| Clc1ccc(C23CNCC2C3)cc1Cl,-2.399673721481038 | |
| O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-3.060697840353612 | |
| c1ccc(-c2ccccc2CN[C@H]2CCNC2)cc1,-3.392696953259666 | |
| CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.429752280002408 | |
| CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,-3.406540180433955 | |
| CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O,-3.469822015978163 | |
| CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,-3.460897842756548 | |
| O=S(=O)(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)C(F)(F)F,-3.3180633349627615 | |
| CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.4313637641589874 | |
| CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.315970345456918 | |
| CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.4409090820652177 | |
| O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.622214022966295 | |
| CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.4727564493172123 | |
| CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,-3.278753600952829 | |
| CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1,-3.506505032404872 | |
| CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,-3.523746466811565 | |
| CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.3031960574204886 | |
| COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.503790683057181 | |
| CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1,-3.5440680443502757 | |
| CSc1ccccc1CN(C(=O)C(C)C)[C@H]1CCNC1,-3.1398790864012365 | |
| CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1,-3.4653828514484184 | |
| CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1,-3.5327543789924976 | |
| CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.5728716022004803 | |
| CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.416640507338281 | |
| O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1,-3.3283796034387376 | |
| O=C(OCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,-1.550228353055094 | |
| O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\I)c1)N2,-2.2545480771089736 | |
| O=C(OCCCF)C1C2CCC(CC1c1cccc(/C=C\Br)c1)N2,-2.074450718954591 | |
| COc1ccc(F)cc1CCCC1CCC(CCN)O1,-3.863739107345217 | |
| COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1,-3.394101302040045 | |
| COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1,-3.727541257028556 | |
| CNCCC1CCC(CCc2cc(F)ccc2OC)O1,-4.825997011647945 | |
| NCC1CCC(c2ccccc2)O1,-2.9618954736678504 | |
| NCC1CCC(c2ccc(Cl)cc2)O1,-3.8344207036815328 | |
| NCC1CCC(c2ccc(Br)cc2)O1,-3.7865384804978026 | |
| NCC1CCC(c2ccc3ccccc3c2)O1,-2.709269960975831 | |
| NCC1CCC(c2cccc3ccccc23)O1,-3.9303886182443217 | |
| NCC1CCC(CCc2ccccc2)O1,-3.1775364999298623 | |
| Cc1cc(CCC2CCC(CCN)O2)ccc1F,-3.804548308388056 | |
| NCCC1CCC(CCc2ccc(O)cc2)O1,-3.7402047355074495 | |
| COc1ccc(F)cc1C1CCC(CN)O1,-4.63103769653674 | |
| COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1,-4.517723594833735 | |
| COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1,-3.587486465410964 | |
| COc1ccc(F)cc1CCCCC1CCC(CCN)O1,-3.5298151966446305 | |
| CCCC(C(=O)c1ccc(N)c(I)c1)N1CCCC1,-1.4471580313422192 | |
| CCCC(C(=O)c1ccc(N)cc1)N1CCCC1,-0.6989700043360189 | |
| CCCC(C(=O)c1ccc(N=[N+]=[N-])c(I)c1)N1CCCC1,-1.8920946026904804 | |
| Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,-3.369215857410143 | |
| CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,-3.423245873936808 | |
| O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1,-3.1335389083702174 | |
| CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,-3.428134794028789 | |
| CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,-3.5646660642520893 | |
| CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1,-3.3096301674258988 | |
| O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1,-3.5705429398818973 | |
| CCCN(C(=O)c1ccccc1SC)[C@H]1CCNC1,-3.4927603890268375 | |
| CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1,-3.678518379040114 | |
| CSc1ccccc1C(=O)N(c1ccccc1)[C@H]1CCNC1,-3.53655844257153 | |
| CSc1ccccc1C(=O)N(C1CCCCC1)[C@H]1CCNC1,-3.469822015978163 | |
| O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1,-3.4955443375464483 | |
| O=C(c1ccccc1C(F)(F)F)N(CC1CCCC1)[C@H]1CCNC1,-3.439332693830263 | |
| CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1,-3.5403294747908736 | |
| CCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1,-3.552668216112193 | |
| O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1,-3.667452952889954 | |
| O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@@H]1CCNC1,-3.612783856719735 | |
| COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,-1.899984562549391 | |
| NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,-1.4000196350651586 | |
| N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,-2.9000009651534695 | |
| N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,-1.4999618655961902 | |
| N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,-2.7000023971422538 | |
| Fc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,-2.400002345927956 | |
| Fc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,-1.899984562549391 | |
| Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1,-2.099991233544684 | |
| c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1,-2.7000023971422538 | |
| c1ccc(CCN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,-2.200001865406602 | |
| O=C(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,-3.59999981394342 | |
| CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,-3.1999991251967965 | |
| Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21,-1.899984562549391 | |
| c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1,-2.300008202553813 | |
| c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1,-1.7000110623221123 | |
| c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNC2)cc1,-1.4999618655961902 | |
| c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCCNC2)cc1,-1.599992177584098 | |
| c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1,-1.7000110623221123 | |
| CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1,-2.7000023971422538 | |
| CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1,-2.300008202553813 | |
| Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,-0.0 | |
| Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1,-0.7781512503836436 | |
| Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,-1.1139433523068367 | |
| Fc1cccc(Oc2ccccc2)c1C1CCNCC1,-1.6532125137753435 | |
| O=C1C(Cc2ccccc2N2CCNCC2)SCCN1c1ccc(Cl)c(Cl)c1,-1.9395192526186185 | |
| Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1,-2.143014800254095 | |
| Fc1cccc(Oc2ccccc2C2CCNCC2)c1,-2.220108088040055 | |
| Fc1cccc(C2CCNCC2)c1Oc1ccccc1,-2.3783979009481375 | |
| c1ccc(Oc2ccccc2C2CCNCC2)cc1,-2.4533183400470375 | |
| Clc1cccc(Oc2ccccc2C2CCNCC2)c1,-2.4913616938342726 | |
| c1ccc(OCc2ccccc2C2CCNCC2)cc1,-2.597695185925512 | |
| Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1,-2.655138434811382 | |
| Fc1cccc(OCc2ccccc2C2CCNCC2)c1,-2.663700925389648 | |
| Fc1cccc(OCc2ccccc2N2CCNCC2)c1F,-2.6720978579357175 | |
| Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1,-2.8188854145940097 | |
| c1ccc(OCc2ccccc2N2CCNCC2)cc1,-2.8457180179666586 | |
| c1ccc(COc2ccccc2C2CCNCC2)cc1,-3.0 | |
| Fc1cccc(OCc2ccccc2)c1C1CCNCC1,-3.012837224705172 | |
| Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1,-3.03342375548695 | |
| O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F,-3.1335389083702174 | |
| Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1,-3.161368002234975 | |
| Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1,-3.225309281725863 | |
| Fc1ccccc1COc1ccccc1C1CCNCC1,-3.257678574869185 | |
| Fc1ccc(Oc2ccccc2N2CCNCC2)cc1,-3.645422269349092 | |
| c1ccc(Oc2ccccc2N2CCNCC2)cc1,-3.674861140737811 | |
| Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1,-3.7427251313046983 | |
| Fc1cccc(C2CCNCC2)c1OCc1ccccc1,-3.8674674878590514 | |
| Fc1ccc(COc2ccccc2C2CCNCC2)cc1,-3.959994838328416 | |
| CCN(CC)C(C)C(=O)c1cccc(Cl)c1,-3.345177616542704 | |
| CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,-3.342422680822206 | |
| CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1,-3.34143452457814 | |
| CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1,-3.282848602834645 | |
| Cc1cc(C(=O)C(C)NC(C)(C)C)ccc1Br,-3.2405492482825995 | |
| CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1,-3.230448921378274 | |
| CC(NC1CC1)C(=O)c1cccc(Cl)c1,-3.060697840353612 | |
| Cc1ccc(C(=O)C(C)NC(C)(C)C)cc1Cl,-3.060697840353612 | |
| CC(C(=O)c1cccc(Cl)c1)N1CCCCC1,-3.059941888061955 | |
| CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-2.8506462351830666 | |
| CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-2.7075701760979363 | |
| CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,-2.673941998634088 | |
| CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-2.661812685537261 | |
| CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-2.5440680443502757 | |
| CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,-2.444044795918076 | |
| CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-2.146128035678238 | |
| CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-1.9822712330395684 | |
| CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1,-1.640481436970422 | |
| CC(NC1CCC1)C(=O)c1cccc(Cl)c1,-2.5352941200427703 | |
| CC(C(=O)c1cccc(Cl)c1)N(C)C(C)(C)C,-3.806179973983887 | |
| CC(NC(C)(C)C)C(=O)c1ccccc1,-3.75815462196739 | |
| CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1,-3.752816431188271 | |
| CC(NC(C)(C)C)C(=O)c1cccc(F)c1,-3.65417654187796 | |
| CC(NC(C)(C)C)C(=O)c1cccc(Br)c1,-3.6232492903979 | |
| CC(C(=O)c1cccc(Cl)c1)N(C)C,-3.616265405281708 | |
| CC(C)NC(C)C(=O)c1cccc(Cl)c1,-3.5998830720736876 | |
| CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,-0.0 | |
| COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccsc3)cc1)N2C,-0.3979400086720376 | |
| CN1C2CCC1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,-0.5910646070264992 | |
| CN1C2CCC1[C@@H](C(=O)OCCCCCn1ccnn1)[C@@H](c1ccc(Cl)cc1)C2,-0.7403626894942439 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,-0.8195439355418687 | |
| CN1C2CCC1[C@@H](C(=O)OCc1cn(CCOC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2,-1.2041199826559248 | |
| CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,-1.3010299956639813 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,-1.3222192947339193 | |
| CN1C2CCC1[C@@H](C(=O)NCc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-1.968482948553935 | |
| CN1C2CCC1[C@@H](C(=O)NCc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.204119982655925 | |
| CN1C2CCC1[C@@H](C(=O)NCCC1CCN(C(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,-2.255272505103306 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.322219294733919 | |
| CN1C2CCC1[C@@H](C(=O)NCc1cccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)c1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.361727836017593 | |
| CN1C2CCC1[C@@H](C(=O)NCCCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.5440680443502757 | |
| CN1C2CCC1[C@@H](C(=O)NCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.7323937598229686 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)cc1)[C@@H](c1ccc(Cl)cc1)C2,-2.838849090737255 | |
| CN1C2CCC1[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]1C3CCC(C[C@@H]1c1ccc(-c4ccsc4)cc1)N3C)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.838849090737255 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(CCNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.8512583487190755 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(CNC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)cc1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-2.903089986991944 | |
| CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(Cl)cc3)N4C)CC1)[C@@H](c1ccc(Cl)cc1)C2,-2.949390006644913 | |
| CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)CC1)[C@@H](c1ccc(-c3ccsc3)cc1)C2,-3.113943352306837 | |
| CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1,-2.7403626894942437 | |
| NCC[C@@H](Oc1cccc2ccccc12)c1cccs1,-3.550105999347593 | |
| Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1,-2.1367205671564067 | |
| Fc1ccccc1Oc1cccc(F)c1C1CCNCC1,-2.444044795918076 | |
| c1ccc(Oc2ncccc2C2CCNCC2)cc1,-3.634477270160731 | |
| Clc1ccccc1Oc1ncccc1C1CCNCC1,-3.711807229041191 | |
| COc1ccccc1Oc1ncccc1C1CCNCC1,-3.8068580295188177 | |
| FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1,-3.822821645303105 | |
| Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl,-2.4913616938342726 | |
| Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1,-3.413299764081252 | |
| COc1cccc(F)c1Oc1ncccc1C1CCNCC1,-3.8068580295188177 | |
| Clc1ccc([C@]2(CCOC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,-0.8000293592441343 | |
| CCC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,-0.7000110623221123 | |
| CC(C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,-0.8000293592441343 | |
| CCOCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,-1.2000292665537704 | |
