smiles,fa_score
O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCC2(CCCC2)C1,-1.3659522533416748
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1246620416641235
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.883072018623352
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2958221435546875
O=C(CCC1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.525145411491394
O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8371336460113525
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6638457775115967
Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(F)cc1,-0.9997711777687073
CC(C)C[NH+]1CC[C@@H](NC(=O)NC2CCCC2)C1,-1.6176413297653198
O=C(Nc1ccc(O)cn1)[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.1111607551574707
O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](F)C1,-1.635427474975586
COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0367255210876465
Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCC[C@H]3C2)cc1,-1.4389938116073608
O=C(Nc1ccc(O)cc1Cl)c1ccc(N2CCOCC2)cc1,-1.0682344436645508
CC(C)C1CCN(C(=O)[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1,-1.2440811395645142
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0393009185791016
C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CCN1c1ccc(Cl)cc1,-0.45051565766334534
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382993459701538
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1914474964141846
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3814165592193604
O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1Cl,-0.9291785955429077
O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3842750787734985
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1566321849822998
Clc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.151883602142334
C[C@@H](NC(=O)Cc1ccc(Br)cc1)[C@@H](O)c1ccccc1,-1.3900742530822754
Fc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,-0.7211946845054626
CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2)C1,-1.1684075593948364
Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C)c1,-1.0738223791122437
CS(=O)(=O)c1ccccc1CNCc1ccc(I)cc1,-1.3905651569366455
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9106931090354919
O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,-1.2566351890563965
C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0698217153549194
Cc1ccc(-c2ccccc2)c(COc2ccc(N)cc2)c1,-1.3248001337051392
Cc1nn(C)cc1C(=O)NC1CCN(c2ccccc2F)CC1,-0.70461505651474
Cc1ccc(CNC(=O)N2CCc3nc(C)sc3C2)cc1,-0.9035446643829346
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3604702949523926
Cc1cc(NC(=O)C2CCCC2)n(-c2ccc(F)cc2)n1,-1.1331590414047241
c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1,-1.2412856817245483
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)n1,-0.9277338981628418
Cc1ccc(NCc2ccccc2-c2ccc(F)cc2)cc1,-1.361454963684082
C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4560660123825073
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.0910295248031616
O=C(O)c1ccc(CN2CCCN(c3ccccc3)CC2)cc1,-1.4294618368148804
CC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1,-1.0443801879882812
Cc1ccc([C@H]2CCN(C(=O)N[C@@H]3CC[C@@H](C)C3)C2)cc1,-1.325208306312561
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3012360334396362
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3861583471298218
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3679418563842773
Cc1ccc(O)cc1NC(=O)c1cccc(-c2ccccc2)c1,-1.1838146448135376
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCNC2=O)cc1,-1.1552982330322266
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(O)c1,-1.1481995582580566
COc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1,-1.2778282165527344
Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-0.9796665906906128
C[NH+]1CCC([NH+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1,-0.995775043964386
Cn1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cn1,-0.9275678396224976
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2381305694580078
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2692136764526367
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0732167959213257
Cc1ccc(N[C@H](C)c2nc(-c3ccccc3)c(C)s2)cc1,-0.8997451066970825
O=C(Cc1ccc(Cl)s1)N1CC[C@H](C[NH+]2CCOCC2)C1,-1.2712093591690063
C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.998221755027771
O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1)C1CCOCC1,-0.9402042031288147
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044052839279175
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1310940980911255
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Cl,-0.9638242125511169
O=C(Cc1ccc(Cl)cc1)NCc1ccc2[nH]ccc2c1,-1.2469102144241333
O=C(Nc1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCCO2,-1.1869815587997437
Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1202675104141235
O=C(NC[C@@H]1CC2(CCCCC2)CO1)c1cccc(Cl)c1,-1.5101908445358276
O=C(CCC1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5591111183166504
Cn1cc(CC(=O)Nc2ccc(-c3nccs3)cc2)cn1,-1.255597472190857
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749876499176025
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571017026901245
O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1,-1.5298360586166382
CC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.6835200786590576
C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0674985647201538
Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.311293125152588
CC(C)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1,-1.609900712966919
Cc1cccnc1-c1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1,-1.0528993606567383
O=C1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1,-1.241949200630188
