| SMILES,Ki |
| CC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,-4.02612451674545 |
| Cc1ccc(C(c2ccc(C)cc2)N2CC[C@H]2[C@H](N)c2cccc(Cl)c2)cc1,-2.9036325160842376 |
| COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1,-2.9370161074648142 |
| N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1,-3.3376588910261424 |
| N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1,-3.854852362417834 |
| N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,-2.767897616018091 |
| N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1,-2.7126497016272113 |
| Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1,-2.6884198220027105 |
| CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1,-3.9852467908028615 |
| N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1,-3.635182048656268 |
| Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F,-2.1818435879447726 |
| N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,-3.627877694579971 |
| N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,-3.538070787043172 |
| N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1,-3.398287305357401 |
| N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,-3.218535505216528 |
| N[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,-3.7324741772811936 |
| N[C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1,-3.24699069924155 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3c2cccn2C)c2ccccc2)cc1,-1.7708520116421442 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,-1.549003262025788 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-3.439332693830263 |
| O=C1[C@@H](Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.146128035678238 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-4.190331698170292 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(O)c2)cc1,-0.4014005407815441 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(OC)cc2)cc1,-1.129689892199301 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(OC)c2)cc1,-1.7614767795447015 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O,-4.290034611362518 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(OC)cc2)cc1,-2.0863598306747484 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2[nH]cnc2C)c2ccccc2)cc1,-1.7853298350107671 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCO)c2ccccc2)cc1,-1.8808135922807911 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-4.17897694729317 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)O,-1.0755469613925308 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1,0.1611509092627447 |
| O=C(NC1CC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-0.0043213737826425 |
| O=C(NC1CCCCC1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.8555191556678 |
| C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(OC)c1)C2,-1.1398790864012365 |
| O=C(Nc1ccccc1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-3.627570664180543 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2c[nH]cn2)c2ccccc2)cc1,-2.004321373782642 |
| Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O,0.3467874862246563 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,0.1844222516757327 |
| Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1,0.7958800173440752 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,-1.9242792860618816 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,-2.423245873936808 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O,-3.220108088040055 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2cccc(O)c2)cc1,-1.1755118133634477 |
| COCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.2121876044039577 |
| CNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,0.8538719643217619 |
| O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)CC12Cc1ccccc1C2,-0.1658376246901282 |
| O=C(Nc1nccs1)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-1.7242758696007892 |
| O=C(NCCF)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-0.4756711883244297 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,-0.6812412373755872 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,-1.968482948553935 |
| Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.1057939446506362 |
| NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-1.5976951859255124 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O,-4.1003705451175625 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(O)c2)cc1,0.1778319206319824 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-4.209515014542631 |
| Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)Oc1ccccc1O4,-0.7160033436347992 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O,-3.780317312140151 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccn2)c2ccccc2)cc1,-1.230448921378274 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2cccc(OC)c2)cc1,-1.9822712330395684 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(O)c2)cc1,0.6536470255493614 |
| CCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-0.2041199826559248 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1,-0.9405164849325672 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(N)=O,-3.792391689498254 |
| Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1,0.619788758288394 |
| CC(C)(C)NC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.783903579272735 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-0.8202014594856402 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O,-0.9030899869919436 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CC=C(C)C)c2cccc(OC)c2)cc1,-0.3096301674258988 |
| C=CCN1C2CCC1CC(=C(c1ccc(C(=O)NCC)cc1)c1cccc(O)c1)C2,-0.9813655090785444 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2ccc(O)cc2)cc1,-0.8305886686851442 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(O)cc2)cc1,-1.3364597338485296 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccc(OC)cc2)cc1,-0.785329835010767 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O,-3.369215857410143 |
| CCCCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-1.3364597338485296 |
| CCNC(=O)c1ccc(/C(=C2\C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1,-1.873494982256169 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,-1.376576957056512 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,-1.608526033577194 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O,-3.4913616938342726 |
| CCNC(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2cccs2)c2cccc(OC)c2)cc1,-0.5786392099680724 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,-1.57978359661681 |
| Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1,0.3565473235138126 |
| CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.361160995195026 |
| CCCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-2.3407612917626723 |
| CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-0.6812412373755872 |
| CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1,-2.9818186071706636 |
| CCN1C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)[C@@H]2CCCC[C@H]21,-2.298853076409707 |
| CCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.4207806195485655 |
| CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.499549625905149 |
| CCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.6105537053170946 |
| CCC/N=C(\N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.129689892199301 |
| CCN1C(=O)N(C2CCN(C3CCC4CCCCC4C3)CC2)[C@@H]2CCCC[C@H]21,-2.4456042032735974 |
| CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21,-2.8549130223078554 |
| CC(C)CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.675778341674085 |
| CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.132899769944483 |
| O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1,-2.3180633349627615 |
| O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,-1.4313637641589874 |
| CCCCCCC/N=C(\N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.752969865029084 |
| O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.568788212315347 |
| O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1,-3.14674801363064 |
| CC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.3486941902655412 |
| CCCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.791760804012905 |
| O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.3716219271760213 |
| O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1,-3.029789470831856 |
| CCN1C(=O)N(C2CCN(C(C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21,-2.59659709562646 |
| O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1,-3.092369699629121 |
| CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.4909412053567868 |
| CCCCC/N=C(\N)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.4029488293444048 |
| CCCC1CCC(N2CCC(N3C(=O)N(CC)[C@@H]4CCCC[C@H]43)CC2)CC1,-3.3354579006893843 |
| CCN1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)[C@@H]2CCCC[C@H]21,-2.4265112613645754 |
| COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)C3Cc5ccc(O)c6c5[C@@]2(CCN3CC2CC2)[C@H]4O6)cc1,-0.6665179805548809 |
| O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.642958879409791 |
| CC(C)CCC(C)N1CCC(N2C(=O)N[C@@H]3CCCC[C@H]32)CC1,-2.629409599102719 |
| CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1,-2.6384892569546374 |
| CCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.5756496147552193 |
| CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21,-2.9585638832219674 |
| CCN1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)[C@@H]2CCCC[C@H]21,-2.6242820958356683 |
| CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@H]2O5,0.2218487496163563 |
| CCN1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21,-2.651278013998144 |
| N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-0.7551122663950712 |
| CCCN/C(=N\CC1CC1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.351022852584124 |
| N/C(=N/Cc1cccc(O)c1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.15106325335375 |
| N/C(=N/Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.4196253608877432 |
| CCCC/N=C(\NCCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.2617385473525378 |
| N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.5670263661590604 |
| N/C(=N\CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(N)cc1,-0.890979596989689 |
| N/C(=N\CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc([N+](=O)[O-])cc1,-0.964259630196849 |
| Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(N/C(=N/CC6CC6)NCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.248708735600918 |
| N/C(=N/Cc1ccc(O)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.1664301138432829 |
| N/C(=N/Cc1ccc(N)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-0.8970770032094203 |
| N/C(=N\CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccc(Cl)cc1,-0.8887409606828927 |
| CCCC/N=C(\NCCCC)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-0.8970770032094203 |
| N/C(=N/Cc1ccccc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.0199466816788425 |
| CCC/N=C(\NCCC)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-0.9925535178321356 |
| N/C(=N\CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)NCc1ccccc1,-0.5490032620257879 |
| N/C(=N/Cc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5,-1.4739246934161574 |
| CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,0.5376020021010439 |
| CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O,-1.1335389083702174 |
| CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-3.2405492482825995 |
| NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-2.1760912590556813 |
| NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O,-3.8750612633917 |
| NCCCC[C@H](C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)C(=O)O,-3.0 |
| CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC,-3.591064607026499 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-0.0492180226701816 |
| CN(C(=O)Cc1cccc2[nH]ccc12)[C@@H]1CCCC[C@H]1N1CCCC1,-2.9206450014067875 |
| CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC,-3.707570176097936 |
| Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1,-2.3010299956639813 |
| CN1CCC23c4c5ccc(O)c4OC2c2nc(N)ncc2CC3(O)C1C5,-0.8645110810583918 |
| CN1CCC23c4c5ccc(O)c4OC2c2nc(-c4ccccc4)ncc2CC3(O)C1C5,-0.8656960599160706 |
| CN1CC[C@]23c4c5cc6sc(N)nc6c4OC2[C@@H](O)CCC3[C@H]1C5,-1.4771212547196624 |
| CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1,-3.6020599913279625 |
| O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3,-0.5185139398778874 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc13,-0.041392685158225 |
| Cc1ncc2c(n1)C1Oc3c(O)ccc4c3C13CCN(C)C(C4)C3(O)C2,-0.7209857441537391 |
| CN1CCC23c4c5ccc(O)c4OC2c2n[nH]cc2CC3(O)C1C5,-0.2355284469075489 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,0.6777807052660807 |
| Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,1.207608310501746 |
| Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,-0.8512583487190752 |
| CN1CCC23c4c5ccc(O)c4OC2c2nc(O)ncc2CC3(O)C1C5,-0.5740312677277188 |
| Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.638272163982407 |
| CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1,-2.0105119627372137 |
| CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,-3.4313637641589874 |
| CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[C@@H]1C(C)(C)C,-2.5658478186735176 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5,-0.6910814921229684 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)Cc2ccccc2)C1C5,-1.4668676203541096 |
| CCCCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,-1.5705429398818975 |
| CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,-1.8825245379548805 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCCc2ccccc2)C1C5,-1.0086001717619175 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(N)C1C5,-3.021602716028242 |
| CCCCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,-1.5237464668115646 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NCCc2ccccc2)C1C5,-0.2253092817258628 |
| CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1,-0.2041199826559248 |
| O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.1828564630208752 |
| CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O,-2.7024305364455254 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(NC(=O)CCc2ccccc2)C1C5,-0.9827233876685452 |
| CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,-1.7084209001347128 |
| O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1C=O,0.3467874862246563 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.6798819421128623 |
| O=C(/C=C/c1ccc(Cl)cc1)NC12CCC(=O)C3Oc4cccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,0.2676062401770315 |
| O=C(/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.4749443354653879 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CC(=O)c2ccccc2)c2ccccc2)cc1,-3.984212166761434 |
| CC1CCCC(C)N1C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.756636108245848 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(OC)c2)cc1,-2.8407332346118066 |
| COCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.4683473304121573 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1,-2.7993405494535817 |
| C=CCN1CCC(N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1,-4.063145637106638 |
| C=CCN1[C@H]2CC[C@@H]1CC(N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,-3.562292864456474 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCC2CCCCC2)c2ccccc2)cc1,-2.6541765418779604 |
| CCCN(CCC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.808885867359812 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2ccccc2)cc1,-1.3502480183341627 |
| CCN(CCO)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.4638929889859074 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1,-2.8615344108590377 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2c[nH]c3ccccc23)c2ccccc2)cc1,-2.5276299008713385 |
| O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCCC1,-2.4409090820652177 |
| CC(C)N(C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)C(C)C,-2.012837224705172 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2cccc(OC)c2)cc1,-2.6201360549737576 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(O)cc2)cc1,-2.287801729930226 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2cccs2)c2ccccc2)cc1,-3.1075491297446862 |
| O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCOCC1,-2.374748346010104 |
| CCCN1C2CCC1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2,-2.460897842756548 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(OC)cc2)cc1,-3.175801632848279 |
| CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@@H]3CC[C@H](C2)N3)cc1,-3.7024305364455254 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1,-2.645422269349092 |
| C=C(C)CN(CC)C(=O)c1ccc(/C(=C2/C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,-2.359835482339888 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(F)cc2)c2ccccc2)cc1,-2.5943925503754266 |
| CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1,-2.0170333392987803 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-3.755874855672491 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-1.8260748027008264 |
| COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C\c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,-0.7993405494535817 |
| COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2,0.3665315444204134 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-2.519827993775719 |
| CC(C)=CC[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5,-2.404833716619938 |
| CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O,-2.530199698203082 |
| CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O,-3.555094448578319 |
| C/C=C1\C[C@@]23Cc4c([nH]c5ccccc45)[C@@H]1[C@@]21CCN(C)C3Cc2ccc(OC)c(O)c21,-2.0863598306747484 |
| C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2oc4ccccc4c2C[C@@]3(O)C1C5,-3.113943352306837 |
| COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C(/C)c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2,-1.1271047983648077 |
| C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)C1C5,-3.3010299956639813 |
| C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2n[nH]cc2C[C@@]3(O)C1C5,-2.146128035678238 |
| COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C(\C)c1ccccc1)C2,-0.6570558528571039 |
| C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5,-3.8976270912904414 |
| C=C(C)CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)C1C5,-3.653212513775343 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(C/C=C/c2ccccc2)C1C5,-1.6414741105040995 |
| COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12CC(=C(C)C)[C@@H]3c1[nH]c3ccccc3c1C2,-2.5185139398778875 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,-2.093421685162235 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1,-1.2787536009528289 |
| OC1(c2cccc(C(F)(F)F)c2)CCN(C2CCC3CCCCC3C2)CC1,-1.3222192947339193 |
| CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-2.9633155113861114 |
| O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)c1cccc(C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,-0.5185139398778874 |
| CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,-1.5563025007672873 |
| C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,-2.2355284469075487 |
| CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-1.1986570869544226 |
| O=C(CCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.255272505103306 |
| OC1(c2ccc(Cl)cc2)CCN(CC2CCCCCCC2)CC1,-2.7965743332104296 |
| CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1,-2.290034611362518 |
| O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.6989700043360187 |
| CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1,-0.9030899869919436 |
| C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,-3.12057393120585 |
| Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCCN1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3,-1.6812412373755872 |
| O=C(CCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.0506099933550872 |
| OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,-0.0 |
| c1cc2c(cc1OCCCCCCCCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.8195439355418688 |
| O=C(CCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.5185139398778874 |
| OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1,-2.05307844348342 |
| CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1,-2.3541084391474008 |
| O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,0.8538719643217619 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,-0.6020599913279624 |
| COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.638272163982407 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,0.0315170514460648 |
| Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCCCCCN1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3,-1.7160033436347992 |
| CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-3.225309281725863 |
| CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-2.0791812460476247 |
| O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)c1ccc(C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.6720978579357175 |
| CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-3.269512944217916 |
| C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1,-3.250420002308894 |
| CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-1.9938769149412112 |
| O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)[C@H]1C[C@H]1C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.5528419686577808 |
| c1cc2c(cc1OCCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.462397997898956 |
| CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,-1.3424226808222062 |
| O=C(CCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.0132282657337551 |
| CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1,-2.307496037913213 |
| CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1,-1.662757831681574 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccccc2CN1,-1.5198279937757189 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,-0.7393085761565886 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC[C@H]1Cc2ccc(O)cc2CN1,-0.5797835966168101 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C,-1.1205739312058498 |
| C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,-0.2671717284030138 |
| C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1,-1.9030899869919435 |
| CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1,-2.785329835010767 |
| CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-0.7558748556724915 |
| CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-2.1335389083702174 |
| CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O,-3.716003343634799 |
| CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-1.3979400086720375 |
| CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-1.3010299956639813 |
| C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.505149978319906 |
| C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.6720978579357175 |
| Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1,-1.1139433523068367 |
| C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1,-2.1760912590556813 |
| C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.9867717342662448 |
| COc1cccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)c1,-1.1760912590556811 |
| C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1,-1.041392685158225 |
| C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.724275869600789 |
| C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.919078092376074 |
| COC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,-2.929418925714293 |
| C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.7923916894982539 |
| C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-1.8388490907372552 |
| CNC(=O)c1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,-1.8512583487190752 |
| C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.4913616938342727 |
| C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-1.7242758696007892 |
| C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(C(=O)N(C)C)c1,-3.0791812460476247 |
| C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-1.2041199826559248 |
| COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)c(OC)c1,-0.9444826721501688 |
| CSc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,-0.2304489213782739 |
| C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-0.9030899869919436 |
| CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)CC(C)(C)C,0.3010299956639812 |
| C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1,-1.462397997898956 |
| CC(CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)c1ccccc1,-0.6989700043360189 |
| CC(=O)Nc1cccc([C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C)c1,-1.8325089127062364 |
| COc1ccc(CN2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1,-0.7403626894942439 |
| Cc1cc(O)cc(C)c1C[C@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,-2.2833012287035497 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2C)[C@H]4O5,-1.6201360549737576 |
| CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.7022394889008661 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,0.3080348972326396 |
| CC1(C)c2cc(O)ccc2C[C@@H](S(C)(=O)=O)[C@H]1N,-3.0610753236297916 |
| C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)C2N,0.1023729087095585 |
| CC1(C)c2cc(O)ccc2C[C@@H](S)[C@H]1N,-2.2121876044039577 |
| CC1(C)c2cc(O)ccc2C[C@@H](O)[C@H]1N,-2.3096301674258988 |
| CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C,1.6989700043360187 |
| CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1,1.0506099933550872 |
| O=C(Cc1cccc2occc12)NCC12CCCN1CCC2,-3.525044807036845 |
| O=C1NCN(c2ccccc2F)C12CCN(C1Cc3cccc4cccc1c34)CC2,-2.60000308662774 |
| O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-0.899984562549391 |
| CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C,0.8538719643217619 |
| Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-1.2253092817258628 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2,-0.9493900066449128 |
| Cc1c(-c2ccccc2)c2c(n1Cc1ccccc1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,-1.7218106152125463 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2,-1.0374264979406236 |
| O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-1.4999618655961902 |
| Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1,-1.7000110623221123 |
| Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)C4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,-1.8915374576725643 |
| CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,-3.4073909044707316 |
| O=C1NCN(c2cccc(Cl)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-1.299942900022767 |
| O=C1NCN(c2cccc(Br)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-1.1000257301078626 |
| Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1,-1.5010592622177514 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,-1.2201080880400552 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2,-1.1789769472931697 |
| Cc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,-1.0 |
| O=C1NCN(c2cccc(F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-0.599992177584098 |
| Oc1ccc2c3c1O[C@H]1c4[nH]cc(-c5ccccc5)c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-1.3222192947339193 |
| CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,-0.414973347970818 |
| O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2,-1.414973347970818 |
| Cc1cc(C)cc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,-1.299942900022767 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2,-1.0492180226701815 |
| C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O,-0.7708520116421442 |
| CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,-1.6031443726201824 |
| COc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1,-1.599992177584098 |
| COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O,-0.8750612633917001 |
| O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2,-1.2833012287035497 |
| N=C(N)NCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,-1.9294189257142929 |
| O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c23)C2Oc3c(O)ccc5c3[C@@]23CCN(CC2CC2)[C@H](C5)[C@]3(O)C4)cc1C=O,-1.173186268412274 |
| O=C1NCN(c2ccc(F)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2,-1.4000196350651586 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCc3cc(Cl)ccc3C1)CC2,-1.8864907251724816 |
| CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O,-2.9206450014067875 |
| O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1,-1.7853298350107671 |
| O=C1N(CCO)CN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2,-0.5185139398778874 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,-1.6946051989335686 |
| CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1,-2.8600024219010978 |
| O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,-1.4756711883244296 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1,-2.8199977335107764 |
| CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,-2.322219294733919 |
| CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.0099286967560166 |
| CC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2,-1.4440447959180762 |
| O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1,-1.564666064252089 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(Cc4ccccc4)C[C@@H]2CN3c2ccccc2)CC1,-2.1899953399643186 |
| CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1,-1.3053513694466237 |
| CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,0.494850021680094 |
| CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1,-1.9400181550076632 |
| O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1,-0.4313637641589873 |
| O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1,-1.5899496013257075 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(c4ccccc4)C[C@@H]2CN3c2ccccc2)CC1,-2.1300119496719043 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1,-2.7000023971422538 |
| O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1,-1.1583624920952498 |
| O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1,-1.9595183769729985 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1,-2.250005028486896 |
| CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)[C@@H]2O5,0.2291479883578558 |
| CO[C@]12C=CC3(CC14CCC[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,0.585026652029182 |
| CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1,-2.2399997928868713 |
| CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1,-2.620000642300068 |
| O=C1Cc2ccccc2N1C1CCN(C(C2CCCCC2)C2CCCCC2)CC1,-2.3560258571931225 |
| CCCCN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1,-2.4399954739538083 |
| O=C1Cc2ccccc2N1C1CCN(C2CCCc3ccccc32)CC1,-1.3263358609287514 |
| CO[C@]12C=CC3(CC14CCC(C)(C)[C@H]4O)C1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5,0.3010299956639812 |
| CCC(=O)N(CCCN=C(N)N)C1CCN(CCc2ccccc2)CC1,-1.3617278360175928 |
| CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,-0.0170333392987803 |
| CCC(=O)N(CCCCCCCCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,-2.678518379040114 |
| CCC(=O)N(CCNC(=N)N)C1CCN(CCc2ccccc2)CC1,-2.6364878963533656 |
| CC(=O)Nc1ccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,-1.0128372247051722 |
| CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1,-1.9319661147281728 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccc(O)cc1)Nc1ccccc1,-0.7781512503836436 |
| CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1C(=O)Nc1ccccc1,-2.59659709562646 |
| N#Cc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,-1.5276299008713388 |
| COc1cccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O,-0.8325089127062363 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccoc1)Nc1ccccc1,-1.3560258571931227 |
| COc1cccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC,-0.4313637641589873 |
| CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1,-1.3654879848908996 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1O)Nc1ccccc1,-1.0681858617461617 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1,-1.582063362911709 |
| COc1ccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1O,-1.2479732663618066 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1F)Nc1ccccc1,-1.6074550232146685 |
| COc1cccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1,-1.5352941200427703 |
| COc1ccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1,-1.3579348470004535 |
| CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1,-2.593286067020457 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1,-1.4927603890268375 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1,-1.380211241711606 |
| Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(=O)O,-2.975431808509263 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1,-1.797959643737196 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1cccc(F)c1)Nc1ccccc1,-1.7481880270062005 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1cccc(O)c1)Nc1ccccc1,-0.7160033436347992 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccc(O)c(O)c1)Nc1ccccc1,-1.3304137733491908 |
| N#Cc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,-1.1702617153949575 |
| O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccn1)Nc1ccccc1,-1.4927603890268375 |
| CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C,-2.2380461031287955 |
| COc1ccccc1CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,-0.9444826721501688 |
| CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1C(C)(C)C,-2.1367205671564067 |
| N#Cc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1,-1.7024305364455252 |
| O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccc(F)cc1)Nc1ccccc1,-1.4183012913197457 |
| COc1cc(O)ccc1CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1,-0.041392685158225 |
| NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-3.290034611362518 |
| NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-3.515873843711679 |
| NC(=O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,-3.505149978319906 |
| NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5,-1.3710678622717365 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C2(Cc4ccccc4C2)C[C@@]3(O)[C@H]1C5,-1.155336037465062 |
| NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-3.653212513775343 |
| COC1[C@H](SC2OC(C(=O)O)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,-0.9395192526186184 |
| COC1[C@H](SC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,-0.7323937598229685 |
| COC1[C@H](NC(=O)CC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,-0.5440680443502757 |
| COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C,0.3010299956639812 |
| Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1,-1.7634279935629371 |
| Cc1ccc(Cl)c(OCCCN2CCC(n3c(O)nc4ccccc43)CC2)c1,-2.6127838567197355 |
| CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1cc(F)ccc1Cl,-1.7481880270062005 |
| Cc1cc(F)ccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-1.57978359661681 |
| Cc1cc(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)ccc1F,-2.012837224705172 |
| Cc1ccc(Cl)c(OC(C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1,-2.0718820073061255 |
| CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1,-1.6532125137753435 |
| CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1,-1.4313637641589874 |
| Cc1ccc(Cl)c(OC(C(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1,-1.944482672150169 |
| Cc1ccc(Cl)c(OC(C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)C2CCCCC2)c1,-2.012837224705172 |
| Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1,-2.220108088040055 |
| Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1,-2.550228353055094 |
| Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)n3ccnc3)CCCCC2)c1,-2.678518379040114 |
| Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)N(C)C)CCCCC2)c1,-2.0086001717619175 |
| Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)c2ccccc2)c1,-1.2227164711475833 |
| Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1,-1.813580988568192 |
| Cc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-1.3222192947339193 |
| CCc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-1.3617278360175928 |
| CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1ccccc1C(F)(F)F,-1.380211241711606 |
| CC(C)c1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-1.3010299956639813 |
| Cc1ccc(F)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1,-1.8260748027008264 |
| Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1,-1.792391689498254 |
| Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-2.292256071356476 |
| Cc1ccc(N)cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C,-1.6720978579357175 |
| Cc1ccc(C)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1,-1.8129133566428557 |
| COc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1,-1.7634279935629371 |
| O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1,-2.4683473304121573 |
| O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,-3.743901550485179 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1,-2.8739015978644615 |
| CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,-1.57978359661681 |
| COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,-2.2600713879850747 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1,-2.460897842756548 |
| O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,-1.1139433523068367 |
| O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1,-2.8195439355418688 |
| O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1,-1.9623693356700211 |
| CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1,-2.27415784926368 |
| CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1,-1.863322860120456 |
| O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,-3.1386184338994925 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1,-1.9637878273455551 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1,-1.3979400086720375 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1,-1.9344984512435677 |
| CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1,-2.0253058652647704 |
| O=C1C(c2ccc(Cl)c(Cl)c2)CC=CCN1C(CN1CCCC1)c1ccccc1,-3.0 |
| CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,0.7958800173440752 |
| CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,0.2533658010624212 |
| CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,0.958607314841775 |
| COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,0.958607314841775 |
| COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,0.638272163982407 |
| COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,0.5228787452803376 |
| O=C(O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,-2.519827993775719 |
| O=C(O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,-3.1646502159342966 |
| O=C(O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1,-2.6893088591236203 |
| [O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2cccc(C(F)(F)F)c2)CC1,-3.909983694939844 |
| OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1,-1.568201724066995 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1,-0.3979400086720376 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1,-2.0170333392987803 |
| CN(C)C1CCc2ccc(O)cc2C1(C)C,-2.0569048513364727 |
| CCCNC1CCc2ccc(O)cc2C1(C)C,-2.6910814921229687 |
| CCCN(C)C1CCc2ccc(O)cc2C1(C)C,-1.9294189257142929 |
| CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C,-2.6830470382388496 |
| CC1(C)c2cc(O)ccc2CCC1NCC1CC1,-2.494154594018443 |
| CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C,-2.0170333392987803 |
| CC1(C)c2cc(O)ccc2CCC1N(CC1CC1)CC1CC1,-2.625312450961674 |
| C=CCNC1CCc2ccc(O)cc2C1(C)C,-2.305351369446624 |
| C=CCN(C)C1CCc2ccc(O)cc2C1(C)C,-3.03342375548695 |
| C=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C,-2.0211892990699383 |
| CC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1,-1.0293837776852095 |
| CN(C/C=C/c1ccccc1)C1CCc2ccc(O)cc2C1(C)C,-1.5987905067631152 |
| CC1(C)c2cc(O)ccc2CCC1N(C/C=C/c1ccccc1)C/C=C/c1ccccc1,-2.428134794028789 |
| CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1,-0.2121876044039577 |
| COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.4742162640762553 |
| C=C(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.4149733479708178 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.0791812460476249 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.863322860120456 |
| COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.833784374656479 |
| COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.7589118923979736 |
| COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.2041199826559248 |
| C=CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.806179973983887 |
| CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.6794278966121188 |
| CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,-3.0111473607757975 |
| CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,-3.041392685158225 |
| CN(C(=O)Cc1ccccc1CNS(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1,-2.7558748556724915 |
| CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-3.0261245167454502 |
| CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,-3.0211892990699383 |
| CN(C(=O)Cc1ccc(NS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.0211892990699383 |
| CN(C(=O)Cc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1,-3.278753600952829 |
| CN(C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.8948696567452523 |
| CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1,-2.643452676486187 |
| CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1,-3.0211892990699383 |
| CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.9434945159061026 |
| CN(C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.503790683057181 |
| CN(C(=O)Cc1cccc(CN)c1)[C@H](CN1CCCC1)c1ccccc1,-3.361727836017593 |
| CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-3.03342375548695 |
| CN(C(=O)Cc1ccc2c(c1)CN(S(C)(=O)=O)C2)[C@H](CN1CCCC1)c1ccccc1,-1.869231719730976 |
| CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-2.1789769472931693 |
| CC(=O)NCc1ccccc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1,-3.093421685162235 |
| Cc1ccc(S(=O)(=O)NCc2ccc(CC(=O)N(C)[C@H](CN3CC[C@H](O)C3)c3ccccc3)cc2)cc1,-2.846955325019824 |
| NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,0.1487416512809247 |
| NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,1.2839966563652008 |
| COc1c(C(N)=O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,-1.041392685158225 |
| O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]2(CCN3CC2CC2)C1,-1.230448921378274 |
| NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CCC(=O)C3,0.8386319977650252 |
| CCC(=O)N(CCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1,-1.5185139398778875 |
| CCC(=O)N(c1ccccc1)C1(C(=O)OC[18F])CCN(CCc2ccccc2)CC1,0.8860566476931632 |
| CCC(=O)N(c1ccccc1)C1(C(=O)OCC[18F])CCN(CCc2ccccc2)CC1,-0.0791812460476248 |
| CCC(=O)N(c1ccccc1)C1CCN(CCCCC[18F])CC1,-1.130333768495006 |
| CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCCC[18F])CC1,0.1307682802690238 |
| CC([18F])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,-0.3222192947339193 |
| COCC1(N(C(=O)C(C)[18F])c2ccccc2)CCN(CCc2cccs2)CC1,0.8860566476931632 |
| Cn1c(N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)nc2ccccc21,-2.3710678622717363 |
| O=S(=O)(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,-2.991226075692495 |
| COc1cccc(NC(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1,-3.1414497734004674 |
| O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,-3.0813473078041325 |
| O=C(Nc1ccccc1F)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,-3.401400540781544 |
| CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1,-2.6963563887333324 |
| O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccn2)CC1,-3.1513698502474603 |
| COc1cccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)Nc3ccccc3)CC2)c1,-3.511348515490213 |
| O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2F)CC1,-2.631443769013172 |
| O=C(/C=C/C(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,-1.1139433523068367 |
| O=C(CCCCCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,-0.7558748556724915 |
| O=C(CCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,-0.5185139398778874 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,0.1870866433571444 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1,0.3565473235138126 |
| CN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,0.6575773191777937 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,0.4685210829577448 |
| O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,-0.4471580313422192 |
| C#CCN1CC[C@]23CCCCC2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCCC2[C@@H](C4)N(CC#C)CC5)cc13,-1.146128035678238 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,0.1739251972991735 |
| Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.568201724066995 |
| Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C[C@@H]1CCCO1)CC3,2.0 |
| CCCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,-1.1139433523068367 |
| CCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,-1.6720978579357175 |
| CCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,-2.57978359661681 |
| CCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC,-2.7403626894942437 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCC,-2.633468455579586 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CC,-2.6127838567197355 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1C,-2.716003343634799 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCCc1ccccc1,-1.2787536009528289 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1,-2.845098040014257 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1,-2.7481880270062 |
| C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,-2.361727836017593 |
| C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1,-2.204119982655925 |
| C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1,-2.462397997898956 |
| C[C@H]1CN(CCc2ccccc2)[C@H](c2ccccc2)C[C@@]1(C)c1cccc(O)c1,-2.447158031342219 |
| C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1,-1.7708520116421442 |
| CC(=O)NCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-2.278753600952829 |
| C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1,-2.8920946026904804 |
| CCCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-2.041392685158225 |
| CC(C)[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-2.4313637641589874 |
| CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-1.3010299956639813 |
| CC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-1.8750612633917 |
| C[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1,-1.1760912590556811 |
| COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1,-3.146128035678238 |
| Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21,-2.230448921378274 |
| OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,-2.724275869600789 |
| Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,-2.9542425094393248 |
| c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2,-2.591064607026499 |
| c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,-3.3010299956639813 |
| c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1,-2.531478917042255 |
| c1ccc(Oc2ccc(CN3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1,-2.5185139398778875 |
| Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12,-2.4149733479708178 |
| Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12,-2.633468455579586 |
| CN(C)C[C@@H](O)Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21,-2.8808135922807914 |
| Fc1ccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1,-2.9542425094393248 |
| CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21,-3.4313637641589874 |
| Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1,-2.6989700043360187 |
| Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1,-3.03342375548695 |
| Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1,-2.6989700043360187 |
| Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1,-2.4149733479708178 |
| Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1,-3.1335389083702174 |
| Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1,-2.9444826721501687 |
| Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1,-2.361727836017593 |
| N#Cc1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN,-3.617000341120899 |
| Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1,-2.6989700043360187 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O,-1.2988530764097066 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O,-0.1702617153949573 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O,0.3372421683184259 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-0.5583084834648858 |
| Cc1cc(O)cc(C)c1C[C@@H](C)CN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1,0.3010299956639812 |
| CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1,-3.6020599913279625 |
| Oc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1,-3.0 |
| CC(C)(C)c1cccc(-c2nncn2-c2cccc(O)c2)c1,-2.929418925714293 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(C)CC[C@]314,0.2218487496163563 |
| Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,0.1426675035687315 |
| O=C(/C=C/c1ccccc1Cl)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,0.1487416512809247 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(C)CC[C@]314,0.3098039199714863 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(C)CC[C@]314,0.3979400086720376 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(C)CC[C@]314,0.1674910872937636 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C5,0.6989700043360187 |
| Cc1ccc(/C=C/C(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,0.4685210829577448 |
| Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,0.6777807052660807 |
| CN1CC[C@]23c4c5cccc4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccccc2Cl)[C@H]1C5,0.8239087409443188 |
| Cc1ccc(CCC(=O)N[C@@]23CCC(=O)[C@@H]4Oc5c(O)ccc6c5[C@@]42CCN(C)[C@@H]3C6)cc1,0.4559319556497244 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.1611509092627447 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O,-3.041392685158225 |
| CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C,-0.4913616938342727 |
| CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C,-0.3222192947339193 |
| C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,-0.7634279935629373 |
| C[C@H]1C2Cc3ccc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,-1.041392685158225 |
| C[C@H]1C2Cc3ccc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,-1.255272505103306 |
| C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,-0.3979400086720376 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,-0.5440680443502757 |
| C[C@H]1C2Cc3ccc(C(=O)NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,-1.4313637641589874 |
| C[C@H]1C2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,-2.9242792860618816 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.9324737646771533 |
| O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.0655015487564322 |
| O=C(Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,0.1366771398795441 |
| O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.0177287669604316 |
| O=C1CC[C@@]2(NCC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.0 |
| O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.2764618041732441 |
| O=C(CCCc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.1271047983648076 |
| O=C(C/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.271841606536499 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.1238516409670858 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.4216039268698311 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.3483048630481606 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.0606978403536116 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.829946695941636 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.5888317255942073 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.9132839017604184 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.9068735347220704 |
| O=C1CC[C@@]2(NC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.494850021680094 |
| C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.041392685158225 |
| C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,-1.230448921378274 |
| C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1,-0.255272505103306 |
| C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1ccccc1,-3.204119982655925 |
| C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.6720978579357175 |
| C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.5185139398778874 |
| CC(=O)N1C[C@H]2C[C@@](C)(c3cccc(O)c3)[C@@H](C)CN2C[C@@H]1c1ccccc1,-1.9731278535996983 |
| CC(C)[C@H]1CN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2CN1,-2.57978359661681 |
| C[C@H]1CN2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.4313637641589873 |
| C[C@H]1CN2CCN(C(=O)Nc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.4913616938342726 |
| C[C@H]1CN2CCN(S(=O)(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-2.322219294733919 |
| C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-2.204119982655925 |
| C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.5563025007672873 |
| C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.7403626894942439 |
| C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.0606978403536116 |
| C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-2.342422680822206 |
| C[C@H]1CN2CCN(C(=O)CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-2.204119982655925 |
| C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.230448921378274 |
| C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.3010299956639812 |
| CC(=O)N1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,-2.716003343634799 |
| COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,-1.041392685158225 |
| C[C@H]1CN2CCN(Cc3ccc(N(C)C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-2.8750612633917 |
| C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.0 |
| C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.6334684555795865 |
| C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.255272505103306 |
| C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.230448921378274 |
| C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.1760912590556812 |
| C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0.3279021420642826 |
| Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1,-1.146128035678238 |
| Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,-0.1139433523068367 |
| Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,0.0087739243075051 |
| C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.4771212547196624 |
| C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.146128035678238 |
| C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.0791812460476249 |
| C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.8692317197309762 |
| C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.1760912590556811 |
| C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.1139433523068367 |
| C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.3010299956639813 |
| C[C@H]1CN2CCN(Cc3ccnc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.944482672150169 |
| C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-0.5440680443502757 |
| C[C@H]1CN2CCN(Cc3ccc4ccccc4c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.9542425094393248 |
| C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.1139433523068367 |
| C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,-1.3222192947339193 |
| C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1,-2.0791812460476247 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CCc2ccccc2)CCCC4)C[C@@]3(O)C1C5,-1.187520720836463 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2CC2CCCCC2)CCCC4)C[C@@]3(O)C1C5,-1.252853030979893 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5,-1.9489017609702135 |
| CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(C)C(C5)[C@]4(O)C3)CCCC2,-1.41161970596323 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2C)CCCC4)C[C@@]3(O)C1C5,-1.4014005407815442 |
| Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-0.8727388274726688 |
| Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-1.2671717284030135 |
| Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-0.7315887651867387 |
| Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,-0.4014005407815441 |
| CCn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)C(C5)[C@]4(O)C3)CCCC2,-0.7041505168397991 |
| Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)CCCC2,-0.7604224834232121 |
| CCn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,-0.9420080530223132 |
| Cn1cc(-c2ccccc2)c2c1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,-0.8808135922807914 |
| C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0.3665315444204134 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,0.5376020021010439 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,0.3372421683184259 |
| COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,-2.531478917042255 |
| Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CCC1)C2,0.431798275933005 |
| Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,0.9208187539523752 |
| CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc13,0.3098039199714863 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,-0.5910646070264992 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,-0.041392685158225 |
| CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13,-1.3424226808222062 |
| COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,-2.5185139398778875 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,-0.7708520116421442 |
| O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,0.1549019599857432 |
| O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,0.9208187539523752 |
| CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,-0.568201724066995 |
| CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CCC1)CC3,-0.0791812460476248 |
| O=C(NCc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,0.5228787452803376 |
| O=C(Nc1ccccc1)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,0.958607314841775 |
| CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,0.5376020021010439 |
| CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3,-0.724275869600789 |
| CNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,-0.146128035678238 |
| CCNC(=O)Oc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,-0.6812412373755872 |
| CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-3.796921075330169 |
| Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.3909351071033793 |
| c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-4.331528518868691 |
| CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.217220655644519 |
| CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.576341350205793 |
| COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.6148972160331345 |
| COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,-2.9258275746247424 |
| COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,-2.9258275746247424 |
| OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.2624510897304293 |
| OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,-2.1702617153949575 |
| OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.4082399653118496 |
| Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,-3.331832044436249 |
| O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-3.456973013635818 |
| OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.0791812460476247 |
| COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-1.4471580313422192 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,-3.388988785124714 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,-2.230448921378274 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,-2.2479732663618064 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,-2.8992731873176036 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,-2.303196057420489 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,-2.784617292632875 |
| CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-0.9542425094393248 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,-3.081707270097349 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,-2.8536982117761744 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,-2.103803720955957 |
| Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1,-3.571475903681944 |
| Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,-2.167317334748176 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1,-2.6074550232146687 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1,-2.913283901760418 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1,-3.969602264848539 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.367355921026019 |
| O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-3.5724068675580556 |
| COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-4.776773802412107 |
| CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.6541765418779604 |
| COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.8920946026904804 |
| OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1,-1.380211241711606 |
| OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1,-2.8959747323590648 |
| CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.1583624920952498 |
| CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.096910013008056 |
| CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-1.568201724066995 |
| CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-1.462397997898956 |
| CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-2.5327543789924976 |
| CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,-3.3613500243522663 |
| O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c34)[C@@H]3Oc4c(O)ccc6c4[C@@]34CCN(CC3CC3)[C@H](C6)[C@]4(O)C5)cc2cc1C=O,-2.1583624920952498 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@]21C,-3.161368002234975 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,-0.2278867046136735 |
| CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccc(C)cc5)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.3187587626244128 |
| CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccccc5C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.6575773191777937 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.1674910872937636 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.4089353929735008 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,-1.534026106056135 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315,-1.0530784434834195 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.721246399047171 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.744727494896694 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.638272163982407 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.6020599913279624 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.8538719643217619 |
| CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.6020599913279624 |
| COc1ccc(/C=C/C(=O)NC[C@H]2C[C@@]34CC[C@@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)cc1,-1.1072099696478683 |
| COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5,-0.2966651902615311 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315,-0.4712917110589386 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315,0.0604807473813814 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315,-0.4166405073382809 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc(C)cc4)[C@@H](C2)N(C)CC[C@]315,-1.0718820073061257 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4Cl)[C@@H](C2)N(C)CC[C@]315,0.2006594505464183 |
| COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4C)[C@@H](C2)N(C)CC[C@]315,0.1307682802690238 |
| CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.3424226808222062 |
| CNC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-1.0791812460476249 |
| NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.505149978319906 |
| NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-0.146128035678238 |
| O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,-0.7634279935629373 |
| O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,-2.204119982655925 |
| Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC2,-1.6020599913279625 |
| Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2,-2.1760912590556813 |
| Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-0.1139433523068367 |
| CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,-2.5477747053878224 |
| CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,-2.545307116465824 |
| CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1,-2.278753600952829 |
| OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.161368002234975 |
| OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.0791812460476247 |
| CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.482873583608754 |
| CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.296665190261531 |
| CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.2121876044039577 |
| CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.432969290874406 |
| CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.2227164711475833 |
| CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21,-2.257678574869185 |
| NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,-2.655138434811382 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,-2.7895807121644256 |
| NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,-2.7895807121644256 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,-1.568201724066995 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,-2.3961993470957363 |
| NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,-3.4892551683692603 |
| Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,-2.7007037171450192 |
| Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,-2.278753600952829 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,-1.8573324964312683 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,-1.8573324964312683 |
| Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,-1.4471580313422192 |
| NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.096910013008056 |
| CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,-0.3010299956639812 |
| CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,-0.3010299956639812 |
| OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1,-4.062205808819713 |
| Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.8785217955012063 |
| OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.2390490931401916 |
| OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.658393026279124 |
| OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.5268559871258747 |
| OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-4.016615547557177 |
| OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.60959440922522 |
| CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.949341206770497 |
| CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.5561818466529114 |
| CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.4345689040341987 |
| CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-4.121559844187501 |
| OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1,-4.263990932681312 |
| OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.2695129442179165 |
| N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-3.9233476564978256 |
| COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-4.04336227802113 |
| COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,-3.475380593143361 |
| COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.9925535178321354 |
| CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-4.058046230395282 |
| CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-3.53567380342575 |
| Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,-2.9731278535996988 |
| Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,-2.436162647040756 |
| Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,-1.869231719730976 |
| OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-3.024074987307426 |
| OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.971275848738105 |
| OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.8870543780509568 |
| OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.848189116991399 |
| OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,-2.7701152947871015 |
| C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,-2.5499958515306513 |
| C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O,-1.869994000121742 |
| CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1,-3.4413808849165113 |
| NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1,-2.8085283039394437 |
| O=C(c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1)N1CCCCC1,-2.5904963118145647 |
| CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,-1.7182525000977509 |
| CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,-1.7570162347313003 |
| CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,-1.7184186418296556 |
| CNC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,-2.3701984035591073 |
| N=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,-1.312811826212088 |
| NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1,0.7695510786217261 |
| N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1,-3.0321592453781983 |
| NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1,-0.8715729355458788 |
| C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1,0.9556562651048932 |
| NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1,-0.0433622780211294 |
| NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1,0.6575773191777939 |
| NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1,-0.5132176000679389 |
| NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1,-1.3475251599986895 |
| NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1,-1.2664668954402414 |
| NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1,-1.2190603324488614 |
| Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1,0.2076083105017461 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C,-1.187520720836463 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O,-0.6263403673750424 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C,-1.7551122663950711 |
| Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C,0.1804560644581313 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,0.9030899869919436 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O,0.2596373105057561 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,0.3767507096020995 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O,-0.0 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O,-2.1109262422664203 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O,-1.8836614351536176 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O,-0.948412965778601 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCN2CCOCC2)C3)nc1,-2.334192291524874 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1,-2.1095785469043866 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1,-1.619823500457278 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC(F)(F)F)C3)nc1,-1.3877456596088638 |
| CCC(CC)CN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.623559390005437 |
| CC(C)(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.2631624649622166 |
| CC(C)CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.0766404436703418 |
| CC(C)CCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-0.8779469516291882 |
| CC(C)CCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.04688519083771 |
| CCCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.0802656273398448 |
| CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.0740846890282438 |
| CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1,-1.318272080211627 |
| NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1,-0.7032913781186614 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)CC3)nc1,-1.961373627594801 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)CC3)nc1,-2.608312042697327 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCc2ccccc2)C3)nc1,-1.0038911662369103 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)CC3)nc1,-2.364719802729918 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCCc2ccccc2)C3)nc1,-2.2671717284030137 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)nc1,-1.2027606873932 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1,-2.2528530309798933 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)C3)nc1,-2.818753590497717 |
| NC(=O)c1ccc(Oc2ccc3c(c2)CN(Cc2ccccc2)C3)nc1,-3.0034605321095067 |
| CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O,-1.2041199826559248 |
| COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1,-1.5314789170422551 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1,-2.03342375548695 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1,-2.075546961392531 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1,-2.0 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1,-2.635483746814912 |
| C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.298853076409707 |
| COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.255272505103306 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1,-1.8750612633917 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)(C)C)c4ccccc43)CC2)C(C)C)c1,-2.3891660843645326 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1,-2.376576957056512 |
| CCCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.2068258760318495 |
| CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.4345689040341987 |
| CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.460897842756548 |
| CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-1.662757831681574 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1,-1.845098040014257 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)O)c4ccccc43)CC2)C(C)C)c1,-2.096910013008056 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1,-1.792391689498254 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)O)c4ccccc43)CC2)C(C)C)c1,-3.230704313612569 |
| CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.0863598306747484 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)Cc4ccccc4)c4ccccc43)CC2)C(C)C)c1,-2.2355284469075487 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1,-2.0253058652647704 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1,-1.4313637641589874 |
| COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.432969290874406 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1,-1.3617278360175928 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1,-2.012837224705172 |
| COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.432969290874406 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1,-2.27415784926368 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1,-2.1398790864012365 |
| CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-2.05307844348342 |
| CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-0.9542425094393248 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2,-2.6989700043360187 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21,-2.989894563718773 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21,-1.7715874808812553 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21,-1.6910814921229684 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2,-2.1156105116742996 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2,-2.2095150145426308 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2,-1.0453229787866574 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2,-1.8591382972945307 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2,-2.123851640967086 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2,-0.7075701760979364 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21,-1.6812412373755872 |
| O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2,-2.828015064223977 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2,-2.8959747323590648 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2,-3.5033820634737327 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2,-2.7535830588929064 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2,-3.208441356438567 |
| Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-2.5390760987927767 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2,-3.705949194910296 |
| Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-3.04493154614916 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2,-2.890979596989689 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2,-2.912753303671323 |
| O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2,-2.6766936096248664 |
| O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2,-3.3898745583909853 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,-2.687974620034556 |
| O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2,-2.5998830720736876 |
| CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-1.4771212547196624 |
| CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-1.3424226808222062 |
| CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-2.3873898263387296 |
| CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-2.550228353055094 |
| CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1,-1.869231719730976 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,-1.4661258704181992 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2,-1.57287160220048 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2,-2.123851640967086 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2,-2.367355921026019 |
| O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2,-3.245759355967277 |
| O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2,-2.9479236198317262 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,-1.2787536009528289 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,-2.0 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,-2.806179973983887 |
| Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O,-1.2787536009528289 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)N[C@H](C(=O)O)[C@@H](C)O,-3.041392685158225 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,-3.0791812460476247 |
| Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,-0.9912260756924948 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)O,-3.0791812460476247 |
| Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O,-0.9912260756924948 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(C(N)=O)c1)C(=O)O,-2.7481880270062 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(=O)O,-3.146128035678238 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(N)=O,-1.255272505103306 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.0791812460476249 |
| CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)O,-1.4471580313422192 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(I)cc4c2C[C@@]3(O)[C@H]1C5,-1.8195439355418688 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Br)cc4c2C[C@@]3(O)[C@H]1C5,-1.8512583487190752 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(Cl)cc4c2C[C@@]3(O)[C@H]1C5,-1.6720978579357175 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(F)cc4c2C[C@@]3(O)[C@H]1C5,-1.3222192947339193 |
| C[C@H]1C2Cc3ccc(C(=O)NCCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,-0.380211241711606 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,-0.6232492903979004 |
| C[C@H]1C2Cc3ccc(C(=O)NCc4cccc5ccccc45)cc3[C@@]1(C)CCN2CC1CC1,-0.3979400086720376 |
| C[C@H]1C2Cc3ccc(C(=O)NCCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,-0.2787536009528289 |
| C[C@H]1C2Cc3ccc(C(=O)NCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1,-0.1139433523068367 |
| Cc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CCN(CC5CC5)C(C4)[C@@H]3C)cc2)cc1,0.5376020021010439 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)c(Cl)c5)cc4)cc3[C@@]1(C)CCN2CC1CC1,0.0087739243075051 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(Cl)cc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,0.6989700043360187 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4Br)cc3[C@@]1(C)CCN2CC1CC1,-0.6020599913279624 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(Br)c4)cc3[C@@]1(C)CCN2CC1CC1,0.4559319556497244 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(Br)cc4)cc3[C@@]1(C)CCN2CC1CC1,-0.380211241711606 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccccc4-c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1,-0.8260748027008264 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4cccc(-c5ccccc5)c4)cc3[C@@]1(C)CCN2CC1CC1,0.0222763947111522 |
| CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1,-3.4149733479708178 |
| CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,-3.712228669619535 |
| CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,-3.788097633380297 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1,-3.8296253533580495 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1,-3.7328760413627062 |
| CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,-3.1992064791616577 |
| CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,-2.392696953259666 |
| CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,-2.3324384599156054 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1,-3.2730012720637376 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1,-3.812913356642856 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1,-3.1271047983648077 |
| CN1Cc2cc(F)ccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,-3.5444401373176926 |
| CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,-3.89209460269048 |
| CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,-3.002166061756508 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1,-2.7323937598229686 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1,-3.3170181010481117 |
| CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1,-2.677606952720493 |
| O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2,-1.671033920344041 |
| COc1ccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,0.5686362358410126 |
| O=C(Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.7958800173440752 |
| COc1cccc(CC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,0.8860566476931632 |
| O=C(CCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.9208187539523752 |
| O=C(/C=C/Cc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,1.2218487496163564 |
| O=C(O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,-1.0034605321095065 |
| CN(C)c1cccc(C(=O)NC2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,-0.0791812460476248 |
| CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,0.0362121726544447 |
| Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,0.3665315444204134 |
| COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,0.6777807052660807 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc([N+](=O)[O-])c1,0.721246399047171 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(O)c1,0.8860566476931632 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1,1.0 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1,1.3010299956639813 |
| O=C(C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.173186268412274 |
| C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.2041199826559248 |
| [11CH3]n1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.5932860670204572 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,0.3010299956639812 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,0.3872161432802645 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.041392685158225 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.8633228601204559 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.6720978579357175 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.041392685158225 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.3010299956639812 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.4313637641589873 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.2787536009528289 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-0.2304489213782739 |
| C[C@H]1CN(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.1760912590556811 |
| C[C@H]1CN(CCC(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.869231719730976 |
| C[C@H]1CN(CCC(=O)N(CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.8195439355418688 |
| C[C@H]1CN(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.3617278360175928 |
| C[C@H]1CN(CCC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.505149978319906 |
| C[C@H]1CN(CCC(=O)N(CC2CC2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.3424226808222062 |
| CC(C)CN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,-1.4471580313422192 |
| CCN(C(=O)CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)O,-1.2787536009528289 |
| C[C@H]1CN(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.8195439355418688 |
| C[C@H]1CN(CCC(=O)N[C@@H](CCc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.7634279935629371 |
| C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.9030899869919435 |
| C[C@H]1CN(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.3010299956639813 |
| C[C@H]1CN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,-1.5563025007672873 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,0.4054969561799108 |
| CCCN1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1,-3.755874855672491 |
| CNC(=O)Cn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21,-1.7299742856995557 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cccn4)c4ccccc43)CC2)C(C)C)c1,-2.3499958992628565 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4)c4ccccc43)CC2)C(C)C)c1,-2.080012847107928 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c[nH]cn4)c4ccccc43)CC2)C(C)C)c1,-2.330007700872759 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnccn4)c4ccccc43)CC2)C(C)C)c1,-1.880012838366772 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccnc4)c4ccccc43)CC2)C(C)C)c1,-1.6799726942774185 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccs4)c4ccccc43)CC2)C(C)C)c1,-1.6500159524718383 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c(C)noc4C)c4ccccc43)CC2)C(C)C)c1,-1.749968083509403 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cc(C)on4)c4ccccc43)CC2)C(C)C)c1,-2.159988050381987 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncco4)c4ccccc43)CC2)C(C)C)c1,-1.920018916028915 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cocn4)c4ccccc43)CC2)C(C)C)c1,-2.019988159591285 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C(C)(C)C)n4)c4ccccc43)CC2)C(C)C)c1,-2.720002101717151 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccncc4)c4ccccc43)CC2)C(C)C)c1,-1.63002085111341 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4csc(C)n4)c4ccccc43)CC2)C(C)C)c1,-1.5899496013257075 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccccn4)c4ccccc43)CC2)C(C)C)c1,-1.7199938263676038 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccsc4)c4ccccc43)CC2)C(C)C)c1,-1.5899496013257075 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cscn4)c4ccccc43)CC2)C(C)C)c1,-1.63002085111341 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncsn4)c4ccccc43)CC2)C(C)C)c1,-2.0 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4n[nH]c(=O)[nH]4)c4ccccc43)CC2)C(C)C)c1,-1.4000196350651586 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnn[nH]4)c4ccccc43)CC2)C(C)C)c1,-2.259999795081887 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncon4)c4ccccc43)CC2)C(C)C)c1,-1.889973638403996 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnn[nH]4)c4ccccc43)CC2)C(C)C)c1,-3.0099987300480606 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn(C)n4)c4ccccc43)CC2)C(C)C)c1,-2.0 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncnn4C)c4ccccc43)CC2)C(C)C)c1,-1.6799726942774185 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C)n4)c4ccccc43)CC2)C(C)C)c1,-2.30999192878118 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nc(C)no4)c4ccccc43)CC2)C(C)C)c1,-1.9800033715837464 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnc(C)[nH]4)c4ccccc43)CC2)C(C)C)c1,-2.080012847107928 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cncn4)c4ccccc43)CC2)C(C)C)c1,-1.5899496013257075 |
| COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4C)c4ccccc43)CC2)C(C)C)c1,-2.090011024007147 |
| COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=CC1=O,-4.539076098792776 |
| COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,-3.869231719730976 |
| COc1ccc2c3c1O[C@H]1C(=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,-2.661812685537261 |
| COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,-2.456366033129043 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5,-2.164352855784437 |
| COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@]314,-2.484299839346786 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=C[C@H]3[C@H]1C5,-0.3222192947339193 |
| CO[C@H]1CC[C@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3C)[C@H]1O5,-2.7193312869837265 |
| COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,-3.2810333672477277 |
| CN1CC[C@]23c4c5cccc4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5,-2.0863598306747484 |
| CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5,-1.359835482339888 |
| COC(=O)[C@@H]1C[C@H](SC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.462397997898956 |
| COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-0.4913616938342727 |
| COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.621176281775035 |
| COC(=O)[C@@H]1C[C@H](OC(=O)C2CCCCC2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.012837224705172 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.0 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.0 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.0 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc3ccccc3c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.255272505103306 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.4149733479708178 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2[N+](=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.877946951629189 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.845098040014257 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.4771212547196624 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.214843848047698 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.0 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.041392685158225 |
| COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.041392685158225 |
| CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)OCO2)[C@H](CN1CCCC1)c1ccccc1,-0.8129133566428556 |
| CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CC[C@H](O)C1)c1ccccc1,-1.5314789170422551 |
| CN(C(=O)Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2)[C@H](CN1CCCC1)c1ccccc1,-1.6720978579357175 |
| CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](CN1CCCC1)c1ccccc1,-2.6532125137753435 |
| COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,-0.9542425094393248 |
| COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC,-1.1760912590556811 |
| COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,-1.4313637641589874 |
| COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC,-1.7160033436347992 |
| COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,-0.7708520116421442 |
| COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC,-1.146128035678238 |
| COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC,-1.3222192947339193 |
| COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,-1.3979400086720375 |
| COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC,-1.6232492903979006 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O,-0.9731278535996988 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1,-0.2807084181252701 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-2.0511525224473814 |
| CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,-1.5717088318086876 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.08278537031645 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.0569048513364727 |
| C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-2.848189116991399 |
| C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-3.503790683057181 |
| C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-2.353916230920363 |
| C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.861534410859038 |
| Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,0.6575773191777937 |
| CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,-0.919078092376074 |
| CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,-0.7558748556724915 |
| CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,-1.4683473304121573 |
| CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21,-1.3820170425748683 |
| CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5,1.5257837359237447 |
| N#CC1(c2ccccc2)CCN(CCCCc2ccccc2)CC1,-3.991226075692494 |
| N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1,-3.770852011642144 |
| CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1,-0.9777236052888476 |
| CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1,-1.0360963453482763 |
| NC(=O)c1ccc2c3c1O[C@H]1C4NC5C(C[C@@]6(O)[C@H]7Cc8ccc(C(N)=O)c9c8[C@@]6(CCN7CC6CC6)[C@H]5O9)C4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.6020599913279625 |
| CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.1135092748275181 |
| C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-1.255272505103306 |
| C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,0.5606673061697374 |
| CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C,-0.7323937598229685 |
| CC(C)=CCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C,-0.5622928644564746 |
| CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2C,-0.2041199826559248 |
| C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1,0.6989700043360187 |
| CC1C2Cc3ccc(C(N)=O)cc3C1(C)CCN2CCc1ccccc1,1.8239087409443189 |
| NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,0.8239087409443188 |
| C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,-0.6532125137753437 |
| C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.414973347970818 |
| CCCCCCC(N)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,1.0915149811213505 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,1.2291479883578558 |
| CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O,-2.424881636631067 |
| CCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1O[C@H](C(N)=O)[C@@H](O)[C@H](O)[C@H]1O,-2.1702617153949575 |
| NC(=O)[C@H]1O[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,-2.1789769472931693 |
| CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-2.08278537031645 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,-2.060697840353612 |
| CCCCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-1.187520720836463 |
| [3H]C([3H])([3H])Oc1cc(I)c(OC)cc1CCNCc1ccccc1OC([3H])([3H])[3H],-1.9138138523837167 |
| C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1,-0.7403626894942439 |
| C[C@H]1C2Cc3cc(N)c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,-1.944482672150169 |
| C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1,0.2596373105057561 |
| C[C@H]1C2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1,-2.7993405494535817 |