| CCC(C)OC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,-0.899984562549391 | |
| FC(F)(F)COC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21,-1.4000196350651586 | |
| Clc1ccc([C@]2(COC3CCC3)[C@H]3CNC[C@H]32)cc1Cl,-0.8000293592441343 | |
| Clc1ccc([C@]2(COCC3CC3)[C@H]3CNC[C@H]32)cc1Cl,-1.0 | |
| Cc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1,-1.4999618655961902 | |
| Cc1cnc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)o1,-2.099991233544684 | |
| CCOCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,-1.899984562549391 | |
| OCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,-1.899984562549391 | |
| COC[C@@H]1[C@H]2CNC[C@]21c1ccc2ccccc2c1,-1.4000196350651586 | |
| CCC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1,-1.4000196350651586 | |
| CSC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,-1.8000293592441343 | |
| CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,-2.800001827817969 | |
| Fc1ccc(OC[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)cc1,-1.899984562549391 | |
| Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCCC2)cc1Cl,-1.299942900022767 | |
| CC(C)OC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,-0.7000110623221123 | |
| FC(F)(F)COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,-1.4000196350651586 | |
| CCOC[C@H]1[C@@H]2CN(C)C[C@]12c1ccc(Cl)c(Cl)c1,-1.599992177584098 | |
| CCOC[C@H]1[C@@H]2CNC[C@@]21C,-2.300008202553813 | |
| CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,-0.899984562549391 | |
| CCCOC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1,-1.1000257301078626 | |
| Cc1ccc(Sc2cc(F)ccc2CN(C)C)c(N)c1,-3.0863598306747484 | |
| Cc1ccc(Oc2cc(F)ccc2CN(C)C)c(N)c1,-2.9822712330395684 | |
| Cc1ccc(Oc2ccc(F)cc2CN(C)C)c(N)c1,-2.7015679850559273 | |
| Cc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1,-2.8609366207000937 | |
| Cc1ccc(Oc2ccc(OCCF)cc2CN(C)C)c(N)c1,-3.621799224002668 | |
| Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1,-3.843606471924511 | |
| Cc1ccc(Oc2ccc(OCCCCF)cc2CN(C)C)c(N)c1,-3.5567847823070253 | |
| CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1,-2.806179973983887 | |
| CCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,-3.037426497940624 | |
| CCCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,-2.7993405494535817 | |
| O=C(c1cccc(Cl)c1Cl)N(CC(F)(F)F)[C@H]1CCNC1,-3.5717088318086874 | |
| O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1,-2.606381365110605 | |
| CC(C)(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,-2.436162647040756 | |
| O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1,-2.9925535178321354 | |
| CCC(CC)N(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1,-3.4149733479708178 | |
| O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1,-2.975431808509263 | |
| O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCNC1,-2.699837725867246 | |
| CC(C)CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCNC1,-3.380211241711606 | |
| CC(C)CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCNC1,-3.385606273598312 | |
| CC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1,-3.4871383754771865 | |
| CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1,-2.633468455579586 | |
| CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1,-3.123851640967086 | |
| CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@H]1CCNC1,-3.315970345456918 | |
| Cc1c(Cl)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,-2.7126497016272113 | |
| Cc1c(F)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1,-3.2068258760318495 | |
| CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCNC1,-3.374748346010104 | |
| CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCNC1,-3.4082399653118496 | |
| CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1,-3.404833716619938 | |
| CC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1,-3.555094448578319 | |
| CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,-3.423245873936808 | |
| Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1,-3.315970345456918 | |
| CCCOc1ccccc1CC(c1ccccc1)N1CCNCC1,-3.290034611362518 | |
| c1ccc(C(Cc2ccccc2OC2CC2)N2CCNCC2)cc1,-3.143014800254095 | |
| c1ccc(C(Cc2ccccc2OCC2CC2)N2CCNCC2)cc1,-3.146128035678238 | |
| COc1c(F)cccc1CC(c1ccccc1)N1CCNCC1,-3.833147111912785 | |
| COc1cccc(F)c1CC(c1ccccc1)N1CCNCC1,-3.374748346010104 | |
| COc1ccccc1CC(c1cccc(F)c1)N1CCNCC1,-3.6085260335771943 | |
| COc1ccccc1CC(c1ccc(F)cc1)N1CCNCC1,-3.6875289612146345 | |
| Fc1cccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)c1,-3.5390760987927767 | |
| Fc1ccc(C(Cc2ccccc2OC(F)F)N2CCNCC2)cc1,-3.24551266781415 | |
| Fc1cccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)c1,-3.690196080028514 | |
| COCCC1CNCCN1c1ccc2[nH]ncc2c1,-2.200001865406602 | |
| CCOCC1CNCCN1c1ccc2[nH]ncc2c1,-2.500003068051693 | |
| COCC1CNCCN1c1ccc2[nH]ncc2c1,-2.7000023971422538 | |
| c1cc2[nH]ncc2cc1N1CCNCC1CC1CCCCC1,-2.500003068051693 | |
| CC(C)CC1CNCCN1c1ccc2[nH]ncc2c1,-1.2000292665537704 | |
| CCCCC1CNCCN1c1ccc2[nH]ncc2c1,-1.4999618655961902 | |
| c1ccc(CCC2CNCCN2c2ccc3[nH]ncc3c2)cc1,-1.4999618655961902 | |
| c1ccc(C2CNCCN2c2ccc3[nH]ncc3c2)cc1,-2.300008202553813 | |
| c1ccc(CC2CNCCN2c2ccc3[nH]ncc3c2)cc1,-1.2000292665537704 | |
| c1ccc(CC2CNCCN2c2cnc3[nH]ccc3c2)cc1,-2.7000023971422538 | |
| Fc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,-1.2000292665537704 | |
| Clc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,-2.0 | |
| COc1cc(N2CCNCC2Cc2ccccc2)cc2cc[nH]c12,-3.1999991251967965 | |
| NC(=O)c1cc2cc(N3CCNCC3Cc3ccccc3)ccc2[nH]1,-0.4999618655961902 | |
| NC(=O)c1c[nH]c2ccc(N3CCNCC3Cc3ccccc3)cc12,-2.200001865406602 | |
| Cn1ccc2cc(N3CCNCC3Cc3ccccc3)ccc21,-2.099991233544684 | |
| Clc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl,-1.899984562549391 | |
| CNc1ccc(N2CCNCC2Cc2ccccc2)cc1,-2.60000308662774 | |
| c1ccc(CC2CNCCN2c2ccccc2)cc1,-2.7000023971422538 | |
| c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1,-0.8000293592441343 | |
| COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.1280113325759749 | |
| COC[C@@]12CN(C(C)C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-3.100001582801352 | |
| COC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.4999618655961902 | |
| C=CCC(OC)[C@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-0.1528995963937474 | |
| COC[C@@]12CN[C@@H](C)C[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.599992177584098 | |
| CC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-0.599992177584098 | |
| CC#CNC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-2.200001865406602 | |
