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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
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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
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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
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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
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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
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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
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Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2,-2.143014800254095
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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
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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
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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
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