| C[C@H]1C2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,-1.3010299956639813 |
| C[C@H]1C2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CCN2CC1CC1,-3.57978359661681 |
| C[C@H]1C2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1,-1.505149978319906 |
| C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1,-1.944482672150169 |
| C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(-c6ccccc6)cc5)c4cc3[C@@]1(C)CCN2CC1CC1,-1.4471580313422192 |
| C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,-1.6434526764861874 |
| C[C@H]1C2Cc3ccc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc4c3[C@@]1(C)CCN2CC1CC1,-0.8388490907372553 |
| C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1,-2.949390006644913 |
| C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1,0.2596373105057561 |
| C[C@H]1C2Cc3ccc4c(=O)[nH]cnc4c3[C@@]1(C)CCN2CC1CC1,-2.4313637641589874 |
| C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1,-2.230448921378274 |
| CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,0.2218487496163563 |
| C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,-2.4149733479708178 |
| C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)CSSC1(C)C)C(N)=O,-0.3053513694466238 |
| COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.3872161432802645 |
| NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.662757831681574 |
| NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,0.2924298239020636 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,0.5528419686577808 |
| CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,-0.0791812460476248 |
| CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13,0.5228787452803376 |
| Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,0.619788758288394 |
| NC(=O)c1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.3979400086720376 |
| NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3,0.7958800173440752 |
| NC(=O)c1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,-0.5797835966168101 |
| C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)O,-0.3053513694466238 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,0.8538719643217619 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,-0.2013971243204515 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,-0.7466341989375788 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,-2.090716448481099 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,-1.8350561017201164 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,-0.1583624920952496 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,-0.4297522800024079 |
| O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,-2.352703359047548 |
| COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,-3.3029799367482493 |
| CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1,-0.7993405494535817 |
| CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,-1.6532125137753435 |
| CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1,-2.1789769472931693 |
| CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1,-2.0086001717619175 |
| CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1,-1.8129133566428557 |
| CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1,-1.041392685158225 |
| CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1,-1.3010299956639813 |
| CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1,-1.3222192947339193 |
| CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1,-1.041392685158225 |
| NC(=O)c1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-3.1189257528257768 |
| NC(=O)[C@@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5415792439465807 |
| NC(=O)[C@@]1(c2cc(F)cc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.670245853074124 |
| NC(=O)[C@@]1(c2cc(F)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.869231719730976 |
| NC(=O)[C@@]1(c2cc(CF)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5646660642520893 |
| N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5352941200427703 |
| N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.320146286111054 |
| CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.494154594018443 |
| CC(=O)N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7788744720027396 |
| COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.869818207979328 |
| COC(=O)NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.9479236198317262 |
| COC(=O)N[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.9827233876685453 |
| CN(C)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.9242792860618816 |
| NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.9294189257142929 |
| NC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.4533183400470375 |
| NC(=O)C[C@@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.278753600952829 |
| N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.6503075231319366 |
| NC(=O)[C@@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.8512583487190752 |
| NC(=O)[C@@]1(c2ccncc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.423245873936808 |
| NC(=O)[C@@]1(c2ccc(Br)nc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.662757831681574 |
| NC(=O)C1(C2CCCCN2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.6757783416740852 |
| C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1,-2.8680563618230415 |
| OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1,-1.9731278535996983 |
| OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1,-2.710963118995276 |
| Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2,-1.8129133566428557 |
| OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.3424226808222062 |
| OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.172310968521954 |
| OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.6720978579357175 |
| OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.6232492903979006 |
| Cc1ccnc(C2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)c1,-2.850033257689769 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1,-1.7558748556724917 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1,-2.7283537820212285 |
| COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1,-2.584331224367531 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1,-2.0170333392987803 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1,-2.8926510338773004 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCN2Cc2ccccc2)C3)c(Cl)c1,-3.191171455728558 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1,-2.7937903846908188 |
| Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(CCCO)C3)c(Cl)c1,-2.48572142648158 |
| OC1(c2cccnc2)C2CCC1CN(C(c1ccccc1Cl)c1ccccc1Cl)C2,-3.8606374167737543 |
| Cc1ccnc(C2(O)C3CCC2CN(C(c2ccccc2Cl)c2ccccc2Cl)C3)c1,-3.554610285226164 |
| COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.803457115648414 |
| OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7972675408307164 |
| O=C(O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.089905111439398 |
| NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.57978359661681 |
| COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.760422483423212 |
| NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.660865478003869 |
| CNC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.4313637641589874 |
| O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1,-2.998259338423699 |
| Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(c1ccccc1)(c1nc[nH]n1)C2,-2.0 |
| O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7788744720027396 |
| NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.100370545117563 |
| NC(=O)C1(c2ccc(Cl)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.740362689494244 |
| COc1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,-1.7708520116421442 |
| CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.6989700043360187 |
| CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.3324384599156054 |
| CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5224442335063197 |
| COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.7781512503836436 |
| CC(O)CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.7558748556724917 |
| NC(=O)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.7160033436347992 |
| NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.089905111439398 |
| NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.155336037465062 |
| NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.184691430817599 |
| Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-1.414973347970818 |
| COc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-2.123851640967086 |
| NC(=O)[C@@]1(c2ccc(N)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.311753861055754 |
| N#Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-2.682145076373832 |
| COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.342422680822206 |
| COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.447158031342219 |
| COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.037426497940624 |
| COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.752816431188271 |
| CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.716003343634799 |
| CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.4913616938342726 |
| CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.716003343634799 |
| NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.82865989653532 |
| CNC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7528164311882715 |
| CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.1720188094245563 |
| CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.890421018800914 |
| COC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.9566485792052033 |
| CC(=O)N(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.4183012913197452 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@@](CN1CCCC1)(c1ccccc1)C2,-3.6200318951262975 |
| CC(=O)NC[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.3234583668494677 |
| COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1,-3.38147609027503 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@]1(CNc3ccccc31)C2,-3.0806264869218056 |
| Fc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.231979026831504 |
| Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.999130541287371 |
| NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.125806458139527 |
| CC(=O)NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.660865478003869 |
| NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.1504494094608804 |
| CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.893206753059848 |
| NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7902851640332416 |
| CC(=O)NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5728716022004803 |
| CCNC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.8709888137605755 |
| CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.8948696567452523 |
| CC(=O)NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.1085650237328344 |
| CN(C)C[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.5994463757252757 |
| COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,-2.089905111439398 |
| COc1cccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,-2.399673721481038 |
| CCNC[C@]1(c2cccc(OC)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.645422269349092 |
| CC(=O)NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.8796692056320534 |
| COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-3.5374412834079476 |
| CC(=O)NC[C@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.876217840591642 |
| CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c(O)cccc13,-3.506505032404872 |
| Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CCN3CCc1ccccc1,-0.8450980400142568 |
| C[C@H]1C2Cc3ccc4[nH]nnc4c3[C@@]1(C)CCN2CC1CC1,-0.146128035678238 |
| Cc1nc2c3c(ccc2[nH]1)CC1[C@H](C)[C@]3(C)CCN1CC1CC1,-0.3979400086720376 |
| C[C@H]1C2Cc3ccc4[nH]cnc4c3[C@@]1(C)CCN2CC1CC1,-0.9777236052888476 |
| C[C@H]1C2Cc3cc4nn[nH]c4cc3[C@@]1(C)CCN2CC1CC1,-1.0 |
| C[C@H]1C2Cc3cc4nc(O)[nH]c4cc3[C@@]1(C)CCN2CC1CC1,-1.7781512503836436 |
| Cc1nc2cc3c(cc2[nH]1)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C,0.1135092748275181 |
| C[C@H]1C2Cc3cc4nc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,0.5086383061657274 |
| C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1,-1.255272505103306 |
| CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-2.840106094456758 |
| CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-3.3585059114902354 |
| CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-4.070222633460959 |
| CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-3.9262395210458623 |
| CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-3.6065963091792854 |
| O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2,-3.722551662000958 |
| C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-3.6348801407665263 |
| C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,-4.799478398837981 |
| CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-4.520090328112842 |
| COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.8344207036815323 |
| O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.683947130751512 |
| COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.8609366207000937 |
| NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.9474337218870508 |
| CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-3.028977705208778 |
| CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.8898617212581885 |
| CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.8721562727482928 |
| O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.795880017344075 |
| O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.6020599913279625 |
| CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-2.6242820958356683 |
| O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.9903388547876015 |
| CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C,-3.2835273648616936 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-3.405858399317637 |
| CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-3.1386184338994925 |
| O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-3.255272505103306 |
| O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.639486489268586 |
| O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.639486489268586 |
| O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2,-2.8344207036815323 |
| CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-2.164352855784437 |
| CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-2.2227164711475833 |
| CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-2.1335389083702174 |
| O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,-1.9493900066449128 |
| O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,-2.0492180226701815 |
| CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-1.4471580313422192 |
| CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-1.414973347970818 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-1.5563025007672873 |
| CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O,-2.0863598306747484 |
| O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,-1.568201724066995 |
| CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-2.1522883443830563 |
| CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.146128035678238 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21,-1.7708520116421442 |
| CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.5440680443502757 |
| CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.568201724066995 |
| CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.8388490907372552 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21,-1.9822712330395684 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21,-2.0791812460476247 |
| CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.6334684555795866 |
| C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-2.296665190261531 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21,-1.806179973983887 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21,-2.3783979009481375 |
| CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.7853298350107671 |
| CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C,-1.9138138523837167 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21,-1.8388490907372552 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-1.8195439355418688 |
| CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O,-2.3096301674258988 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,-2.0086001717619175 |
| CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21,-2.143014800254095 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O,-2.4727564493172123 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O,-2.1492191126553797 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O,-1.6989700043360187 |
| CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O,-2.48572142648158 |
| CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O,-4.113943352306837 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.3979400086720376 |
| O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.4685210829577448 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.6232492903979004 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.5440680443502757 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,-2.8260748027008264 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(O)cc1,-2.0791812460476247 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,-1.568201724066995 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1cccc(O)c1,-1.6020599913279625 |
| COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1,-2.230448921378274 |
| COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1,-1.6334684555795866 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,-2.322219294733919 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(F)cc1,-1.6812412373755872 |
| C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O,-3.342422680822206 |
| C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O,-1.3424226808222062 |
| O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,-2.886490725172482 |
| CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-2.531478917042255 |
| CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O,-2.5563025007672873 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2,-3.030599721965951 |
| Fc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-3.055378331375 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2,-2.951337518795918 |
| Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-2.82020145948564 |
| Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-2.369215857410143 |
| CSc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1,-2.7664128471123997 |
| Cc1cccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-3.226342087163631 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1Br)C2,-3.9233476564978256 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2,-2.9628426812012423 |
| Cc1ccnc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1,-2.949877704036875 |
| Fc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,-3.733999286538387 |
| Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,-2.4409090820652177 |
| COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1,-2.6242820958356683 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2,-2.5185139398778875 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2,-2.456366033129043 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2,-2.8981764834976764 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2,-3.070037866607755 |
| Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2,-2.6148972160331345 |
| CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.7752462597402365 |
| N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.4899584794248346 |
| OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.5118833609788744 |
| NC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,-3.4313637641589874 |
| O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1,-2.6532125137753435 |
| CN(Cc1ccccc1)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,-3.255272505103306 |
| CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)o1,-3.531478917042255 |
| CCN(CC)C(=O)c1cc(C2=CC3(CCNCC3)Oc3ccccc32)cs1,-2.342422680822206 |
| CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(C)c1,-3.531478917042255 |
| COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,-3.2671717284030137 |
| COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,-2.6757783416740852 |
| COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,-3.2600713879850747 |
| COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c(n(C)c2ccccc12)C3,-2.8530895298518657 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,-3.1522883443830567 |
| CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc23)C1,-2.0170333392987803 |
| CN1CC[C@]23Cc4c(c5ccccc5n4C)C[C@]2(Cc2ccc(O)cc23)C1,-1.60422605308447 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1c([nH]c2ccccc12)C3,-2.718501688867274 |
| Cn1c2c(c3ccccc31)C[C@@]13Cc4ccc(O)cc4[C@@]1(CCN(CC1CC1)C3)C2,-2.6711728427150834 |
| O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1,0.2518119729937995 |
| CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.2671717284030138 |
| Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,0.1023729087095585 |
| CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.0433622780211294 |
| CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,0.744727494896694 |
| CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,0.3372421683184259 |
| COC(=O)C(C)CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.2304489213782739 |
| CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)O,-1.6720978579357175 |
| CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)OCc1ccccc1,-0.9344984512435676 |
| CC(CCCCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.0222763947111522 |
| CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.3279021420642826 |
| CC(CCCCC(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.4623979978989561 |
| C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3[C@H]1C5,0.3665315444204134 |
| C=CCN1CC[C@]23c4c5ccc(OC(=O)C(C)CCCCCCC(C)C(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@H]6C(C7)N(CC6CCC6)CC8)c4O[C@H]2CCC[C@H]3C1C5,-0.568201724066995 |
| CCC(=O)N(c1ccc(C(C)NC(=O)[C@H]2O[C@@H](c3nc4c(NC5CCCC5)ncnc4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CCN(CCc2ccccc2)CC1,-2.862131379313037 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,0.1549019599857432 |
| O=C1CC[C@@]2(NCC#Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.0132282657337551 |
| O=C(C#Cc1ccccc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.1172712956557642 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.1643528557844371 |
| O=C(C#Cc1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.5740312677277188 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.8709888137605752 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCC#Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.9858753573083936 |
| CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1,-2.686636269262294 |
| CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CCN(Cc3ccccc3)CC2)cc1,-3.702085721435825 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(NC(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.0073209529227447 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-2.6646419755561257 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,-1.8750612633917 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.459241664878082 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)NC)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.673113104238234 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-2.450249108319361 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.8515029527705447 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(CN(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.619302075875608 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(CO)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.580810972660946 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(CN)c2)C2CCN(Cc3ccccc3)CC2)cc1,-2.919601023784111 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.1878026387184195 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.574031267727719 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-3.074816440645175 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1,-1.944482672150169 |
| Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,0.1487416512809247 |
| Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.7323937598229685 |
| COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,0.5086383061657274 |
| COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,-0.3979400086720376 |
| Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-1.2041199826559248 |
| c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,0.585026652029182 |
| COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,1.585026652029182 |
| c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,1.0969100130080565 |
| c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.2304489213782739 |
| COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,0.2146701649892329 |
| c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.2304489213782739 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13,0.4685210829577448 |
| O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,0.2365720064370627 |
| O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.041392685158225 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13,-1.041392685158225 |
| O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-0.5910646070264992 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13,-1.230448921378274 |
| O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-1.3617278360175928 |
| O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.380211241711606 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc13,-1.1760912590556811 |
| OCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-2.5563025007672873 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc13,-2.278753600952829 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2c(cc13)OCN(Cc1ccccc1)C2,-2.041392685158225 |
| O/N=C\c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.5797835966168101 |
| NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-2.462397997898956 |
| CCCNCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-2.5185139398778875 |
| Oc1cc2c(cc1CNCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,-0.8325089127062363 |
| Oc1cc2c(cc1CNCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,-1.8808135922807911 |
| Oc1cc2c(cc1CNCCCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,-1.380211241711606 |
| CCN(CCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-2.204119982655925 |
| CCN(CCCCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.806179973983887 |
| CCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-2.255272505103306 |
| Oc1cc2c(cc1C(O)CCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,-1.869231719730976 |
| Oc1cc2c(cc1C(O)CCCCCCCCCCC(O)c1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,-1.5440680443502757 |
| CCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.230448921378274 |
| CCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.5563025007672873 |
| OCCCCCCCCCCC(O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.5563025007672873 |
| O=C(CCCCC(=O)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.5563025007672873 |
| CCC(=O)N(CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C)C1CCN(CCc2ccccc2)CC1,-3.815776920298363 |
| COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@@]231,-1.4313637641589874 |
| COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213,-1.4771212547196624 |
| CN1CC[C@]23c4cccc(O)c4O[C@H]2CCC[C@@H]3C1,-3.946452265013073 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1,-2.311753861055754 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,-3.09725730969342 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccs3)CC2)cc1,-2.257678574869185 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccco3)CC2)cc1,-2.060697840353612 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1,-2.103803720955957 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1,-2.2479732663618064 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1,-2.673941998634088 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1,-2.2095150145426308 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccc(C)cc3)CC2)cc1,-1.792391689498254 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CC(C)c3ccccc3)CC2)cc1,-2.8115750058705933 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1,-1.944482672150169 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CC3)CC2)cc1,-2.100370545117563 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCC3CCCCC3)CC2)cc1,-2.460897842756548 |
| C=CCCN1CCC(N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1,-2.113943352306837 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1,-1.9395192526186185 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ncc[nH]3)CC2)cc1,-3.647871765306233 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1,-3.1136091510730277 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1,-3.403635189790548 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1,-3.292920299600006 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1,-3.2030328870147105 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccccc3)CC2)cc1,-3.3234583668494677 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3c[nH]cn3)CC2)cc1,-2.4899584794248346 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1,-3.190051417759206 |
| CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3nccn3C)CC2)cc1,-2.887617300335736 |
| CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,-0.3654879848908996 |
| CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,-0.6963563887333322 |
| C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCc1ccccc1,-0.6589648426644349 |
| N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCc1ccccc1,-1.749968083509403 |
| COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4,-3.86123561863404 |
| CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1,-1.8228216453031043 |
| CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1,-2.57978359661681 |
| CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,-1.5440680443502757 |
| CCN(C)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,-1.7160033436347992 |
| CC(C)(O)c1ccc(C2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1,-2.041392685158225 |
| CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12,-2.5490032620257876 |
| CC[C@@]12CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1Oc1c(O)cccc12,-2.8260748027008264 |
| CC[C@@]12CCN(C)C[C@@H]1Oc1c(O)cccc12,-2.9003671286564705 |
| CN1CC[C@@]2(CCc3ccccc3)c3cccc(O)c3O[C@H]2C1,-2.869231719730976 |
| CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c(O)cccc12,-3.2121876044039577 |
| CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c(O)cccc12,-3.669316880566112 |
| Oc1ccc2c(c1)C1CCN(CCc3ccccc3)CC1O2,0.0457574905606751 |
| Oc1ccc2c(c1)C1CCN(CC3CC3)CC1O2,-0.6020599913279624 |
| c1cc2c(cc1OCCCOc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.8512583487190752 |
| OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.0222763947111522 |
| OC(COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)CC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.0791812460476248 |
| OC(CCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.230448921378274 |
| OC(CCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.0791812460476249 |
| OC(CCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.505149978319906 |
| OC(CCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.6812412373755872 |