| NC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-2.400002345927956 | |
| CCOC(=O)[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-0.7000110623221123 | |
| FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.599992177584098 | |
| COC[C@@]12CNCC[C@]1(c1ccc(C(F)(F)F)c(Cl)c1)C2,-3.1999991251967965 | |
| COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(C(F)(F)F)c1)C2,-3.5000003213429354 | |
| COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2,-2.200001865406602 | |
| COC[C@@]12CNCC[C@]1(c1ccc(OC(F)(F)F)cc1)C2,-3.899999871665804 | |
| COC[C@@]12CNCC[C@]1(c1ccc(Cl)cc1)C2,-2.400002345927956 | |
| Clc1ccc([C@@]23CCNC[C@@H]2C3)cc1Cl,-1.7000110623221123 | |
| COC[C@@H]1[C@@H]2CCNC[C@@]21c1ccc(Cl)c(Cl)c1,-2.099991233544684 | |
| Clc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl,-1.1000257301078626 | |
| COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C/C=C/CF,-0.4313637641589873 | |
| COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,-1.1020905255118367 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,-0.899984562549391 | |
| O=C(c1cc(F)c2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1,-1.0114224114884591 | |
| CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,-1.2000292665537704 | |
| CC(C)CC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,-0.8114074216578624 | |
| CCOCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,-1.899984562549391 | |
| CCCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,-0.7114275825367925 | |
| CC(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,-0.1114305517659801 | |
| CC(C)(C)CCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1,0.1471237105251132 | |
| Cc1ccc(C(=O)C2(CCC(C)(C)C)CCNC2)cc1Cl,-1.1000257301078626 | |
| CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)c2)CCNC1,-0.7114275825367925 | |
| CC(C)(C)CCC1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1,-1.0 | |
| CC(C)(C)CCC1(C(=O)c2cc(Cl)c(Cl)s2)CCNC1,-0.2999429000227671 | |
| CC(C)(C)CCC1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1,-1.0 | |
| CC(C)(C)CCC1(C(=O)c2ccc(N)c(Cl)c2)CCNC1,-0.4999618655961902 | |
| CC(C)(C)CCC1(C(=O)c2cnc(N)c(Cl)c2)CCNC1,-1.8000293592441343 | |
| CC(C)(C)CCC1(C(=O)c2ccc3[nH]ncc3c2)CCNC1,-0.899984562549391 | |
| CC(C)(C)CCC1(C(=O)c2cc3ccccc3s2)CCNC1,-0.1000257301078625 | |
| CC(C)(C)CCC1(C(=O)c2cc3ccccc3[nH]2)CCNC1,-0.4000196350651585 | |
| CC(C)(C)CCC1(C(=O)c2ccc3ccccc3n2)CCNC1,-0.599992177584098 | |
| Cc1cccc2nc(C(=O)C3(CCC(C)(C)C)CCNC3)ccc12,-0.0 | |
| CCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1,-0.4000196350651585 | |
| CCCC1(C(=O)c2cc(F)c3[nH]ccc3c2)CCCN1,-0.599992177584098 | |
| CCCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,-0.8000293592441343 | |
| CC(C)CC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,-0.4999618655961902 | |
| CC(C)OCC1(C(=O)c2ccc(N)c(Cl)c2)CCCN1,-0.4999618655961902 | |
| CCCC1(C(=O)c2ccc3[nH]ncc3c2)CCCN1,-1.1000257301078626 | |
| CC(C)CC1(C(=O)c2ccc3[nH]ncc3c2)CCCN1,-0.8000293592441343 | |
| CC(C)(C)CCC1(C(=O)c2ccc3[nH]ncc3c2)CCCN1,-0.4999618655961902 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CNC1,-2.9000009651534695 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCN1,-1.599992177584098 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCNC1,-1.8000293592441343 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNCC1,-1.0 | |
| O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCCCNC1,-2.400002345927956 | |
| CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1,-3.305351369446624 | |
| NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2,-1.0969100130080565 | |
| CCCCC1=C(c2ccc(Cl)cc2)C2CCN1CC2,-1.146128035678238 | |
| CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,-0.0791812460476248 | |
| CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,-2.004321373782642 | |
| Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,-3.226342087163631 | |
| Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1,-3.5369370227046737 | |
| COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-],-3.0461047872460387 | |
| COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1cccc(N=[N+]=[N-])c1,-3.313023110323238 | |
| COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccc(N=[N+]=[N-])cc1,-2.8182258936139557 | |
| COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-],-2.7134905430939424 | |
| COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1cccc(N=[N+]=[N-])c1,-3.439963935920905 | |
| COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1ccc(N=[N+]=[N-])cc1,-2.5599066250361124 | |
| COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1,-0.6532125137753437 | |
| COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1,-1.146128035678238 | |
| COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,-1.3117538610557542 | |
| c1ccc(Oc2ccccc2OC2CNC2)cc1,-3.3201462861110542 | |
| Fc1ccccc1Oc1ccccc1OC1CNC1,-3.3096301674258988 | |
| Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1,-3.6720978579357175 | |
| Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1,-2.494154594018443 | |
| Fc1ccccc1Oc1ccccc1OC1CCNCC1,-3.65417654187796 | |
| Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1,-3.3404441148401185 | |
| Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1,-3.307496037913213 | |
| C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1,-4.041392685158225 | |
| Cc1cnc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)o1,-0.0 | |
| Cc1cc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)no1,-0.2999429000227671 | |
| Cc1noc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,0.100015437450609 | |
| Cc1csc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-0.8000293592441343 | |
| Cc1coc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-1.8000293592441343 | |
| Cc1ncoc1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.1000257301078626 | |
| Cc1cnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,-2.099991233544684 | |
| Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-0.8000293592441343 | |
| FC(F)(F)c1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-0.2000292665537703 | |
| FC(F)(F)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-1.4000196350651586 | |
| N#Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.299942900022767 | |
| N#Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-1.4000196350651586 | |
| Cc1cc(C(F)(F)F)nn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-0.2999429000227671 | |
| Cc1cc(C(F)(F)F)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-0.1000257301078625 | |
| CC(C)(C)c1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-0.8000293592441343 | |
| Clc1ccc([C@]23CCNC[C@@]2(Cn2cccc2)C3)cc1Cl,-1.2000292665537704 | |
| N#Cc1cccn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.1000257301078626 | |
| N#Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,-1.1000257301078626 | |
| Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,-1.4999618655961902 | |
| Cc1ccc(C)n1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.299942900022767 | |
| Cc1cc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1,-0.899984562549391 | |
| Clc1ccc([C@]23CCNC[C@@]2(Cn2cncn2)C3)cc1Cl,-2.300008202553813 | |
| Cc1nc(C)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-1.4000196350651586 | |
| CC(C)c1nnnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2,-1.8000293592441343 | |
| CC(C)c1nnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1,-1.4000196350651586 | |
| Clc1ccc([C@]23CCNCC2(Cn2ccc4ccccc42)C3)cc1Cl,-1.299942900022767 | |
| Clc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl,-1.2000292665537704 | |
| Clc1ccc([C@]23CCNCC2(Cn2cc4ccccc4n2)C3)cc1Cl,-0.599992177584098 | |
| Nc1nccc(-c2c[nH]c3cccc(O)c23)n1,-3.3710678622717363 | |
| COc1cc2c(cc1OC)CN(CCCCn1cc(-c3ccc(F)cc3)c3ccccc31)CC2,-3.6989700043360183 | |
| C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,-4.073608388456207 | |
| CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,-3.244277120801843 | |
| CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,-4.179206976155488 | |
| Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,-3.238798562713917 | |
| c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,-2.287801729930226 | |
| CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,-3.3289908554494287 | |
| CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,-2.285557309007774 | |
| COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,-2.8992731873176036 | |
| CCCCCCCCCc1ccc(O)cc1,-3.1172712956557644 | |
| CCCCCCCCc1ccc(O)cc1,-3.829046336853182 | |
| CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,-3.2988530764097064 | |
| CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,-3.642167634404945 | |
| CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O,-3.127428777851599 | |
| Clc1cc(Cl)c(OCC#CI)cc1Cl,-3.194514341882467 | |
| CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,-1.8943160626844384 | |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,-2.821513528404773 | |
| CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,-3.739255803268511 | |
| Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,-2.6665179805548807 | |
| OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,-3.212453961040276 | |
| CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,-4.032094713052902 | |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,-2.6473829701146196 | |
| CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,-3.836260802858487 | |
| O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,-4.128463891064761 | |
| CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,-2.8686444383948255 | |
| CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,-2.7307822756663893 | |
| COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,-2.173186268412274 | |
| CN1CCN(C(c2ccccc2)c2ccccc2)CC1,-2.782472624166286 | |
| Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,-3.57978359661681 | |
| Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,-3.285782273779395 | |
| CCN(CC)C(=S)SSC(=S)N(CC)CC,-3.566319621524811 | |
| Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,-3.6467956887784694 | |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,-3.4888326343824003 | |
| CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,-2.089905111439398 | |
| CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,-2.929929560084588 | |
| CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,-2.7944880466591697 | |
| CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,-3.322219294733919 | |
| C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,-3.1152775913959014 | |
| CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,-3.338854746252323 | |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,-3.735279448060457 | |
| COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,-2.826722520168992 | |
| CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,-4.072837874663087 | |
| COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1,-3.6942541120252783 | |
| N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,-3.399673721481038 | |
| CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,-3.171433900943008 | |
| NC1=NC(=O)C(c2ccccc2)O1,-2.617210094557434 | |
| c1ccc2c(c1)Nc1ccccc1S2,-4.170467076385937 | |
| COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,-2.8444771757456815 | |
| CNCCC=C1c2ccccc2CCc2ccccc21,-3.1248301494138593 | |
| Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,-3.3242412879928698 | |
| Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,-4.091139153825755 | |
| CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,-1.8318697742805017 | |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,-3.13956426617585 | |
| CNCCCC12CCC(c3ccccc31)c1ccccc12,-3.3639878297484915 | |
| CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,-3.904607363815448 | |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,-3.130976691605617 | |
| CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,-1.6989700043360187 | |
| CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,-3.3153404766272883 | |
| CN(C)CCN(Cc1cccs1)c1ccccn1,-3.3404441148401185 | |
| CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,-3.1061908972634154 | |
| Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,-3.3600250891893975 | |
| CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,-4.271493102185657 | |
| Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,-2.9003671286564705 | |
| N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,-4.693832432747645 | |
| O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,-3.808481056565951 | |
| Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,-4.025674449410344 | |
| CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,-3.27600198996205 | |
| CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,-3.1649473726218416 | |
| Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,-3.137037454789513 | |
| CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,-1.41161970596323 | |
| CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,-3.3100344691359895 | |
| CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,-4.44537064882758 | |
| CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,-2.7007037171450192 | |
| CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,-3.638189640190837 | |
| CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-2.307496037913213 | |
| O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,-3.171726453653231 | |
| CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,-0.6127838567197355 | |
| CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,-0.8976270912904414 | |
| CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,-1.252853030979893 | |
| CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,-0.7481880270062005 | |
| CN1C2CCC1[C@@H](C(=O)Nc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2,-2.103803720955957 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2,-1.9148718175400503 | |
| CN1C2CCC1[C@@H](C(=O)Nc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2,-2.0253058652647704 | |
| CN1C2CCC1[C@@H](C(=O)Nc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2,-1.9380190974762104 | |
| COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C,-0.5440680443502757 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C=C(\I)C(F)(F)F,-2.0644579892269186 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C/C(I)=C/C(F)(F)F,0.0604807473813814 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C,-1.5100085129402347 | |
| CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,-2.7000023971422538 | |
| CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,-2.7000023971422538 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)C[C@@H]2CC[C@H]1N2C,-2.7000023971422538 | |
| CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1,-2.7000023971422538 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2C,-1.669967369908504 | |
| CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,-2.5299946730691416 | |
| CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,-2.7000023971422538 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c(I)c2)C[C@@H]2CC[C@H]1N2C,-2.7000023971422538 | |
| CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I,-2.570005576761788 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2,-2.0499928569201424 | |
| CCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,-2.420005284959051 | |
| CCCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,-2.7000023971422538 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c(I)c2)C[C@@H]2CC[C@H]1N2,-2.7000023971422538 | |
| CCCCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1I,-2.570005576761788 | |
| COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,-2.570005576761788 | |
| CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C/C=C/I)cc1,-2.570005576761788 | |
| C/C=C/CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,-1.180125875164054 | |
| C=C(Br)CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,-1.4800069429571503 | |
| C#CCN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2,-1.1501421618485586 | |
| COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1,-1.6200318951262973 | |
| COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1C,-1.9700212658283656 | |
| COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C/C=C/I,-2.0600175425316003 | |
| COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C/C=C/I,-1.4599952560473914 | |
| COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF,-1.4499409887733377 | |
| CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,-1.260071387985075 | |
| CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1)[C@@H](c1ccc(Cl)cc1)C2,-1.1501421618485586 | |
| CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2,-1.5399538416563967 | |
| CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2,-1.0398105541483504 | |
| COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C,-1.5199591807520685 | |
| COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCF,-1.84997191232885 | |
| COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCCF,-1.6799726942774185 | |
| COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C,-1.1300119496719043 | |
| CC(C)OC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C,-1.4899584794248346 | |
| CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]2C(=O)OCc1ccccc1,-1.6900187807886953 | |
| C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,-2.1367205671564067 | |
| c1ccc(CCN2CCCC2)cc1,-3.4363217001397333 | |
| Fc1cccc(CCN2CCCC2)c1,-3.3634239329171765 | |
| Fc1cccc(CCCN2CCCC2)c1,-3.519696767159853 | |
| O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,-3.675961549642169 | |
| CN(CC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,-0.5786392099680724 | |
| CN(CCC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,-0.4216039268698311 | |
| CN(CCOCC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C,-0.6655809910179531 | |
| CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CC[18F],-2.8444771757456815 | |
| CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCC[18F],-2.130333768495006 | |
| CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CC[18F],-1.2624510897304295 | |
| CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCC[18F],-1.429752280002408 | |
| COC(=O)[C@H](c1ccc(N=[N+]=[N-])c(I)c1)[C@H]1CCCCN1,-0.6020599913279624 | |
| COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1,-1.8864907251724816 | |
| COC(=O)[C@H](c1ccc(N)cc1)[C@H]1CCCCN1,-0.7993405494535817 | |
| COC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1,-0.9590413923210936 | |
| COC(=O)[C@H](c1ccc(N=[N+]=[N-])cc1)[C@H]1CCCCN1,-1.5440680443502757 | |
| COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,-0.255272505103306 | |
| COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,-3.5079907248196913 | |
| COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,-3.4622482153549976 | |
| CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)cc2)C1,-3.0791812460476247 | |
| C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1,-2.4668676203541096 | |
| Cc1ccc2c(c1)CN(C)C[C@H]2c1cccc(F)c1,-2.4638929889859074 | |
| Cc1ccc2c(c1)CN(C)CC2c1ccc(Cl)cc1,-1.6074550232146685 | |
| Cc1ccc2c(c1)CN(C)CC2c1cc(F)cc(F)c1,-1.8920946026904804 | |
| Cc1ccc2c(c1)CN(C)CC2c1cccc(Cl)c1,-1.5563025007672873 | |
| Cc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,-2.0253058652647704 | |
| Cc1ccc(C2CN(C)Cc3cc(C)ccc32)cc1,-1.4313637641589874 | |
| CN1Cc2cc(O)ccc2C(c2ccc(F)c(F)c2)C1,-1.806179973983887 | |
| COc1ccc2c(c1)CN(C)CC2c1ccc(C)c(F)c1,-1.3324384599156054 | |
| COc1ccc2c(c1)CN(C)CC2c1cccc(C)c1,-1.3979400086720375 | |