| OC(CCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.380211241711606 |
| OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4c(c3)[C@@]35CCCC[C@H]3[C@@H](C4)N(CC3CCC3)CC5)cc2)cc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.619788758288394 |
| c1cc2c(cc1OCC1CO1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.8633228601204559 |
| CCCCCCCCC(O)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.8692317197309762 |
| CCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.6777807052660807 |
| CCCCCCCCCCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.845098040014257 |
| OC(COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.8129133566428556 |
| O=C(C1=CCCN2CCC[C@@H]12)c1ccccc1O,-4.690196080028514 |
| Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12,-3.505149978319906 |
| Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12,-4.113943352306837 |
| CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,-2.428134794028789 |
| CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O,-1.146128035678238 |
| CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O,-0.7634279935629373 |
| CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O,-1.2787536009528289 |
| CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O,-0.8633228601204559 |
| CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,-2.05307844348342 |
| CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O,-3.5020172148271476 |
| CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21,-2.7218106152125467 |
| CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,-2.0293837776852097 |
| CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,-0.3424226808222063 |
| CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O,-0.041392685158225 |
| CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21,-1.4313637641589874 |
| CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,-2.5390760987927767 |
| CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O,-1.0791812460476249 |
| CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O,-0.7160033436347992 |
| CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,-1.3222192947339193 |
| CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,-2.03342375548695 |
| CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21,-0.568201724066995 |
| CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21,-2.0791812460476247 |
| CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21,-2.1398790864012365 |
| CNC(=O)Cn1c(=O)n(C2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21,-1.8260748027008264 |
| CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21,-3.4324882557705063 |
| CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21,-3.2748503200166645 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21,-2.103803720955957 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3(C)C)CC2)c2ccccc21,-1.6720978579357175 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21,-1.8864907251724816 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21,-2.450249108319361 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3(C)C)CC2)c2ccccc21,-2.5440680443502757 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC4(CCCCC4)C3)CC2)c2ccccc21,-1.5314789170422551 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21,-1.041392685158225 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,-2.783903579272735 |
| CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21,-3.2538224387080734 |
| COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2[125I])cc1,-3.1749315935284423 |
| O=CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-2.6232492903979003 |
| CCC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1,-2.8129133566428557 |
| CC(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,-1.899984562549391 |
| CC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,-2.800001827817969 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCC2CCCCC2)cc1,-1.599992177584098 |
| CCCCCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,-1.7000110623221123 |
| CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1,-1.7000110623221123 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2=CCCCC2)cc1,-1.4000196350651586 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccs2)cc1,-1.4000196350651586 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCc2cccc(F)c2)cc1,-2.0 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccc(F)c2)cc1,-1.4999618655961902 |
| CC1(C)CCC(NCc2ccc(N3CCCc4cc(C(N)=O)ccc43)cc2)CC1,-1.0 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)cc1,-0.7000110623221123 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccc(F)cc3C2)cc1,-1.1000257301078626 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCC2CCOCC2)cc1,-2.099991233544684 |
| NC(=O)c1ccc2c(c1)CCCN2c1cccc(CNCCC2=CCCCC2)c1,-1.7000110623221123 |
| NC(=O)c1ccc2c(c1)CCCN2c1cccc(C(=O)NCCC2=CCCCC2)c1,-3.2999994961169836 |
| Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNC1Cc2ccccc2C1,-0.899984562549391 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1,-0.899984562549391 |
| NC(=O)c1ccc2c(c1)CCCN2c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1,-1.4000196350651586 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(C(F)(F)F)c1,-1.7000110623221123 |
| NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1,-1.2000292665537704 |
| Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(C(N)=O)ccc21,-0.2000292665537703 |
| Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(C(N)=O)ccc21,-1.1000257301078626 |
| Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNCCC1=CCCCC1,-2.0 |
| C1=C(CCNCc2ccc(N3CCCc4ccccc43)cc2)CCCC1,-2.60000308662774 |
| FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,-2.6589648426644352 |
| OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1,-2.303196057420489 |
| OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1,-2.1072099696478683 |
| CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1,-2.359835482339888 |
| OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1,-2.250420002308894 |
| OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1,-2.4800069429571505 |
| O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1,-1.2041199826559248 |
| Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N(C)C,-3.361727836017593 |
| C[C@H]1CN(CC2CC2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1,-0.2430380486862944 |
| Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-0.4313637641589873 |
| Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1,-0.380211241711606 |
| CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-0.4771212547196624 |
| CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-0.6720978579357175 |
| FC(F)(F)CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-1.3222192947339193 |
| CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-1.230448921378274 |
| CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-1.7558748556724917 |
| c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,-2.255272505103306 |
| c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,-1.0 |
| COc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,-0.9590413923210936 |
| Oc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,-0.99563519459755 |
| CCNC(=S)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-2.113943352306837 |
| c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)nc1,-2.785329835010767 |
| c1c2c(cc3sc(NN4CCNCC4)nc13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,-3.4313637641589874 |
| CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-1.0 |
| CC(=O)N(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-2.041392685158225 |
| CCN(C(C)=O)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-1.9344984512435677 |
| CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,-0.255272505103306 |
| CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1,-0.041392685158225 |
| CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-0.8692317197309762 |
| CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-1.1760912590556811 |
| CCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-0.6020599913279624 |
| CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-1.380211241711606 |
| CN(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF,-1.8808135922807911 |
| c1c2c(cc3sc(NCCCCCCCCCCNc4nc5cc6c(cc5s4)C[C@@H]4[C@@H]5CCCC[C@]65CCN4CC4CC4)nc13)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CC1,-0.3979400086720376 |
| O=C(CCCCCCCCC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1,-0.9444826721501688 |
| C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(O)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0.0861861476162833 |
| O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,1.0506099933550872 |
| C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCC[C@@]6(OC)[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0.2596373105057561 |
| CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13,0.8239087409443188 |
| CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13,0.585026652029182 |
| CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13,0.8538719643217619 |
| O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1,-2.280008953108186 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc(I)c1,-0.3979400086720376 |
| C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,0.1549019599857432 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NC(=O)c2cccc(I)c2)CC[C@@]3(O)[C@H]1C5,-0.2430380486862944 |
| C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O,-0.3256524705723132 |
| C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,-0.061954844073114 |
| CS(=O)(=O)Nc1cccc([C@H]2[C@@H]3CN(CCCc4ccccc4)C[C@@H]32)c1,-2.225309281725863 |
| C[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCc3ccccc3)C[C@H]21,-0.6807886115066824 |
| CN1C[C@H]2Oc3c(O)cccc3[C@@]23CCC[C@@H]1C3,-2.791690649020118 |
| CN1C[C@H]2Oc3ccc(O)cc3[C@@]23CCC[C@@H]1C3,-3.1760912590556813 |
| CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1,-2.037426497940624 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1,-2.296665190261531 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1,-2.7058637122839193 |
| CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1,-2.5921767573958667 |
| CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,-3.100370545117563 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(F)(F)C2)cc1,-2.8756399370041685 |
| CC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,-2.835056101720116 |
| O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCC(F)(F)C1,-3.003029470553618 |
| C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1,-2.869231719730976 |
| O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1,-1.845098040014257 |
| COC[C@H](C)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,-2.6364878963533656 |
| COC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,-1.9493900066449128 |
| CN(C)CCNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,-2.004321373782642 |
| CC1(CNCc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)COC1,-2.285557309007774 |
| CC1(O)CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)CC1,-1.9731278535996983 |
| O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,-1.8195439355418688 |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1,-2.315970345456918 |
| O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)cc1)N1CCCC[C@H]1CO,-1.505149978319906 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cn1,-2.9694159123539814 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1F,-2.577491799837225 |
| O=S(=O)(c1ccccc1-c1ccc(CN2CCC(CCO)CC2)c(F)c1)N1CCCCC1,-2.0492180226701815 |
| CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)nc1,-2.8825245379548803 |
| CC(C)(C)CCNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1,-3.1228709228644354 |
| CC(C)CNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,-2.2121876044039577 |
| O=S(=O)(c1ncccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1,-2.8662873390841948 |
| CC(C)(C)CCNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1,-1.591064607026499 |
| CC(C)C[C@]1(c2cccc(O)c2)CCN(CC2CC2)C1,-0.2278867046136735 |
| O=S(=O)(c1ccccc1-c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1)N1CCCCC1,-1.3222192947339193 |
| CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,-0.3304137733491908 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.469822015978163 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.3404441148401183 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.7450747915820575 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.0569048513364727 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.155336037465062 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.1205739312058498 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.021189299069938 |
| c1ccc2sc(SSc3nc4ccccc4s3)nc2c1,-3.1017470739463664 |
| Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,-3.3494717992143856 |
| COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,-2.782472624166286 |
| CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,-3.8880671134074367 |
| CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,-2.9934362304976116 |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,-3.3637999454791094 |
| Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,-3.3273589343863303 |
| OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,-3.9253636673541017 |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,-4.03610966706058 |
| O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-2.9965116721541785 |
| CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,-2.9474337218870508 |
| Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,-2.8639173769578603 |
| CCN(CC)C(=S)SSC(=S)N(CC)CC,-3.153814864344529 |
| CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,-3.370142847051102 |
| CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,-3.766710207262259 |
| C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,-2.9647309210536292 |
| O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,-3.2335037603411343 |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,-3.7570162347313008 |
| 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,-3.767823498007517 |
| C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/N=C2\CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5,-0.399558355699538 |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,-3.3909351071033793 |
| CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,-2.998695158311656 |
| Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,-3.63978521298682 |
| COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,-3.2268575702887237 |
| CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,-4.135673194419237 |
| CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,-3.853819845856763 |
| CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,-4.424979586745809 |
| 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,-3.5918434112247843 |
| O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,-2.678518379040114 |
| CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,-1.977723605288848 |
| NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3ccccc3)cc2)nc1,-2.3654879848909 |
| NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1,-1.5976951859255124 |
| FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,-2.682145076373832 |
| FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21,-2.781755374652469 |
| CN1C2CCC[C@@](c3cccc(O)c3)(C2)[C@@H]1CO,-2.4983105537896004 |
| CN1CC2(OCCO2)[C@]2(c3cccc(O)c3)CCC[C@H]1C2,-1.3424226808222062 |
| C[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21,0.2557070168773236 |
| CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC(O)Cc3ccccc3)C[C@H]21,-0.6580113966571124 |
| CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3O)C[C@H]21,1.0457574905606752 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](/C=C\c3ccoc3)C[C@]21C,-3.4149733479708178 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3)C[C@]21C,-3.173186268412274 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC)c3)C[C@]21C,-3.4899584794248346 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3O)C[C@]21C,-3.5563025007672873 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC(F)(F)F)c3)C[C@]21C,-3.681241237375587 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(C(F)(F)F)c3)C[C@]21C,-3.531478917042255 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccco3)C[C@]21C,-3.991226075692494 |
| COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccsc3)C[C@]21C,-3.403120521175818 |
| CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,-2.204119982655925 |
| CN1CC[C@]23c4c5ccc(NCc6ccc(O)cc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-1.6434526764861874 |
| CN1CC[C@]23c4c5ccc(NCc6cccc(O)c6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-0.8450980400142568 |
| CN1CC[C@]23c4c5ccc(NCc6ccccc6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-1.1139433523068367 |
| COc1ccc(CNc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@]425)cc1,-1.7781512503836436 |
| COc1cccc(CNc2ccc3c4c2O[C@H]2[C@@H](O)C=C[C@H]5[C@@H](C3)N(C)CC[C@]425)c1,-1.6532125137753435 |
| COc1ccccc1CNc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,-0.9294189257142929 |
| COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,-0.9777236052888476 |
| Oc1cccc(CNc2ccc3c(c2)C[C@@H]2[C@@H]4CCCC[C@]34CCN2CC2CC2)c1,-2.1760912590556813 |
| CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.505149978319906 |
| CN(Cc1cccc(O)c1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.230448921378274 |
| CN(Cc1ccc(Cl)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.414973347970818 |
| COc1ccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.9777236052888476 |
| COc1cccc(CN(C)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,-1.1139433523068367 |
| COc1ccccc1CN(C)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-1.146128035678238 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13,0.3767507096020995 |
| Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1,0.5528419686577808 |
| Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,0.7958800173440752 |
| Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-0.2787536009528289 |
| Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,0.4559319556497244 |
| Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,0.494850021680094 |
| Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.2304489213782739 |
| O=[N+]([O-])c1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,0.3665315444204134 |
| c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC4)OCO2,0.7695510786217261 |
| COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1,0.2924298239020636 |
| COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-0.0791812460476248 |
| c1cc2c(cc1CNc1ccc3c(c1)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)OCO2,0.4685210829577448 |
| Clc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,-0.2304489213782739 |
| COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1,0.0655015487564322 |
| COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1,0.1611509092627447 |
| COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,-0.4313637641589873 |
| CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13,-0.8976270912904414 |
| CCOc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,-1.4742162640762553 |
| CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1,-2.598790506763115 |
| CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2cnccn2)CC1,-2.3710678622717363 |
| Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1,-2.502427119984433 |
| CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1,-2.376576957056512 |
| Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,-2.143014800254095 |
| Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1,-1.9143431571194407 |
| CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CC2CCC(C1)C2c1ccccc1,-1.4533183400470375 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,-1.1702617153949575 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O,-1.7781512503836436 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,-2.230448921378274 |
| C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1,-3.041392685158225 |
| C[C@H](C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O)N1Cc2cc(O)ccc2C[C@H](N)C1=O,-3.4313637641589874 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,-1.173186268412274 |
| CC(C)C[C@H](CN(C=O)[C@H](Cc1ccccc1)CN(C=O)CCN(C=O)CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)NS(C)(=O)=O,-2.6020599913279625 |
| CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,-0.5877109650189114 |
| CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,0.1366771398795441 |
| CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O,-2.12057393120585 |
| CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.2041199826559248 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc2ccccc2c1,-1.437750562820388 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc2ccccc12,-1.414973347970818 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccoc1,0.562249437179612 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1,0.6556077263148893 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc2c(c1)OCO2,-0.888179493918325 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(OC)cc1,-0.6839471307515121 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1Cl,-0.7387805584843692 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc(Cl)c1,-0.5428254269591799 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-0.8524799936368563 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.136720567156407 |
| C=C(C(N)=O)[C@@H](NC(=O)C(=C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)c1ccccc1,-1.1958996524092338 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,0.2716462179787715 |
| C=C(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1,-2.012837224705172 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,-1.9319661147281728 |
| CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-1.1903316981702914 |
| NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,-0.7708520116421442 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,0.8446639625349383 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(O)[C@H]1C5,-2.361727836017593 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.7075701760979365 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C=C4[C@@H](C2)N(CC2CC2)CC[C@]431,-1.1139433523068367 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)CCc2ccccc2)[C@H]1C5,0.0268721464003013 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)Cc2ccccc2)[C@H]1C5,-0.1553360374650618 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)c2ccccc2)[C@H]1C5,-1.9242792860618816 |
| O=C(CCc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.4116197059632301 |
| O=C(Cc1ccccc1)O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-0.0170333392987803 |
| O=C(O[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,-2.2833012287035497 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCCCc2ccccc2)[C@H]1C5,0.2676062401770315 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC/C=C/c2ccccc2)[C@H]1C5,0.3872161432802645 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCc2ccccc2)[C@H]1C5,-0.6711728427150833 |
| CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,-0.8970770032094203 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.6133131614554597 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.4814426285023049 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.9253120914996495 |
| CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-1.6222140229662954 |
| CN1CCC(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)CC1,0.0604807473813814 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncn1,-0.3283796034387377 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnnc1,-0.3159703454569177 |
| O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.1366771398795441 |
| O=C(CCc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.2441251443275086 |
| O=C(Cc1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.0705810742857072 |
| COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.3665315444204134 |
| Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0.2365720064370627 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Br,0.3467874862246563 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1Cl,0.1739251972991735 |
| COc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,0.2218487496163563 |
| Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,0.4089353929735008 |
| N#Cc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1,-0.0969100130080564 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Br)c1,0.2006594505464183 |
| O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccnc(Cl)c1,1.0 |
| CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1,-2.8965262174895554 |
| CCCCN(CCc1ccccc1)CCc1cccc(O)c1,-2.6148972160331345 |
| Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1,-2.733999286538387 |
| Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1,-2.916980047320382 |
| CCCCCN(CCc1ccccc1)CCc1cccc(O)c1,-2.5118833609788744 |
| CCCN(CCc1ccccc1)CCc1cccc(O)c1,-2.7737864449811935 |
| COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,-3.731749883527264 |
| COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,-3.726319612110776 |
| OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1,-3.5333907080175515 |
| OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2,-3.6794278966121183 |
| COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC,-3.103461622094705 |
| COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,-3.3298045221640695 |
| COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,-3.367355921026019 |
| COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53,-3.873553093513619 |
| COc1ccc2cc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)ccc2c1,1.193820026016113 |
| COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c(C)c1,0.638272163982407 |
| COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1C,1.2291479883578558 |
| CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccc(O)c5)cc4)cc3C1(C)CCN2CC1CC1,1.6777807052660807 |
| CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,0.5228787452803376 |
| CC1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3C1(C)CCN2CC1CC1,-0.255272505103306 |
| CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,0.9208187539523752 |
| CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,0.3665315444204134 |
| CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,0.638272163982407 |
| CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1,0.1938200260161128 |
| COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)C2(C)CCN(CC4CC4)C(C3)C2C)cc1,0.9208187539523752 |
| COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1,1.744727494896694 |
| CCOC(=O)N(c1ccccc1)C1CCN(CCn2c(=O)n(C3CC3)c3ccccc32)CC1,-0.4771212547196624 |
| C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)OCC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21,-2.7323937598229686 |
| C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3cc(Cl)ccc3Cl)CC2)c2ccccc21,-1.2787536009528289 |
| C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3cccc(Cl)c3)CC2)c2ccccc21,-1.568201724066995 |
| CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O,-3.7693773260761385 |
| C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccco1,1.3925449767853315 |
| C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1,1.4921441283041692 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1,1.863279432843593 |
| C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1,1.8927900303521317 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cn4)cc3[C@@]1(C)CCN2CC1CC1,0.0861861476162833 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)nc4)cc3[C@@]1(C)CCN2CC1CC1,0.2146701649892329 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccccn5)cc4)cc3[C@@]1(C)CCN2CC1CC1,0.4814860601221125 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5cccnc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,1.193820026016113 |
| C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,1.1870866433571443 |
| COC(=O)CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-3.700011062322112 |
| COC(=O)[C@@H]1C[C@H](OC(=O)CCCC(=O)O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.6599162000698504 |
| CCOC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.859738566197147 |
| COC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.851869600729766 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,-1.2041199826559248 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,-2.2405492482825995 |
| C=CCN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.3617278360175928 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,-0.6989700043360189 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,-0.9030899869919436 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,-0.8450980400142568 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,-1.3424226808222062 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,-1.6901960800285136 |
| Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,-0.9542425094393248 |
| CN1CC[C@@]2(CCc3ccccc3F)c3cc(O)ccc3O[C@H]2C1,-1.9822712330395684 |
| CN1CC[C@@]2(CCc3ccc(F)cc3)c3cc(O)ccc3O[C@H]2C1,-2.220108088040055 |
| CCCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,-1.9590413923210936 |
| CCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,-1.9867717342662448 |
| CCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12,-1.9242792860618816 |
| CN1CC[C@@]2(C)c3cc(O)ccc3O[C@H]2C1,-2.6283889300503116 |
| CN1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.4471580313422192 |
| CN1CC[C@@]2(CCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.6532125137753435 |
| CN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-2.2174839442139063 |
| CN1CC[C@@]2(CCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.8195439355418688 |
| CN1CC[C@@]2(Cc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.7781512503836436 |
| CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12,-0.6020599913279624 |
| O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1,-2.7267272090265724 |
| O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,-1.671820560183249 |
| CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,-1.36679638328673 |
| CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,-1.2111205412580497 |
| CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,-1.2076343673889616 |
| CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,-1.0207754881935578 |
| CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,-0.8819549713396004 |
| CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,-0.7315887651867387 |
| CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,-0.5587085705331657 |
| CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1,-0.5365584425715302 |
| CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1,-0.3692158574101428 |
| CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21,-0.0293837776852096 |
| CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,2.0 |
| CC[C@@H]1CN2CC[C@@]34OCCO[C@@]3(Nc3ccc(F)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,-0.8450980400142568 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2c1,-0.7937903846908186 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cnc2ccccc2c1,-0.0530784434834196 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccc2ccccc2n1,-0.9585638832219674 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cc2ccccc2cn1,-0.5440680443502757 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1,-0.6374897295125107 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccncc1,0.0861861476162833 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1,0.1249387366082999 |