| COc1ccc2c(c1)CN(C)CC2c1ccc(F)c(F)c1,-1.8864907251724816 | |
| CN1Cc2cc(F)ccc2C(c2ccccc2)C1,-2.8369567370595505 | |
| Cc1ccc(C2CN(C)Cc3c(C)cccc32)cc1,-1.0253058652647702 | |
| Cc1cccc2c1CN(C)CC2c1ccc(F)c(F)c1,-1.7634279935629371 | |
| Cc1cc(C2CN(C)Cc3ccccc32)ccc1F,-1.7853298350107671 | |
| Cc1ccc(C2CN(C)Cc3ccccc32)cc1F,-1.4785664955938431 | |
| CN1Cc2ccccc2C(c2ccc(Cl)c(F)c2)C1,-1.6503075231319364 | |
| CN1Cc2ccccc2C(c2ccc(F)c(F)c2)C1,-1.994756944587628 | |
| Cc1cccc2c1C(c1ccccc1)CN(C)C2,-3.2648178230095364 | |
| COc1ccc2c(c1)C(c1ccccc1)CN(C)C2,-2.2380461031287955 | |
| Cc1ccc2c(c1)C(c1ccccc1)CN(C)C2,-2.0293837776852097 | |
| Cc1ccc2c(c1C)CN(C)CC2c1ccccc1,-2.3560258571931225 | |
| CCOc1ccc2c(c1)CN(C)CC2c1ccccc1,-2.322219294733919 | |
| COc1ccc2c(c1)CN(C)CC2c1ccccc1,-1.9138138523837167 | |
| CCc1ccc2c(c1)CN(C)CC2c1ccccc1,-2.367355921026019 | |
| Cc1ccc2c(c1)CN(C)CC2c1ccccc1,-2.0492180226701815 | |
| CN1Cc2ccccc2C(c2ccccc2)C1,-2.569373909615046 | |
| CN1Cc2c(O)cccc2C(c2ccccc2)C1,-2.110589710299249 | |
| COc1cccc2c1CN(C)CC2c1ccccc1,-2.1958996524092336 | |
| Cc1cccc2c1CN(C)CC2c1ccccc1,-2.4409090820652177 | |
| COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCF,-0.9030899869919436 | |
| c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1,-2.571708831808688 | |
| c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,-1.380211241711606 | |
| COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,-3.502427119984433 | |
| COc1ccc(F)cc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1,-3.6994040818153375 | |
| COCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,-0.9542425094393248 | |
| OCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,-1.568201724066995 | |
| Clc1ccc(C2CCCCNC2)cc1Cl,-1.041392685158225 | |
| CN1CCCCC(c2ccc(Cl)c(Cl)c2)C1,-0.9030899869919436 | |
| C1=CCC(c2cc3ccccc3o2)CNC1,-1.3617278360175928 | |
| CN1CC=CCC(c2cc3ccccc3o2)C1,-1.7781512503836436 | |
| Clc1cccc(C2CC=CCNC2)c1,-2.380211241711606 | |
| Clc1ccc(C2CC=CCNC2)cc1,-1.3979400086720375 | |
| Fc1ccc(C2CC=CCNC2)cc1Cl,-1.8325089127062364 | |
| Cc1cc(C2CC=CCNC2)ccc1Cl,-1.380211241711606 | |
| Cc1cc(C2CC=CCN(C)C2)ccc1Cl,-1.3617278360175928 | |
| Cc1ccc(C2CC=CCNC2)cc1Cl,-1.6901960800285136 | |
| C1=CCC(c2ccc3ccccc3c2)CNC1,-1.0 | |
| CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCC(=O)Nc4cccc(-c5ccc6c(c5)COC6(CCCN(C)C)c5ccc(F)cc5)c4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,-4.037426497940624 | |
| CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCN4[C@@H]5CC[C@@H]4[C@@H](C(=O)OC)[C@@H](c4ccc(Cl)c(Cl)c4)C5)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,-1.792391689498254 | |
| Clc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(-c2ccccn2)c1,-2.0 | |
| Cc1cc(Cl)cc(-c2ccccn2)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,-2.0 | |
| Fc1cc(Cl)cc(Cl)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,-0.899984562549391 | |
| Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1F,-2.099991233544684 | |
| Cc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,-1.599992177584098 | |
| COc1cc([N+](=O)[O-])ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,-3.4000006169763797 | |
| Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1,-2.0 | |
| Fc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1,-1.4999618655961902 | |
| Fc1cc(F)cc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1,-2.0 | |
| Fc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CCNC1,-1.8000293592441343 | |
| Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(F)c1,-2.200001865406602 | |
| Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1,-1.599992177584098 | |
| Fc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1,-2.099991233544684 | |
| CC(N)Cc1c[nH]c2ccccc12,-2.823474229170301 | |
| CNC(C)Cc1ccc2c(c1)OCO2,-2.952792443044092 | |
| CC(N)Cc1ccc2c(c1)OCO2,-3.3847117429382823 | |
| C[C@H](N)Cc1ccccc1,-2.037426497940624 | |
| CN(C)CCC=C1c2ccccc2CCc2ccccc21,-3.7926017811649664 | |
| O=C(Oc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21,-3.591064607026499 | |
| O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,-2.9867717342662448 | |
| CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,-3.778151250383644 | |
| O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,-3.8195439355418688 | |
| O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21,-3.5185139398778875 | |
| O=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccccc21,-1.9637878273455551 | |
| CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,-3.6554265877459184 | |
| c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,-3.5415792439465807 | |
| c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1,-3.3044905277734875 | |
| c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1,-3.1925674533365456 | |
| CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21,-3.111598524880394 | |
| C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,-2.100370545117563 | |
| O=C(OCCF)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,-0.1238516409670858 | |
| O=C(O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,-1.568084331315394 | |
| CCNC(C)C(=O)c1ccccc1,-3.0060379549973173 | |
| Cc1cc2cc(CCC(=O)O)c(O)c(O)c2c(=O)o1,-2.745855195173729 | |
| CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1,-2.462397997898956 | |
| OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,-2.6963563887333324 | |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1ccc(F)cc1,-2.890979596989689 | |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCOc1ccc(F)cc1,-2.792391689498254 | |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,-3.03382569395331 | |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,-2.45484486000851 | |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,-2.5490032620257876 | |
| CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3o2)C1,-1.615950051656401 | |
| Cc1ccc(C2CN(C)Cc3ccccc32)s1,-3.3521825181113627 | |
| Cc1ccc(C2CN(C)Cc3ccccc32)o1,-3.751279103983342 | |
| CN1Cc2ccccc2C(c2ccc3cc[nH]c3c2)C1,-1.2966651902615312 | |
| CN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1,-1.4683473304121573 | |
| CN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1,-2.4771212547196626 | |
| CN1Cc2ccccc2C(c2ccc3sncc3c2)C1,-1.899820502427096 | |
| COc1ccc(C2CN(C)Cc3ccccc32)cn1,-3.445136968713304 | |
| CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1,-1.7275412570285564 | |
| CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3s2)C1,-1.549003262025788 | |
| CN1Cc2ccccc2C(c2ccc3sccc3c2)C1,-0.5797835966168101 | |