| O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1,-0.1789769472931694 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-0.8195439355418687 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-0.9684829485539352 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-1.1139433523068367 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O,-0.8633228601204559 |
| CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,-3.4913616938342726 |
| CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,-3.204119982655925 |
| CN(C)[C@H]1CCCC[C@@H]1OC/C=C/c1ccccc1,-3.6232492903979 |
| CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1,-3.361727836017593 |
| Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@@H](C[C@H](c4ccccc4)C2)C3)c1,-1.7160033436347992 |
| O=C1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,-1.6020599913279625 |
| CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1C[C@H](c1ccccc1)C2,-1.3617278360175928 |
| CN1CC[C@]2(c3cccc(O)c3)C[C@H](O)C[C@@H]1C2,-1.3424226808222062 |
| Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1,-1.0170333392987805 |
| C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1,-0.8573324964312685 |
| C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2C)C1,-0.6919651027673603 |
| Oc1cccc([C@]23CCN(CCc4ccccc4)[C@H](C2)[C@H]2CCCC[C@@H]2C3)c1,-0.6020599913279624 |
| C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(CCc3ccccc3)[C@@H]1C2,-0.3483048630481606 |
| C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2,-0.173186268412274 |
| CN1CC[C@]2(c3cccc(O)c3)C[C@H]3CCCC[C@@H]3[C@H]1C2,0.0457574905606751 |
| COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,-3.187520720836463 |
| CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41,-3.3273589343863303 |
| COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1,-0.7781512503836436 |
| COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3,-1.0253058652647702 |
| CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2,-0.9822712330395684 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(NC(C)=O)nc1C3,-0.8195439355418687 |
| CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2,1.0705810742857071 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3,-0.8260748027008264 |
| COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,-3.531478917042255 |
| COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC,-3.3096301674258988 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc21,-1.41161970596323 |
| N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O,-2.509202522331103 |
| CCC[C@@H](C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1,-2.9190780923760737 |
| Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1,-1.714329759745233 |
| CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.9637878273455552 |
| CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21,-0.0374264979406236 |
| CC[C@@]1(c2cccc(C(N)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,-0.2624510897304294 |
| CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21,0.1938200260161128 |
| COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.591064607026499 |
| CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-1.6127838567197357 |
| CCO[C@@H](C)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.890421018800914 |
| CCO[C@H](CBr)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-3.5469126431812423 |
| CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-3.187520720836463 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0.9208187539523752 |
| C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,-2.2695129442179165 |
| C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1,-0.8162412999917831 |
| CCOC(=O)C(CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1,-1.423245873936808 |
| CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21,-0.021189299069938 |
| CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21,-1.0086001717619175 |
| CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21,-1.0253058652647702 |
| CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,-0.2944662261615929 |
| CCC1C(=O)N(C2CCN(C(C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21,-2.0 |
| CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21,-1.0086001717619175 |
| CCC1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,-1.5237464668115646 |
| CCC1C(=O)N(C2CCN(CCCCc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21,-2.2247919564926817 |
| CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,-0.0 |
| CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.1487416512809247 |
| CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,-0.505149978319906 |
| CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,-0.6020599913279624 |
| CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C,-0.6232492903979004 |
| CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.6020599913279624 |
| CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,0.619788758288394 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OCCF)C=C[C@@]3(C[C@@H]2[C@@](C)(O)CCc2ccccc2)[C@H]1C5,1.0 |
| CC(C)(O)[C@H]1C[C@@]23CC[C@@]1(OCCF)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,0.619788758288394 |
| O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1,-1.7649229846498886 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,-2.0492180226701815 |
| Oc1ccc2c(c1)[C@]13CCN(CC4(O)CC4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,-2.6180480967120925 |
| Oc1ccc2c(c1)[C@]13CCN(Cc4ccccc4)C[C@@]1(C2)Cc1cc2ccccc2nc1C3,-1.8825245379548805 |
| CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc23)C1,-0.48572142648158 |
| CN1C(=O)CCC2=C1[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,-0.0899051114393979 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(CCC(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,0.5376020021010439 |
| O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1,0.744727494896694 |
| O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1,0.958607314841775 |
| CCOC(=O)Cc1c2c(n(Cc3ccccc3)c1O)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3(O)C2,-1.1205739312058498 |
| CCOC(=O)Cc1c2c(n(Cc3ccccc3)c1O)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(O)C2,-0.9370161074648142 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21,-3.591064607026499 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)C2CCCC(N3CCC(O)C3)C21,-3.633468455579586 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC2CCCC(N3CCCC3)C21,-3.447158031342219 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCNC2CCCC(N3CCC(O)C3)C21,-3.690196080028514 |
| CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C1CCCC2N1CCCC1,-3.707570176097936 |
| CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C1CCCC2N1CCC(O)C1,-3.778151250383644 |
| CCCCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.361727836017593 |
| COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C3C(N4CCCC4)CCCC32)cc1,-2.869231719730976 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)C2CCCC(N3CCCC3)C21,-3.3541084391474008 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)C2CCCC(N3CCCC3)C21,-3.6711728427150834 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cnc[nH]2)C2CCCC(N3CCC(O)C3)C21,-3.643452676486187 |
| O=C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.113943352306837 |
| O=C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,-3.558708570533166 |
| CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.447158031342219 |
| CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.523095838252568 |
| COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@H]21,-3.371990911464915 |
| COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,-3.648360010980931 |
| CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.249198357391113 |
| COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCCC3)CCCC21,-3.342422680822206 |
| COC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2C(N3CCC(O)C3)CCCC21,-3.778151250383644 |
| O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N1,-0.5563025007672873 |
| CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-2.496929648073215 |
| CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-2.629409599102719 |
| CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-0.7558748556724915 |
| CC(=O)N[C@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-1.3180633349627615 |
| CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-2.0569048513364727 |
| CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-2.278753600952829 |
| CC(=O)N[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-1.715167357848458 |
| CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O,-0.6053050461411095 |
| COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.255272505103306 |
| COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.523746466811565 |
| COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-3.450249108319361 |
| COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-1.7160033436347992 |
| C=CC(C)C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.6424645202421213 |
| C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-3.15866398081399 |
| C/C=C/C(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.7323937598229686 |
| C=C(C)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.558708570533166 |
| COC(=O)[C@@H]1C[C@H](OC(=O)C=C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,-2.4533183400470375 |
| C=CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O,-2.9907826918031377 |
| CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1,-0.8061799739838872 |
| C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1,-0.8864907251724818 |
| CN(C)[C@]1(c2ccccc2)CC[C@@]2(CCCc3c4ccccc4[nH]c32)CC1,-0.290034611362518 |
| N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,-0.5301996982030822 |
| N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1,-3.3057811512549824 |
| COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1,-2.837588438235511 |
| N=C(N)NCCNC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,-2.303196057420489 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCF,-1.121559844187501 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCCF,-1.292477593667784 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1,-1.799891684656865 |
| CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCCF)cc2CN1,-1.7598188773748262 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,-2.2013971243204513 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,-0.5910646070264992 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,-0.4913616938342727 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,-0.7634279935629373 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,-0.6232492903979004 |
| Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,-0.7481880270062005 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,-1.57978359661681 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,-2.4683473304121573 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,-1.146128035678238 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,-0.5797835966168101 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,-1.9030899869919435 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,-1.0043213737826426 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,-1.0791812460476249 |
| Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,-0.8864907251724818 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,-1.968482948553935 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,-2.545307116465824 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2,-1.1139433523068367 |
| C=CCN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1,-1.7242758696007892 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,-1.4313637641589874 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2,-1.863322860120456 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,-1.230448921378274 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,-1.6720978579357175 |
| Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,-1.146128035678238 |
| Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1,-2.48572142648158 |
| Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1,-3.912222056532415 |
| Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccccc4)C(C)(C)C)ccc3C2)cc1,-3.2427898094786767 |
| Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.3180633349627615 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-0.146128035678238 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-1.1139433523068367 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-0.6334684555795865 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-0.8195439355418687 |
| CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-0.5797835966168101 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-1.591064607026499 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O,-1.414973347970818 |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O,-0.6989700043360189 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.7160033436347992 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-3.0791812460476247 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-2.0791812460476247 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,0.619788758288394 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.3222192947339193 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.4471580313422192 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-1.1760912590556811 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.7481880270062005 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.505149978319906 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.9444826721501688 |
| CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O,-0.6812412373755872 |
| C=C(C(N)=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccs1,0.2479515521805615 |
| C=C(C(N)=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccsc1,0.2881927709588089 |
| O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1,-1.3569814009931311 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2,0.431798275933005 |
| COc1cccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)c1,-0.5171958979499743 |
| CCC(=O)N(c1ccccc1)C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1,-1.2826221128780626 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(O)nc4O)cc2)c(O)c13,-0.1760912590556812 |
| O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,-1.3259259557714662 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13,0.4089353929735008 |
| C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2,-1.7895807121644254 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)cc1)C2,0.0996328713435297 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O,-3.212453961040276 |
| CO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13,0.2839966563652008 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13,0.8239087409443188 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2,0.1706962271689751 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2,-0.8709888137605752 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2,-0.3738311450738304 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-0.5065050324048721 |
| CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,-0.2304489213782739 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2,0.0915149811213502 |
| C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1,-0.5440680443502757 |
| O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1,-0.7489628612561614 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2,0.0315170514460648 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC/C=C/c1ccccc1)C2,-0.3873898263387294 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13,0.3665315444204134 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc3ccccc13)C2,0.4749551929631549 |
| COc1ccc2c3c1OC1C4(OC)CCC5(CC4COCc4ccccc4)[C@@H](C2)N(C)CC[C@]315,0.1904402853647322 |
| Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1,-1.7708520116421442 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2,-0.1139433523068367 |
| O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1,-1.1061908972634154 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2,-0.1156105116742998 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2,-0.7623033632877684 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2,-0.7037211599270199 |
| NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,-1.3875677794171886 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13,0.2006594505464183 |
| COc1ccc(CN2C=C3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1,-2.3386556655787003 |
| CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,-2.519302849235429 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2,-0.8701111553644009 |
| CCC(=O)N(c1ccccc1)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,-1.9181876613589257 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13,-1.4313637641589874 |
| CCC(=O)N(c1ccccc1)C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1,-1.557507201905658 |
| CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(=O)[nH]c4)cc2)c(O)c13,-0.2041199826559248 |
| CC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1,-1.7634279935629371 |
| Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3,-1.702602841340427 |
| O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3CCc2ccccc2)C1,0.1804560644581313 |
| COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,-2.5327543789924976 |
| CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.9777236052888476 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.7781512503836436 |
| CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-1.4313637641589874 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.0 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.4771212547196624 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.0 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0.3979400086720376 |
| CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.6020599913279624 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.6020599913279624 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,-0.6020599913279624 |
| CO[C@]12C=C[C@@]3([C@@H]4C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,-2.420005284959051 |
| CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,-0.3400473176613932 |
| CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,-0.8699940001217419 |
| C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,-1.0229436096869011 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,-3.4499995483109744 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,-3.2399997928868713 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)O,-1.146128035678238 |
| N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)O,-3.0211892990699383 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,-0.0755469613925307 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0.0268721464003013 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1,0.3010299956639812 |
| NC(=O)[C@H]1CSCSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1,0.3279021420642826 |
| CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5,0.8860566476931632 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)[C@H]1C5,-1.0086001717619175 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1,-0.2329961103921538 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1,-0.5185139398778874 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1,0.0809219076239261 |
| O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCCO1)CC3,0.4202164033831898 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(CO)C(=O)CC[C@@]3(O)[C@H]1C5,-0.505149978319906 |
| NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,1.7958800173440752 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCCC3)C21,-3.3909351071033793 |
| O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)C2CCCC(N3CCC(O)C3)C21,-3.5415792439465807 |
| Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1,-2.534026106056135 |
| c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2,-2.3521825181113627 |
| CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,-1.7649229846498886 |
| CN1C(=O)c2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,-2.3636119798921444 |
| CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,-1.8715729355458788 |
| Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,-1.8375884382355112 |
| Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,-2.143014800254095 |
| Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,-2.459392487759231 |
| Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2,-2.593286067020457 |
| c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2,-1.6910814921229684 |
| c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2,-2.460897842756548 |
| NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1,-2.03342375548695 |
| O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,0.1140736601985689 |
| O=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1,0.1598939055432422 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,-1.3926969532596658 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1c([nH]c2ccccc12)C3,-0.7596678446896306 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3,-0.8573324964312685 |
| Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1cc2ccccc2nc1C3,-1.24551266781415 |
| COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1,-3.380211241711606 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O,0.958607314841775 |
| CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O,-2.506505032404872 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,-1.1760912590556811 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,-1.1760912590556811 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O,-0.9822712330395684 |
| CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,-3.4983105537896004 |
| Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1,-2.8639173769578603 |
| Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1,-3.2430380486862944 |
| CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32,-3.372359582524324 |
| CC[C@H]1C(=O)C[C@@H]2CCN(Cc3cccs3)[C@@H]3CCC[C@H]1[C@@H]23,-2.950364854376123 |
| CC[C@H]1C(=O)C[C@@H]2CCN(CC3CCCCC3)[C@@H]3CCC[C@H]1[C@@H]23,-3.279210512601395 |
| CCCCCCCN1CC[C@H]2CC(=O)[C@H](CC)[C@H]3CCC[C@@H]1[C@H]23,-2.800717078282385 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,1.100015437450609 |
| CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,-1.0 |
| O=C(C1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,-1.0 |
| CCC(CC)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,-1.0 |
| COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,-1.0 |
| O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1,-1.0 |
| CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(C1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(C1CCCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(CCC1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(Cc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(O)CC1(CC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)CCCCC1,-1.0 |
| O=C(O)CC1(CC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)CCCC1,-1.0 |
| O=C(O)C1CCCCC1C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CC(C)(CC(=O)O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(O)CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CCC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(NCc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(Nc1ccc2c(c1)OCO2)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(Nc1cccc(F)c1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CCCCCNC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(NCc1ccc(F)cc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CC1(C)C(CN(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(C(N)=O)c2)C3)C(=O)CO)C1(C)C,-1.0 |
| C[C@H](O)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(Cc2ccccc2)C(=O)CO)c1,-1.0 |
| CS(=O)(=O)CC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(CC2CCCCC2)C(=O)CO)c1,-1.0 |
| CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(O)(C4)C2)C3)C(=O)CO)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(O)(C4)C2)C3)C(=O)[C@@H](O)CO)c1,-1.0 |
| CN(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CCCO)c1,-1.0 |
| CN(C)CC(O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CCN(CC)CC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CC(C)(C)NCC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CN(C)CC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CC(CO)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CN(C)CCCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CC(C)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CN(C)[C@@H](Cc1ccccc1)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)C2(O)CC2)c1,-1.0 |
| CC(C)C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)Cc2ccccc2)c1,-1.0 |
| CN(C)[C@@H](Cc1ccccc1)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CC(C)C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1)C1(O)CC1,-1.0 |
| O=C([C@@H](O)Cc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C([C@@H](O)c1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CS(=O)(=O)Nc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CO)c1,-1.0 |
| CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CCCC1,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CCC(=O)O,-1.0 |
| CCC(CC)C(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CCCCC1,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CC1CCCC1,-1.0 |
| CC(C)CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)Cc1ccccc1,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CCC1CCCC1,-1.0 |
| C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CC1,-1.0 |
| CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(=O)NOP(=O)(O)O)c1)C2)CC1CCC(F)(F)CC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)(F)CC2)C(=O)CO)c1,-0.7044036384610423 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCCC2CCCCC2)C(=O)CO)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCC2CCCCC2)C(=O)CO)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCCc2ccccc2)C(=O)CO)c1,-0.7321644883388879 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2ccccc2)C(=O)CO)c1,0.1999706407558656 |
| O=C(CO)ONC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1,0.8999742698921374 |
| NCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-0.7032913781186614 |
| CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-0.7075488866309402 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)NCc2ccc(F)cc2)c1,-1.0 |
| CCCCCNC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| CCC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2ccccc2)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CO)c1,-0.7032913781186614 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CCC(=O)O)c1,-1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)CO)c1,1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(C(F)(F)F)cc1,-1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(Cl)cc1,-1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(F)cc1,-1.0 |
| CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1,-1.0 |
| O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1,-1.0 |
| CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F,-1.0 |
| CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1,-1.0 |
| O=C(O)C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1,-1.0 |
| O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1,-1.0 |
| COc1ccc(NC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)cc1OC,-1.0 |
| NC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| O=C(Nc1ccc(OC(F)F)cc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1,-1.0 |
| N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](CO)N1,-4.129367595722986 |
| CC(C)(C)OC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,-3.587598729721245 |
| NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.913283901760418 |
| O=C(O)C1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-3.2227164711475833 |
| N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-2.770852011642144 |
| NC(=O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-4.08278537031645 |
| O=C(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.0689276116820716 |
| O=C(O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,-4.108057373783854 |
| O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-3.399673721481038 |
| O=C(O)[C@@H](CO)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.886490725172482 |
| O=C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)N1,-3.5224442335063197 |
| COc1ccc(NC(=O)c2nc3ccccc3n([C@]3(C)C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1,-2.322219294733919 |
| CONC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.8709888137605755 |
| COc1ccc(NC(=O)c2nc3ccccc3n([C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1,-3.4313637641589874 |
| O=C(NCC(O)CO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.5921767573958667 |
| C[C@]12CC[C@H](C[C@H](N3C(=O)C(N[C@@H](CO)C(=O)O)Nc4ccccc43)C1)N2C1CCCCCCC1,-2.625312450961674 |
| O=C(NO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.27415784926368 |
| C[C@@]12CC[C@@H](C[C@@H](n3c(=O)c(C(=O)NCC(=O)O)nc4ccccc43)C1)N2C1CCCCCCC1,-2.6884198220027105 |
| O=C(NC(CO)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.6646419755561257 |
| O=C(O)CNCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.505149978319906 |
| O=C(O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O,-3.0346284566253203 |
| O=C(O)[C@@H](Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1,-3.113943352306837 |
| O=C(O)[C@H](Cc1ccccc1)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.576341350205793 |
| O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-2.859138297294531 |
| O=C1NC(=O)C2(CCN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2)N1,-2.809020720483673 |
| O=C(O)C1CCN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-2.8530895298518657 |
| O=C(O)CNC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.2988530764097064 |
| NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-3.785329835010767 |
| O=C1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCN1,-3.0569048513364727 |
| O=C(O)C(CO)NCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.403120521175818 |
| CC(=O)NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-3.593286067020457 |
| O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-3.716003343634799 |
| NC(=O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O,-4.037426497940624 |
| CC(C)(Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-3.949390006644913 |
| O=C(O)N1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1=O,-3.204119982655925 |
| O=C(O)CN1CC2CN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2C1,-3.3521825181113627 |
| O=C(O)C1CCCN1C(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.167317334748176 |
| O=C(O)C(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,-3.4650852875574327 |
| O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-3.6720978579357175 |
| NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-3.448242412634439 |
| O=C(O)CN(CCO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-4.077077066845761 |
| CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.681241237375587 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.8318697742805017 |
| CC(C)C1CCC(N2[C@H]3CC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1,-3.724275869600789 |
| O=C(O)c1nc2ccccc2n([C@H]2C[C@H]3COC[C@@H](C2)N3C2CCCCCCC2)c1=O,-4.662852233264796 |
| CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.661812685537261 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2Cc3cccc4cccc2c34)c1=O,-3.424881636631067 |