| CCN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1,-2.0211892990699383 | |
| CCOc1ccc(C2(C(CC(C)C)NCCOC(=O)CC)CCC2)cc1,-1.9052560487484511 | |
| CN1Cc2ccccc2C(c2ccc3occc3c2)C1,-0.6532125137753437 | |
| CN1Cc2ccccc2C(c2cccs2)C1,-3.777426822389311 | |
| CCCC(=O)NCCNC(CC(C)C)C1(c2ccc(OCC)cc2)CCC1,-2.400365273349939 | |
| CN1Cc2ccccc2C(c2ccc3[nH]ccc3c2)C1,-0.5797835966168101 | |
| CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3sccc3c2)C1,-0.9294189257142929 | |
| CN(C)Cc1ccc2c(c1)CN(C)CC2c1ccc2sccc2c1,-0.6434526764861874 | |
| CCOC(=O)NCCNC(CC(C)C)C1(c2ccc(OCC)cc2)CCC1,-2.2000292665537704 | |
| CCOC(=O)NCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-1.5843312243675307 | |
| CN1Cc2ccccc2C(c2ccc3ccoc3c2)C1,-0.8750612633917001 | |
| CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3ccccc3s2)C1,-2.075546961392531 | |
| CN1Cc2ccccc2C(c2cccc3ccoc23)C1,-0.6532125137753437 | |
| CN1Cc2ccccc2C(c2cc3ccccc3o2)C1,-1.130333768495006 | |
| CCCC(=O)NCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-1.7218106152125463 | |
| CCC(=O)OCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.8573324964312685 | |
| COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,-2.6972293427597176 | |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,-3.4000006169763797 | |
| C=CCN(CC=C)CCc1c[nH]c2ccccc12,-3.100001582801352 | |
| C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,-3.5000003213429354 | |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,-2.9000009651534695 | |
| C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,-3.2999994961169836 | |
| OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,-3.681241237375587 | |
| OC(Cc1ccccc1)CN1CCN(CC[S+](O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-0.9661417327390326 | |
| CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23,-3.338854746252323 | |
| CN1Cc2ccccc2C(c2cccc3sccc23)C1,-0.6532125137753437 | |
| Cc1cccc2c1C(c1ccc3ccccc3c1)CN(C)C2,-1.59659709562646 | |
| CN1Cc2cc(-c3cnccn3)ccc2C(c2cc3ccccc3s2)C1,-1.5185139398778875 | |
| CN1Cc2cc(N3CCOCC3)ccc2C(c2cc3ccccc3s2)C1,-2.4533183400470375 | |
| CN1Cc2cc(N3CCCCC3)ccc2C(c2cc3ccccc3s2)C1,-2.6627578316815743 | |
| CN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1Cl,-1.0606978403536118 | |
| CN1Cc2ccccc2C(c2ccc3cnsc3c2)C1,-1.5622928644564746 | |
| CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccccc3c2)C1,-1.7759743311293692 | |
| CC1NOC(C)C1c1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1,-2.0170333392987803 | |
| CN1Cc2cc(-c3cncnc3)ccc2C(c2cc3ccccc3s2)C1,-1.591064607026499 | |
| CCOCCCCNC(CC(C)C)C1(c2ccc(SC)cc2)CCC1,-1.9638822289287776 | |
| CCOCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.3765769570565119 | |
| CCCOCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.7363965022766424 | |
| COCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.3783979009481377 | |
| CCOCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.0644579892269184 | |
| CCSCCCCNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1,-1.8296896408989711 | |
| CCOc1ccc(C2(C(CC(C)C)NCCSCC)CCC2)cc1,-2.0633333589517497 | |
| CCSCCCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-1.3789426986134374 | |
| CCCCSCCCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-2.0178677189635055 | |
| CCSCCNC(CC)C1(c2ccc(Cl)c(Cl)c2)CCC1,-1.6918768225593313 | |
| CCS(=O)(=O)CCCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1,-1.4690852991231205 | |
| CCC(NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)O,-1.655138434811382 | |
| CCC(NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)OCC(C)C,-2.4683473304121573 | |
| CC(C)CC(NCCCC(N)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1,-0.1760912590556812 | |
| COC(=O)[C@H]1[C@@H](c2ccc([125I])cc2)CC2CC[C@H]1N2C,-1.041392685158225 | |
| Cc1ccc(C2CC3CCC(C2c2cc(-c4ccc(Cl)cc4)no2)N3C)cc1,-1.263636068588108 | |
| Cc1ccc(-c2cc(C3C(c4ccc(Cl)cc4)CC4CCC3N4C)on2)cc1,-1.4065401804339552 | |
| Fc1ccc(C(OC2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1,-2.403120521175818 | |
| COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1,-3.3350565194390915 | |
| COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1,-3.191730393362856 | |
| CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1,-3.471144965160633 | |
| N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1ccnc(CNCCC2CCNCC2)c1,-3.326335860928751 | |
| NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1,-3.0293837776852097 | |
| CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccccc1,-3.2068258760318495 | |
| CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(F)cc1,-3.6201360549737576 | |
| CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1ccc(C)cc1,-3.863322860120456 | |
| CN1Cc2c(N)cccc2C(c2ccc(Cl)c(Cl)c2)C1,-1.0374264979406236 | |
| Clc1ccc([C@@H]2CCNC[C@@]23CCOC3)cc1Cl,-1.599992177584098 | |
| Clc1ccc(C2CCNCC23CCOCC3)cc1Cl,-1.3301431005564446 | |
| Clc1ccc(C2CCNCC23COC3)cc1Cl,-2.200001865406602 | |
| Clc1ccc([C@@H]2CCN[C@@H]3CCOC[C@@H]32)cc1Cl,-1.599992177584098 | |
| CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1,-1.7160033436347992 | |
| CN(C)C[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCCC1,-1.7242758696007892 | |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.0759117614827773 | |
| 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,-2.7234556720351857 | |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1,-2.08278537031645 | |
| COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1,-2.7937903846908188 | |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.2340108175871793 | |
| CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N,-3.6999997975545824 | |
| CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N,-3.5000003213429354 | |
| CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NCC(O)CO)C1,-3.255272505103306 | |
| OC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](O)[C@@H]1O,-3.250420002308894 | |
| OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O,-3.6766936096248664 | |
| NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1,-3.82020145948564 | |
| Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12,-3.9190780923760737 | |
| FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12,-3.9590413923210934 | |
| FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12,-3.653212513775343 | |
| CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,-2.311753861055754 | |
| CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O,-3.4085791254086675 | |
| C[C@H]1CN(CC[S+](O)C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1,-0.8730298120610442 | |