| CC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1,-4.155336037465061 |
| CCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1,-4.210906813654374 |
| CCCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1,-4.7618602094469065 |
| O=C(O)N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-4.228220648868423 |
| O=C(O)c1ccncc1Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.1598678470925665 |
| CN(C(=O)O)[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-3.9507055347738618 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCCC2)c1=O,-3.3138672203691533 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCC2)c1=O,-2.8444771757456815 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CCCC2CCC3)c1=O,-3.535167485114944 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C3CCCC2CCC3)c1=O,-3.012415374762433 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCC2)c1=O,-2.597695185925512 |
| O=C(NC(Cc1c[nH]cn1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.5658478186735176 |
| O=C(NC(Cc1ccccc1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.4872798164430687 |
| CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1,-3.469822015978163 |
| CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,-3.6989700043360183 |
| O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O,-3.113943352306837 |
| O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1,-3.57978359661681 |
| O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.3979400086720375 |
| NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21,-3.5185139398778875 |
| N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,-3.979548374704095 |
| O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-4.450249108319361 |
| O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1,-4.076640443670342 |
| O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-4.240174695019277 |
| O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1,-4.092720644684099 |
| COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1,-4.06707085604537 |
| O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1,-4.136720567156407 |
| O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.342422680822206 |
| CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O,-3.792391689498254 |
| CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1,-2.916453948549925 |
| CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.312388949370592 |
| O=c1c(NCCO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-4.231979026831504 |
| O=c1c(N2CC3CNCC3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.637489729512511 |
| O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.0588054866759067 |
| CC(C)(C)OC(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.0310042813635367 |
| CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.2132520521963968 |
| NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.1451964061141817 |
| O=c1c(N2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.1702617153949575 |
| CS(=O)(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.184691430817599 |
| CN1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,-3.378579576115775 |
| CC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,-3.51560894923448 |
| CC(C)(C)OC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.4992745818922173 |
| Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.0788191830988487 |
| COC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.3641756327706194 |
| CC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.720490068450052 |
| O=C1CN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CCN1,-3.3176455432211585 |
| O=c1c(N2Cc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-4.425322238281249 |
| CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.530967681571915 |
| NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.4824447919182653 |
| CC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.5957166199434245 |
| C=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.7227161674884943 |
| N=C(N)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-2.798650645445269 |
| COC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.387033701282363 |
| COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.7196626830180466 |
| NC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.577491799837225 |
| CS(=O)(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.277609214304091 |
| O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.17260293120986 |
| NC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.8063835018241674 |
| NC(=O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.523876475638131 |
| COc1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1,-2.7972675408307164 |
| O=c1c(N2CCc3ccccc32)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.161667412437736 |
| NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.270911639410481 |
| O=c1c(N2CCc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-2.907948521612272 |
| COC(=O)c1ccc2c(c1)CN(c1nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c1=O)CC2,-2.710117365111816 |
| O=c1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)c[nH]1,-3.600537294364469 |
| COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.1504494094608804 |
| NC(=O)CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.374381698050882 |
| CC(=O)N1CCC(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-3.128722284338427 |
| CS(=O)(=O)N1CCC(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1,-2.8020892578817325 |
| O=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.55108386518578 |
| O=C(O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.703807065274329 |
| CCOC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.1335389083702174 |
| NCC(O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-2.7193312869837265 |
| NC(=O)C1CCCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1,-3.8232785569516703 |
| CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.644635503768153 |
| NC(=O)CNc1nc2ccccc2n(C2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1=O,-3.96773513178388 |
| CN(CC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.5613399414589013 |
| CS(=O)(=O)N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1,-3.182699903336043 |
| O=c1c(NC(CO)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.5179872030250783 |
| COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.3944516808262164 |
| CCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.3998467127129226 |
| O=C(O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.87075494489014 |
| CC(C)(C)OC(=O)N1CC2CN(C(=O)c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,-2.9479236198317262 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.8312296938670634 |
| NC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.0930713063760633 |
| CNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.2362852774480286 |
| O=C(NCC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.43568513794163 |
| COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1,-2.9400181550076634 |
| CN(C)C(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.445136968713304 |
| O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.3312247810207323 |
| CONC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.282848602834645 |
| O=C(NOCc1ccccc1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.281941933440825 |
| O=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,-3.611617110554336 |
| O=C1CN(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1,-3.8298181874388777 |
| N#Cc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.2208922492195193 |
| O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C23CC4CC(CC(C4)C2)C3)CC1,-4.00774777800074 |
| O=C(NO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O,-3.745855195173729 |
| O=c1c(N2CC3CNCC3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1,-2.292256071356476 |
| O=C(O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.085290578230065 |
| O=C(O)CN1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-2.8488047010518036 |
| O=C(O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1,-3.645422269349092 |
| O=C(O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.163757523981956 |
| CN(CC(=O)O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.1383026981662816 |
| CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-1.7795964912578246 |
| CSCCC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-2.8943160626844384 |
| O=C(O)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-2.886490725172482 |
| O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.6020599913279625 |
| CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-2.419955748489758 |
| CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O,-2.655138434811382 |
| O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1,-3.2533380053261065 |
| O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O,-3.0644579892269186 |
| O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)nc1,-3.285557309007774 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC2C4)C3)c1=O,-3.2706788361447066 |
| CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2,-3.447158031342219 |
| O=C(O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)O,-4.570671341310066 |
| CN(C)C1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1,-3.58849580100721 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O,-3.5173278822943734 |
| O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O,-2.6464037262230695 |
| CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CCC(C)C)c1=O,-2.6875289612146345 |
| CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O,-2.204119982655925 |
| CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2,-2.8221680793680175 |
| CC(C)CC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2,-2.598790506763115 |
| CN(CC(=O)O)[C@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCCCCC3)c2=O)C1,-2.8382192219076257 |
| CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CCC3CC2C3(C)C)c1=O,-2.4653828514484184 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CCC(CC2)C3)c1=O,-3.739572344450092 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O,-2.60959440922522 |
| O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O,-4.157577640520729 |
| CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CC[C@@H]3C[C@H](n3c(=O)c(C(=O)O)nc5ccccc53)C4)[C@@H]1C2,-2.8260748027008264 |
| CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2,-3.245265839457461 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNC(=O)[C@H](C)N)C2,-2.2779757462232233 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.5634810853944107 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.1135092748275181 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.6893088591236203 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.5024271199844327 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.4436974992327127 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.2757241303992109 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.7656685547590141 |
| COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.1789769472931694 |
| Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1,-0.9637878273455552 |
| O=C(O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@@H]2CC(=O)O,-2.989979014004387 |
| CN(C)C(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)/C2=C\C(=O)O,-2.9311017456326387 |
| O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-3.74350976472843 |
| NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-3.2227164711475833 |
| O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,-3.8721562727482928 |
| O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,-4.070776462843435 |
| CCOC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-2.708420900134713 |
| NC(=O)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-2.530199698203082 |
| CONC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.3932241163612975 |
| COC(=O)/N=c1\n(CC(N)=O)c2ccccc2n1C1CCN(C2CCCCCCC2)CC1,-3.442636525782232 |
| O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1,-3.0729847446279304 |
| OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,-3.197831693328903 |
| O=C(O)CO/N=C/c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1,-3.1752218003430523 |
| CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-3.264109156305808 |
| O=C(O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,-3.652922887567942 |
| CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,-3.2739267801005254 |
| CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1,-3.4781334281005174 |
| O=C(O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-3.636989101812229 |
| O=C(O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-3.477555332198981 |
| c1ccc2c(c1)nc(-c1c[nH]cn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-2.716003343634799 |
| c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1,-2.7234556720351857 |
| Cn1cc(Cl)c(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)n1,-2.9786369483844743 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2,-1.8274985081334587 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3c(cc1Cl)OCO3)C2,-2.2112273656299823 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C)cc1)C2,-2.384317564991264 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.9800033715837464 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.359835482339888 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.1335389083702175 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.3242824552976926 |
| COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CC[N+](C)(CC2CC2)[C@@H]4C6)cc1,-2.7358702489615547 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2,-3.173180438917017 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccoc1)C2,-3.764250875438773 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-1.6732052817790453 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3ccccc3o1)C2,-2.4397273276437894 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2,-2.2611914720503696 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccsc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-1.3854275148051305 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1F)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.6541765418779605 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.6334684555795865 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.7283537820212285 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5,-0.7965743332104297 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(F)F)cc1)C2,-2.4181852429395643 |
| COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccco1)C2,-2.756385042380897 |
| CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12,0.0222763947111522 |
| CN(C)C1(c2ccccc2)CCC2(CC1)SCCc1c2[nH]c2ccccc12,-0.4913616938342727 |
| CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12,-0.3856062735983122 |
| CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(c1ccccc1)(N(C)C)CC2,-0.5185139398778875 |
| COc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1,-0.3010299956639812 |
| CC1Cc2c([nH]c3ccc(Br)cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1,-1.146128035678238 |
| CC1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1,-1.1986570869544226 |
| CN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12,-0.8573324964312685 |
| CN(C)C1(c2cccc(F)c2)CCC2(CC1)OCCc1c2[nH]c2ccccc12,-0.3222192947339193 |
| Cc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1,-0.4313637641589873 |
| CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12,-0.0791812460476248 |
| Cc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)(N(C)C)CC1,-1.1760912590556811 |
| CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2cc(F)ccc12,-1.230448921378274 |
| CC(=O)N1CCc2c([nH]c3cc(F)ccc23)C12CCC(c1ccccc1)(N(C)C)CC2,-0.2304489213782739 |
| CC1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1,0.3010299956639812 |
| CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12,0.1549019599857432 |
| CC1Cc2c([nH]c3ccc(F)cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1,-1.7853298350107671 |
| Cc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(c2ccccc2)(N(C)C)CC1,-1.146128035678238 |
| CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(Br)cc12,-1.2787536009528289 |
| CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12,-0.041392685158225 |
| COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1,-0.3617278360175928 |
| CN(C)C1(c2ccccc2)CCC2(CC1)NC(CO)Cc1c2[nH]c2ccccc12,-0.4313637641589873 |
| CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12,-0.8325089127062363 |
| CN(C)C1(c2ccc(F)cc2)CCC2(CC1)c1sc3ccccc3c1CC[S+]2O,-1.7634279935629371 |
| CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12,0.2218487496163563 |
| NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,0.5528419686577808 |
| C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1,0.958607314841775 |
| C=C1CC[C@H]2[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1,1.013228265733755 |
| NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3,1.013228265733755 |
| NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0.9208187539523752 |
| CC(C)=CCN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,0.2518119729937995 |
| C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC=C(C)C)C1,0.3010299956639812 |
| C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CCC1,0.721246399047171 |
| CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1(C)CC1,0.0861861476162833 |
| CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O,-0.6627578316815741 |
| COCCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,0.958607314841775 |
| CC1C2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1(C)CC1,-0.0791812460476248 |
| C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)nc5)cc4)cc3[C@@]1(C)CCN2CC1CC1,0.1674910872937636 |
| C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5cn[nH]c5)cc4)cc3[C@@]1(C)CCN2CC1CC1,0.5686362358410126 |
| O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6cccnc6)cc5)c(O)c4[C@@]2(CCN3CC2CC2)C1,0.431798275933005 |
| C[C@@]12CCCCC[C@@H](Cc3ccc(C(N)=O)cc31)[C@@H]2N,-0.4232458739368078 |
| CN1CC[C@]23c4cccc(C(N)=O)c4O[C@H]2CCC[C@H]3C1,-1.3617278360175928 |
| CCCCCCN1CCC(C(=O)N(C)CC)(c2cccc(O)c2)CC1,-0.6434526764861874 |
| C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13,1.080921907623926 |
| C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13,-0.0791812460476248 |
| COCCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C,0.9208187539523752 |
| NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3,1.0087739243075051 |
| NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3,1.0 |
| C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1,1.3010299956639813 |
| CO[C@@H]1C([C@](C)(O)C(C)(C)C)[C@H]2CC[C@@]13Oc1c(O)ccc4c1[C@@]31CCN(CC3CC3)[C@H](C4)C21,0.3872161432802645 |
| O=C(O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O,-3.5826314394896364 |
| N[C@]12CCC[C@H](C[C@H](n3c(=O)c(C(=O)O)nc4ccccc43)C1)N2C1CC2CCCC(C2)C1,-3.6055205234374688 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@](O)(CC(O)CO)c1ccccc1)C2,-1.697926444806505 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C)C(N)=O)c1ccccc1)C2,-1.886772643054438 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C(=O)O)c1ccccc1)c1ccccc1)C2,-2.444809605172975 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)C2,-2.0889153466049057 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5,-0.6190933306267428 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5c4[C@@]3(CCN1C)[C@H]2O5,-0.3117538610557542 |
| C=Cc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-1.2137832993353042 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1C)[C@H]2O5,-0.6444385894678386 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccc(-n3ccnc3)cc1)C2,-1.199480914862356 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2,-2.1727488389827436 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2,-1.6987962517904311 |
| CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5,-1.5618166643189575 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2,-2.0646825662285115 |
| CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.0315170514460648 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2,-3.1886669850700677 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2,-3.529708757732929 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2,-2.2748041896345614 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.2410481506716444 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5c4[C@@]3(CCN1C)[C@H]2O5,-1.316808752053022 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5c4[C@@]3(CCN1C)[C@H]2O5,-2.123753668755841 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-1.3159703454569178 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.6924944075030843 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1C)[C@H]2O5,-2.167169590408631 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1C)[C@H]2O5,-1.236789099409293 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5,-0.1238516409670858 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1C)[C@H]2O5,-1.734239604435455 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2,-2.483116377774354 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.7986506454452689 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2,-1.9670328821587024 |
| CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.5744942682853276 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2,-0.9547247909790628 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)S(C)(=O)=O)C2,-1.2875778090787051 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)C(C)=O)C2,-1.0715138050950892 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSCc1ccccc1)C2,-0.6711728427150833 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C[S+](O)Cc1ccccc1)C2,-1.1467480136306398 |
| COCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-0.8273692730538252 |
| COCCOCCOCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-1.4300750555519393 |
| COCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,-1.9437911989293015 |
| COCCOCCOCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,-2.1319072427743864 |
| COC(=O)COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,-1.2796669440484556 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OCC(=O)O)cc1)C2,-2.7361653482948944 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-2.5836634358455983 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(=O)O)C2,-2.542862757258637 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(=O)NCC(=O)O)cc1)C2,-2.4888467254737825 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(N)=O)C2,-1.7445276734725663 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(N)=O)C2,-2.3229218695830904 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(CC(=O)O)cc1)C2,-3.002278402016896 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-2.188928483760854 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NC(N)=O)c1)C2,-1.467312062980552 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C2,-1.1550322287909702 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NCC(=O)O)c1)C2,-1.920488564658298 |
| COc1ccc2c3c1O[C@H]1[C@@]4(c5ccccc5)CC[C@@]5(C[C@@H]4COCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315,-1.1169396465507555 |
| COCCOCCOCCOCCOCCO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.1755118133634477 |
| COCCOCCOCCO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.8915374576725645 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cc3nn[nH]n3)cc1)C2,-3.249110266196501 |
| CCCc1cc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)on1,-1.5056925074122 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-2.9294138163373917 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-2.4943633392673084 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-2.247776930697566 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-2.213597436747359 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCc5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.30941722577814 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.9390197764486664 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(CC(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-2.4170230504219647 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)OCc1ccccc1)C2,-0.2455126678141498 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C(=N)N)c1)C2,-1.5537616983900042 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CS(=O)(=O)Cc1ccccc1)C2,-0.8627275283179747 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(O)CO)C2,-2.5332380740602973 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.916611845109346 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(-c5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-2.5300587538214607 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-3.042201298900058 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.0681858617461616 |
| CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.4685210829577448 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@H](C)N)C2,-2.170232370181804 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CO)C2,-2.558408539791075 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)C(C)O)C2,-1.7790912038454991 |
| CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,-0.7339992865383869 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CC(C)C)C2,-0.8836614351536176 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CCC(N)=O)C2,-2.2292465620175608 |
| CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0.721246399047171 |
| CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,0.8239087409443188 |
| CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-0.146128035678238 |
| CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@]2(OC)CC[C@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,-1.17868923977559 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CC#N,-1.7820424166205542 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CCC(=O)O,-2.967042252960224 |
| CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5,-1.3875677794171886 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(O)[C@@H](COCc1ccccc1)C2,-0.5211380837040362 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(NC(C)=O)cc1)C2,-2.192065410979292 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(Cc3nn[nH]n3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2,-2.993854891336049 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(CC(=O)O)c1)C2,-2.6969938180432025 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(O)CO)cc1)C2,-1.7390182458834809 |
| COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,-1.196452541703389 |
| COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,-1.3418300569205104 |
| COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,-1.7046651854545292 |
| COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,-2.8155113373627643 |
| COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,-2.8005521250050065 |
| COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,-2.889408161652576 |
| COc1ccc2c3c1O[C@H]1[C@@H](O)C=CC4[C@@H](C2)N(C)CC[C@@]341,-3.2907022432878543 |
| COCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5,-3.26043155983975 |
| COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5,-3.140844161197092 |
| COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5,-3.629431007457963 |
| COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5,-1.4379090355394983 |
| O=C(O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O,-2.6989700043360187 |
| C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C3)C2,-1.6893088591236205 |
| C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(C(=O)O)C4)nc4ccccc41)C3)C2,-1.4638929889859074 |
| CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(C(=O)O)C4)nc4ccccc41)C2)C3,-1.7331972651065697 |
| C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(CC(=O)O)C4)nc4ccccc41)C3)C2,-1.6374897295125106 |
| CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@@H]2COC[C@H]1C[C@@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C2)C3,-3.45178643552429 |
| CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CCC[C@@H]3C[C@H](n3c(=O)c(N5CC[C@@H]5C(=O)O)nc5ccccc53)C4)[C@@H]1C2,-3.534026106056135 |
| CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CCC[C@@H]3C[C@H](n3c(=O)c(N5CC(C(=O)O)C5)nc5ccccc53)C4)[C@@H]1C2,-2.8715729355458786 |
| O=C(O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)c1=O,-2.413299764081252 |
| O=C(O)CC1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)C1,-2.693726948923647 |
| N[C@@H]1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)[C@@H]1C(=O)O,-1.919078092376074 |
| CN(C)[C@@H]1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)[C@@H]1C(=O)O,-1.7558748556724917 |
| O=C(O)[C@@H]1CCCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O,-2.9633155113861114 |
| CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CCC[C@H]4C(=O)O)nc4ccccc41)C2)C3,-1.9344984512435677 |
| CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5,0.3467874862246563 |
| CCC1O[C@](C)(C(C)(C)C)[C@H]2C[C@@]34CC[C@]2(O1)[C@@H]1Oc2c(O)ccc5c2[C@@]13CCN(CC1CC1)[C@@H]4C5,0.4559319556497244 |
| CCCC1O[C@](C)(C(C)(C)C)[C@H]2C[C@@]34CC[C@]2(O1)[C@@H]1Oc2c(O)ccc5c2[C@@]13CCN(CC1CC1)[C@@H]4C5,0.2676062401770315 |
| CC(C)(C)[C@@]1(C)OC(c2ccccc2)O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5,-0.3541084391474008 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2,-3.7960189693471498 |
| COC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(OC)cc13)C2,-3.9800033715837464 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3,-4.192901826109565 |
| NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2,-2.886547123391106 |
| O=C(O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O,-0.7909884750888159 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)C1[C@@H](O)[C@H](OCc1ccccc1)C(=O)C3,-2.824776462475546 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCO)C(=O)C3,-2.7715874808812555 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCOCc1ccccc1)C(=O)C3,-2.3479151865016914 |
| COCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O,-3.2920344359947364 |
| COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@@H](C(C)C)C(=O)C3,-2.677606952720493 |
| CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1,-1.8481891169913989 |
| CN(C)C1(c2ccccc2)CCC(C(=N)c2cc3ccccc3n2C)(N2CCCC2)CC1,-1.6901960800285136 |
| CN(C)C1(c2ccccc2)CCC(C(=O)c2cc3ccccc3n2C)(N2CCCC2)CC1,-3.0644579892269186 |
| CNC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1,-2.806179973983887 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1,-2.7781512503836434 |
| CC(=O)NCC1(C)CCC(c2ccccc2)(N(C)C)CC1,-2.146128035678238 |
| CN(C)C1(c2ccccc2)CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1,-0.0969100130080564 |
| CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(c2ccccc2)(N(C)C)CC1,-1.6766936096248666 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1,-1.0472748673841794 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1,-0.2671717284030138 |
| CNC1(c2ccccc2)CCC(Cc2ccccc2)(CN(C)C)CC1,-3.0453229787866576 |
| CN(C)CC1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1,-2.3324384599156054 |
| Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12,-2.6127838567197355 |
| CN(C)CC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1,-3.3900514964589874 |
| CNC1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1,-2.7442929831226763 |
| CN(C)C1(c2cccc(F)c2)CCC(C)(CNC(=O)/C=C/c2ccccc2)CC1,-0.255272505103306 |
| CC(NC(=O)/C=C/c1ccccc1)C1CCC(c2cccc(F)c2)(N(C)C)CC1,-2.1156105116742996 |
| CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1,-0.8630252962294704 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)C(c2ccccc2)c2ccccc2)CC1,-1.255272505103306 |
| CNC1(c2ccccc2)CCC(c2ccc(OC)cc2)(N(C)C)CC1,-2.8129133566428557 |
| CNC1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1,-3.0755469613925306 |
| COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1,-2.8228216453031045 |
| CN(Cc1c[nH]c2ccccc12)CC1(C)CCC(c2ccccc2)(N(C)C)CC1,-2.5854607295085006 |
| CNc1nc(NC)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1,-3.0232524596337114 |
| CNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1,-2.869231719730976 |
| CCCC(=O)OC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1,-2.3710678622717363 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(C(F)(F)F)c2)CC1,-0.0791812460476248 |
| COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(N(C)C3(c4ccccc4)CCC(c4ccccc4)(N(C)C)CC3)n2)cc1,-3.380211241711606 |
| COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1,-0.7481880270062005 |
| CNC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1,-2.1903316981702914 |
| Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12,-2.6232492903979003 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1,-0.8558219054060299 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(F)c2)CC1,-1.591064607026499 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCO)CC1,-3.462397997898956 |
| Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12,-2.406540180433955 |
| CN(C)c1nc(N(C)C)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1,-2.406540180433955 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCCCO)CC1,-2.6180480967120925 |
| CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)CCC(=O)O)CC1,-3.9552065375419416 |
| Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12,-3.198657086954422 |
| Cc1ccc(C2(N(C)C)CCC(O)(c3ccccc3)CC2)cc1,-0.4771212547196624 |
| Cc1ccc(C(=O)NCC2NCCc3ccccc32)cc1,-0.8109042806687004 |
| CCc1ccc(C(=O)NCC2NCCc3ccccc32)cc1,-0.667452952889954 |
| Cc1ccc(C(=O)NCC2NCCc3ccccc32)cc1C,-1.561101383649056 |
| O=C(NCC1NCCc2ccccc21)c1ccc(Cl)c(Cl)c1,-1.734799829588847 |
| Cc1ccc(C(=O)NCC2c3ccccc3CCN2C)cc1,-0.7226339225338123 |
| CCc1ccc(C(=O)NCC2c3ccccc3CCN2C)cc1,-0.3560258571931227 |
| Cc1ccc(C(=O)NCC2c3ccccc3CCN2C)cc1C,-1.4885507165004443 |
| CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1,-0.8394780473741984 |
| O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCCc2ccccc2)[C@H]1O5,-2.4955443375464483 |
| O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5,-1.7481880270062005 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)/C(=C/c2ccccc2)C[C@@]3(O)[C@H]1C5,-1.2430380486862944 |
| c1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1,-3.0273496077747564 |
| C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,-0.899984562549391 |
| NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CCCc2ccccc2)c1,-0.902435337772018 |
| CCCCCCCN1[C@@H]2CC[C@@H]1CC(c1cccc(O)c1)C2,-1.0043471726885382 |
| Oc1cccc(C2C[C@H]3CC[C@H](C2)N3CCCOc2ccccc2)c1,-0.2124539610402757 |
| NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CCCOc2ccccc2)c1,-0.5125176356722037 |
| CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(c2cccc(O)c2)C3)cc1,-0.0201540316383329 |
| CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(c2cccc(C(N)=O)c2)C3)cc1,-0.7032913781186614 |
| O=C(CN1[C@@H]2CC[C@@H]1CC(c1cccc(O)c1)C2)C1CCCCC1,-0.0201540316383329 |
| NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CC(=O)C2CCCCC2)c1,-0.9033206446724316 |
| Oc1cccc(C2C[C@H]3CC[C@H](C2)N3CC(O)Cc2ccccc2)c1,-0.7097447109838042 |
| CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1,0.6989700043360187 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,-0.2528530309798932 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CCC[C@@]3(O)[C@H]1C5,-0.2174839442139062 |
| CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,0.494850021680094 |
| CO[C@@]12CCC[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,0.619788758288394 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(OCc2ccccc2)[C@H]1C5,0.3467874862246563 |
| CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CCC[C@@]3(OCc2ccccc2)[C@H]1C5,1.3187587626244128 |
| CO[C@@]12CCC[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,0.4685210829577448 |
| O=C(c1ccccc1)N1C[C@H]2OC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.2027324591692835 |
| O=S(=O)(c1ccccc1)N1C[C@H]2OC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.5114492834995558 |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1Cc1ccccc1)O2,-0.1931245983544616 |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1c1ccccc1)C2,0.0209070993616736 |
| O=C(Oc1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.0830199526796178 |
| O=C(Nc1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.2636034977233575 |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1CC1CCCCC1)C2,-0.3979400086720376 |
| O=C(c1ccccn1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.1390633792999063 |
| O=C(c1ccoc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.3419886033428876 |
| O=C(c1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21,0.2380721615794709 |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1Cc1ccccc1)C2,-0.5365584425715302 |
| Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1c1cnccn1)C2,0.0899094544059318 |
| NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)N1,-0.0606978403536116 |
| NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H](C2)C(=O)N1,0.0457574905606751 |
| NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC[C@H]2C(=O)N1,-0.4996870826184038 |
| NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N1,0.3372421683184259 |
| NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1,0.2518119729937995 |
| O=C1/C(=C/c2ccc(Br)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.7024305364455253 |
| O=C1/C(=C/c2ccc(Cl)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-0.787460474518415 |
| CN(C)c1ccc(/C=C2\C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1,-1.235528446907549 |
| O=C1/C(=C/c2ccc(F)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-1.320146286111054 |
| COc1ccc(/C=C2\C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1,-0.7126497016272113 |
| O=C1/C(=C/c2ccc(I)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-1.2988530764097066 |
| O=C1/C(=C/c2cccc(F)c2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-1.0293837776852095 |
| O=C1/C(=C/c2ccccc2F)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-1.1072099696478683 |
| N#Cc1ccc(/C=C2\C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C2=O)cc1,-1.5145477526602862 |
| O=C1/C(=C/c2ccc(C(F)(F)F)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,-2.2833012287035497 |
| COc1ccc2c3c1O[C@H]1C(=O)/C(=C/c4ccccc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.6981005456233897 |
| Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)c(Cl)c2)c1,-1.5092025223311027 |
| Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)c(F)c2)c1,-1.797959643737196 |
| Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)c(Cl)c2)c1,-2.342422680822206 |
| Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)c(F)c2)c1,-1.4456042032735976 |
| N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,-0.9497070722398088 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,-0.3989810666581311 |
| CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1,-0.4611982886224932 |
| N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,-0.375114684692225 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,0.5692801121367178 |
| C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-1.0791812460476249 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O,0.8239087409443188 |
| CN(Cc1cnn(C)c1)C(=O)NCCN1Cc2ccccc2C1,-3.482873583608754 |
| Nc1nc(Cl)cc(NC[C@@H](O)CN2CCc3ccccc3C2)n1,-4.008600171761918 |
| CN(C)[C@H](CNC(=O)Nc1ccc(C(N)=O)cc1)c1cccs1,-2.6794278966121188 |
| O=C(NCCN1CCc2ccccc2C1)c1ccc(O)c(Cl)c1,-3.110589710299249 |
| CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccs1,-3.392696953259666 |
| Cc1ccc2nc(CNCc3nnc4n3CCCCC4)[nH]c2c1C,-3.9390197764486663 |
| C[C@H](c1ccco1)N(C)CC(=O)N1CCC(C(N)=O)CC1,-3.840106094456758 |
| CN(C)[C@H](CNC(=O)C1CCN(C(N)=O)CC1)c1cccs1,-3.385606273598312 |
| NC(=O)[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1,-4.65991620006985 |
| NC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1,-3.755874855672491 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)O[C@H](CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O,-2.380211241711606 |
| N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0.4436974992327127 |
| COC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,-2.910624404889201 |
| COC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@H](O)C(=O)[C@H]3[C@H]1C5,-3.03342375548695 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N+]2(C)CC1CC1,-1.3622939379642311 |
| C=CC[N+]1(C)CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C,-1.7516639462609866 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1C[C@@]1(CN1CCCCC1)c1ccccc1,-1.6532125137753435 |
| C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@@]1(C)CCN2CC1CCCO1,-3.462397997898956 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(CO)C2,-1.481442628502305 |
| COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@]4(C)OC(C)=O)[C@@H](C2)N(CC2CC2)CC[C@]315,-0.8573324964312685 |
| COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@]4(C)OC(=O)C(C)C)[C@@H](C2)N(CC2CC2)CC[C@]315,-1.5327543789924978 |
| COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@]4(C)OC(=O)c4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315,-1.8686444383948255 |
| COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@]4(C)OC(=O)c4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315,-0.8512583487190752 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C=O)C2,-1.69284691927723 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(O)c1ccccc1)C2,-2.8937062930647133 |
| COc1cccc(C(O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1,-0.7993405494535817 |
| COc1ccc(C(O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,0.3979400086720376 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(O)c1ccc(-c3ccccc3)cc1)C2,-1.230448921378274 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(O)c1ccc(C(F)(F)F)cc1)C2,-1.1038037209559568 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(=O)c1ccccc1)C2,-2.482158695411276 |
| COc1cccc(C(=O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1,-0.6334684555795865 |
| COc1ccc(C(=O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1,-1.5943925503754266 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(=O)c1ccc(-c3ccccc3)cc1)C2,-2.6858312746260635 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)C2,-1.909020854211156 |
| COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(=O)c1ccccc1)C2,-2.1122697684172707 |
| CCCCC(=N)NCCc1ccc2c(c1)C1C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@@H](O6)C1N2,-0.7267272090265723 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.515873843711679 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1,-2.72916478969277 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.9552065375419416 |
| 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,-2.5514499979728753 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1,-1.845098040014257 |
| COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1,-3.916611845109346 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.9380190974762104 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,1.431798275933005 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.8756399370041683 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)Cc1ccccc1,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O,-0.6989700043360189 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O,-0.7895807121644255 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O,0.4685210829577448 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0.2839966563652008 |
| CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N,-3.2999994961169836 |
| O=C(O)c1ccc2c3c([nH]c2c1)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,-1.255272505103306 |
| O=C(O)c1ccc2c3c([nH]c2c1Cl)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3,-1.2787536009528289 |
| CC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,0.0222763947111522 |
| CCC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.146128035678238 |
| Cc1n[nH]c2c1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.380211241711606 |
| Cc1nc(N)nc2c1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-0.9344984512435676 |
| CC(C)NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.5314789170422551 |
| O=C(Nc1ccccc1)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.0 |
| O=C(NCc1ccccc1)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.041392685158225 |
| O=C(C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)N1CCCC1,-0.6020599913279624 |
| COC(=O)C(C)(C)NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-1.2174839442139065 |
| CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)C(=O)O,-1.6637009253896482 |
| COC(=O)C1(NC(=O)C2=C(O)[C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)CC1,-0.2041199826559248 |
| CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)C(=O)NS(C)(=O)=O,-1.9712758487381052 |
| C[C@H](CO)NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-1.287801729930226 |
| Cc1noc(C(C)(C)NC(=O)C2=C(O)[C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)n1,-0.8633228601204559 |
| CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1,-0.041392685158225 |
| N#Cc1ccc(NC(=O)C2=C(O)[C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)cc1,-0.7075701760979364 |
| O=C(Nc1ccccn1)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.9912260756924948 |
| O=C(Nc1ccc2cc[nH]c2c1)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1,-0.380211241711606 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1,-3.3010299956639813 |
| COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1,-3.361727836017593 |
| CN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,-2.57978359661681 |
| CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,-1.6020599913279625 |
| CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCC(=O)NCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,-2.0 |
| CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,-2.123851640967086 |
| CN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,-2.041392685158225 |
| O=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1,-2.727541257028556 |
| O=C1COC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1,-2.640481436970422 |
| O=C1OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1,-2.603144372620182 |
| CCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-0.4771212547196624 |
| CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-0.0 |
| COCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-1.1139433523068367 |
| O=C1C(CO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1,-1.662757831681574 |
| O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1,-1.6020599913279625 |
| COC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-1.9637878273455551 |
| CN(C)C(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-2.803457115648414 |
| CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O,-0.4771212547196624 |
| O=C1N(c2ccccc2)CC2(CCN(CCc3ccccc3)CC2)OC12CC2,-1.1760912590556811 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2Cl)C1=O,-0.4771212547196624 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2F)C1=O,-0.9030899869919436 |
| COc1ccccc1N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O,-1.7558748556724917 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2O)C1=O,-2.7283537820212285 |
| COc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)c1,-2.100370545117563 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccc(O)c2)C1=O,-2.8615344108590377 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccc(O)cc2)C1=O,-2.782472624166286 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccn2)C1=O,-2.9684829485539352 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccnc2)C1=O,-2.482873583608754 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O,-2.482873583608754 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccc(C(F)(F)F)n2)C1=O,-1.9542425094393248 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2F)C1=O,-1.968482948553935 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2C(F)(F)F)C1=O,-2.4183012913197452 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cncc(F)c2)C1=O,-2.3096301674258988 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccc2C(F)(F)F)C1=O,-1.4471580313422192 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cccnc2C(F)(F)F)C1=O,-2.089905111439398 |
| CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cncc(C(F)(F)F)c2)C1=O,-2.416640507338281 |
| CC1OC2(CCN(CCc3ccccc3F)CC2)CN(c2ccccc2)C1=O,-0.7781512503836436 |
| CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(c2ccccc2)C1=O,-1.0 |
| CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(c2ccccc2)C1=O,-1.2787536009528289 |
| CC(=O)Nc1ccccc1CCN1CCC2(CC1)CN(c1ccccc1)C(=O)C(C)O2,-2.278753600952829 |
| CC1OC2(CCN(CCc3cccc(C#N)c3)CC2)CN(c2ccccc2)C1=O,-1.6901960800285136 |
| CC1OC2(CCN(CCc3ccccn3)CC2)CN(c2ccccc2)C1=O,-1.9542425094393248 |
| CC1OC2(CCN(CCc3cccnc3)CC2)CN(c2ccccc2)C1=O,-2.0681858617461617 |
| CC1OC2(CCN(CCc3ccncc3)CC2)CN(c2ccccc2)C1=O,-2.7126497016272113 |
| CC1OC2(CCN(CCc3ccccn3)CC2)CN(c2cnccc2C(F)(F)F)C1=O,-2.103803720955957 |
| C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(c2cnccc2C(F)(F)F)C1=O,-1.041392685158225 |
| C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(c2ncccc2C(F)(F)F)C1=O,-1.5314789170422551 |
| O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2,-2.2430380486862944 |
| CC(C)[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)CC1,-2.781036938621132 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1,-2.575187844927661 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1,-0.380211241711606 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1,-2.8549130223078554 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1,-2.7024305364455254 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1,-2.656098202012832 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(N)CC4)c4ccccc43)CC2)CC1,-3.1166077439882485 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1,-2.48572142648158 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1,-2.988112840268352 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1,-1.8530895298518657 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCNC(N)=S)c4ccccc43)CC2)CC1,-2.3560258571931225 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1,-2.582063362911709 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)[C@@H](N)CCCNC(=N)N)c4ccccc43)CC2)CC1,-2.932980821923198 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1,-2.977266212427293 |
| CCNCC(=O)NCc1cn(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc12,-2.429752280002408 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(C(N)=O)c4ccccc43)CC2)CC1,-2.656098202012832 |
| CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1,-1.7512791039833422 |
| CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1F,-0.9837765880368854 |
| C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C,-0.041392685158225 |
| CC(Cc1ccsc1)NC(=O)NCC(Cc1ccccc1)N(C)C,-1.6232492903979006 |
| CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,-2.0718820073061255 |
| CC[C@@H]1CN2CCc3c([nH]c4cccc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,-2.0211892990699383 |
| CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC,-0.8549130223078556 |
| CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C,-0.5563025007672873 |
| COC1Cc2ccccc2[C@]2(CC[C@@H](N(C)Cc3ccccc3)CC2)O1,-1.255272505103306 |
| Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12,-3.9138138523837167 |
| Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F,-3.973127853599699 |
| FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12,-3.643452676486187 |
| FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12,-3.322219294733919 |
| FC(CCN1CCc2ccccc2CC1)Cc1ccccc1,-2.6085260335771943 |
| NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cccc(O)c1,-1.2766915288450398 |
| Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0.0915149811213502 |
| Cc1cc(O)c(Cl)c(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0.585026652029182 |
| Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(C)c1O,-0.6972293427597176 |
| COc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(OC)c1O,-0.6414741105040995 |
| CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,-2.8721562727482928 |
| CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)(N(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1,-2.631443769013172 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(NS(C)(=O)=O)c(F)c2)CC1,-2.5658478186735176 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)CC1,-2.507855871695831 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)CC1,-1.8819549713396004 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)c(F)c2)CC1,-1.8597385661971468 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CO)c(F)c2)CC1,-2.380211241711606 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccc(O)cc23)CC1,-2.1367205671564067 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2CC(O)CC3)CC1,-2.416640507338281 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3c(c2)OCC3)CC1,-2.3521825181113627 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3[nH]c(=O)ccc23)CC1,-2.380211241711606 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c(=O)[nH]ccc23)CC1,-2.0211892990699383 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cccnc3c2)CC1,-2.220108088040055 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccncc3c2)CC1,-2.2479732663618064 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3cnccc3c2)CC1,-1.230448921378274 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ccncc23)CC1,-2.311753861055754 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3cnccc23)CC1,-2.705007959333336 |
| CN(C)C1(Cc2ccccc2)CCN(c2cc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3ncccc23)CC1,-1.462397997898956 |
| C=C(C(N)=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccco1,1.9625735020593764 |
| C=C(C(N)=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccccc1,1.9625735020593764 |
| C=C(C(N)=O)C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccco1,1.9625735020593764 |
| C=C(C(N)=O)C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)c1ccccc1,1.9625735020593764 |
| CN(C)[C@H](CNC(=O)Nc1cccnc1Cl)Cc1ccccc1,-0.3979400086720376 |
| CCC(CC)CN(CCCCCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,-0.0 |
| CCC(CC)CN(CCCCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,0.1999706407558656 |
| CCC(CC)CN(CCCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,0.1999706407558656 |
| CCC(CC)CN(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,1.0 |
| CCC(CC)CN(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,0.7999707334462297 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCOCC2)C(=O)CO)c1,-1.1000257301078626 |
| CCCCCCN(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO,0.100015437450609 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC2)C(=O)CO)c1,-0.2000292665537703 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)CO)c1,0.5999803649348415 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)c2ccco2)c1,1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2nnn[nH]2)c1,0.400007822415902 |
| CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,0.700057099977233 |
| CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,0.5999803649348415 |
| COC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,0.8999742698921374 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)C(F)(F)F)c1,0.100015437450609 |
| CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,0.8999742698921374 |
| CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1,1.0 |
| NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCNCC2CCCCC2)c1,0.5999803649348415 |
| C[C@H]1CN(CCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,-2.800001827817969 |
| C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1,1.0 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1,0.5000381344038098 |
| C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@H]1c1cccc(O)c1,0.5000381344038098 |
| Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O,-2.996949248495381 |
| Cc1cccc(C)c1N1C(=O)CNC2(CCN(C)CC2)C1=O,-4.0 |
| Cc1cccc(C)c1N1C(=O)[C@H](CO)NC2(CCN(C)CC2)C1=O,-3.2132520521963968 |
| CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1,-2.6532125137753435 |
| OC1(c2ncccn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-2.987666264926274 |
| NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl,-1.3222192947339193 |
| CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21,-1.5440680443502757 |
| CCn1c(=O)n([C@@H]2CCN(C3CCCCCCC3)C[C@H]2CO)c2ccccc21,-1.4913616938342726 |
| Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O,-1.7634279935629371 |
| O=C1NCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12,-0.6127838567197355 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)NCC(c1ccccc1)c1ccccc1,0.3010299956639812 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(C)C(c1ccccc1)c1ccccc1,-2.204119982655925 |
| C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)NC(c1ccccc1)c1ccccc1,-1.9242792860618816 |
| COc1ccsc1CNCC[C@@]1(c2ccccn2)CCC2(CCCC2)OC1,-0.7781512503836436 |
| CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1,-0.6532125137753437 |
| CC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1,-3.2013971243204513 |
| CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1,-0.4471580313422192 |
| CN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1,-0.0569048513364725 |
| CCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1,-1.484299839346786 |
| CCCC(=O)N1CCC2(CCC(c3sccc3C)(N(C)C)CC2)C1,-0.8808135922807914 |
| Cc1ccsc1C1(N(C)C)CCC2(CCN(C(=O)CC(C)C)C2)CC1,-0.6812412373755872 |
| CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1,-0.0 |
| CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1,0.2218487496163563 |
| CN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC3CC3)C2)CC1,-0.6020599913279624 |
| CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O,-2.230448921378274 |
| CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O,-2.361727836017593 |
| CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2,-0.0791812460476248 |
| CN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1,-0.5440680443502757 |
| COc1ccc(C2CCCN2Cc2ccc(Oc3ccc(C(=O)NO)cc3)cc2)cc1,-3.3637999454791094 |
| O=C(NO)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1,-3.4466924663715273 |
| COc1cccc(C2CCCN2Cc2ccc(Oc3ccc(C(=O)NO)cc3F)cc2)c1,-3.6778805815115905 |
| Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc4c(=O)[nH]oc4c3)cc2)c1,-3.170555058521209 |
| O=C(Cc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,-3.93791890264778 |
| O=C(CCc1ccccc1)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)[C@H]1C5,-3.541953474458236 |
| O=C(CCc1ccccc1)N1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13,-3.2533380053261065 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5C5CC5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.130333768495006 |
| Cc1cc(F)ccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.4756711883244296 |
| Cc1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,-2.2810333672477277 |
| Cc1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1,-1.3873898263387294 |
| Cc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-2.3710678622717363 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(F)c(F)c5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.568201724066995 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(F)cc5F)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.2329961103921536 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(F)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.367355921026019 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.1398790864012365 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.3636119798921444 |
| Cc1cccc(C)c1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-2.3961993470957363 |
| COc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.791690649020118 |
| COc1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1,-1.9604707775342989 |
| COc1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,-2.1702617153949575 |
| Oc1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1,-1.110589710299249 |
| CN(C)c1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-0.8432327780980093 |
| CN(C)c1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1,-1.1986570869544226 |
| CN(C)c1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,-0.6720978579357175 |
| CN(C)Cc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.7512791039833422 |
| NC(=O)Nc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-2.1492191126553797 |
| CC(=O)Nc1cccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1,-2.5276299008713385 |
| CC(=O)Nc1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,-2.2013971243204513 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.167317334748176 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccn5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.0211892990699383 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5cccnc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.9175055095525464 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccncc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.6730209071288962 |
| Cc1cc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)ccn1,-0.021189299069938 |
| COc1cc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)ccn1,-1.0293837776852095 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccncn5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.8208579894397 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5cncnc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.6803355134145632 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5cnccn5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.9479236198317265 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5cn[nH]c5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.08278537031645 |
| Cn1cc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cn1,-0.5786392099680724 |
| Cc1nocc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5,-1.9969492484953812 |
| Cc1nnc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)o1,-0.5024271199844327 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccncc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.7299742856995556 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCOc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.913283901760418 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccc6ccccc6n5)[C@@H](C2)N(CC2CC2)CC[C@]314,-2.902546779313991 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccccn5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.5976951859255123 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccncc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.5820633629117087 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccc(F)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.8506462351830664 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCC5CCCCC5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.9790929006383264 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCC5CCOCC5)[C@@H](C2)N(CC2CC2)CC[C@]314,-0.7774268223893114 |
| Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314,-1.964259630196849 |
| CCO[C@@]12Cc3cc(-c4ccccc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,-2.6981005456233897 |
|
|