C[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3Br)cc2)CC1,-0.9925363063812256
CC(C)(O)[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1F,-0.9862863421440125
Cc1cc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2o1,-1.2126494646072388
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584735929965973
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cn1,-1.0685923099517822
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1csc(-c2ccccc2)n1,-1.0454282760620117
O=C(Nc1ccc(O)cc1)c1ccc(N2CCNC2=O)cc1,-1.2126635313034058
O=C(Nc1cc(F)ccc1Cl)c1cccc(-c2ccccc2)c1,-0.9690502285957336
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1255683898925781
O=C(Nc1cc(-c2ccccc2)on1)N1CC[NH+]2CCC[C@H]2C1,-1.145288109779358
COc1ccc(C(=O)NCc2ccc(C)o2)cn1,-1.6129696369171143
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1357027292251587
CCOc1ccc(NC(=O)c2csc(Br)c2)cc1,-1.4910563230514526
Cc1nn(-c2ccc(Cl)cc2)cc1CNc1ccc(F)cc1,-0.832855761051178
Cc1cc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)on1,-1.117885947227478
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4555416107177734
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8899256587028503
CC(C)CN1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1,-1.5286892652511597
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0663719177246094
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924159288406372
CC[NH+]1CCC(NC(=O)[C@H]2CCCCC23CCC(=O)N3)CC1,-1.3854033946990967
CC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1,-1.1427839994430542
O=C(O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1,-1.4759604930877686
O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.7646730542182922
CC(C)C(=O)N1CCC(NC(=O)N2CCC[C@H](C)CC2)CC1,-1.04120934009552
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599970579147339
COc1nc(C(=O)NCc2ccc(Br)cc2)cs1,-1.321194052696228
Cc1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.1111541986465454
Cc1ccc(NC(=O)c2ccc(N=C(O)c3ccco3)cc2C)cc1,-1.0224517583847046
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.359027624130249
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846761465072632
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.362435221672058
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1602965593338013
O=C(N[C@@H]1CCCC12CCC2)c1ccc(-c2ccccc2)cc1,-1.3209006786346436
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.2192761898040771
CN1C(=O)CC[C@H]1NC(=O)c1ccccc1C1CCOCC1,-1.1614983081817627
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1386209726333618
COc1cccc(CCNC(=O)c2ccccc2O)c1,-1.6107151508331299
O=C(c1ccc(Br)cc1)N1CCN(C(=O)C2CCOC2)CC1,-1.0802357196807861
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2188397645950317
CN1CC[NH+](CC(=O)NCCCc2ccc(Br)cc2)CC1,-1.4575941562652588
O=C(Nc1ccccc1Cl)N1CCOC[C@@H]1c1ccc(F)cc1,-1.003799319267273
Cc1ccc(C(=O)N2CCC(C(O)=NCc3ccccc3)CC2)cn1,-1.0545694828033447
CC(C(=O)Nc1ccc(Cl)cc1)C(O)=NCc1ccc(F)cc1,-1.1283248662948608
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1,-1.0742050409317017
C[NH+]1CC[C@H](NC(=O)[C@H]2CCN(c3cccc(F)c3)C2)C1,-1.1122305393218994
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.1315505504608154
CC(C)C(=O)C(C)c1cccc(NCc2ccccc2)c1,-1.4063612222671509
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1011898517608643
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.086486577987671
C[NH+]1CCC[C@@H]([NH+]2CCCN(C(=O)NC3CCCCC3)CC2)C1,-1.2319185733795166
CN(C)c1ccc(CNC(=O)c2ccc[nH]2)cc1,-1.6080869436264038
O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1031235456466675
CC(C)(C)C(=O)NCC(=O)Nc1ccc(Cl)cc1,-1.5043359994888306
O=C(Nc1ccccc1F)N1CCC(c2cccc(F)c2)CC1,-0.9691547751426697
CC[C@@H](C)C(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1,-0.9628934860229492
O=C(CCc1ccc(Br)cc1)OCCc1ccc(F)cc1,-1.4571280479431152
Cc1cccnc1NC(=O)[C@H]1CCCN(c2cccc(Br)c2)C1,-0.9186192750930786
O=C1NCCC[C@@H]1C(=O)Nc1ccc(-c2ccccn2)cc1,-1.321226716041565
CC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2O)cc1,-1.070239782333374
O=C(NC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1,-1.3412367105484009
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1904085874557495
Cc1ccc(C(=O)Nc2ccccc2C)cc1,-1.6787186861038208
O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2572461366653442
Cc1ccc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1,-0.8968693614006042
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(C)C)C1,-0.9906705617904663
O=C(NCCc1ccccc1Br)N[C@@H]1CCCC[C@H]1F,-1.3430867195129395
CC(C)(C)CC(=O)NCc1ccccc1,-1.7961684465408325
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccc(F)cc2)CC1,-0.9131768941879272
Cc1ccc(F)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-0.9363957643508911
O=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2,-1.5616718530654907
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0126540660858154
O=C(Nc1ncncc1O)c1ccccc1-c1ccc(F)cc1,-0.9073438048362732
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.9146075248718262
O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1,-1.0652774572372437
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0235035419464111
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.1981019973754883
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(O)c1,-1.0954232215881348
CCCCCN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)CC1,-1.4734444618225098
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8127118349075317
Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.0632001161575317
CC(C)C([NH3+])C(=O)c1ccc(OCc2ccccc2)cc1,-1.4845185279846191
O=C(NCc1cccc(F)c1)c1ccc2c(c1)CCCC2,-1.1598576307296753
Cc1ccc(NC(=O)NCC[NH+]2CCCC2)cc1,-1.6769967079162598
CCOCCC1CCN(Cc2ccc(F)cc2)CC1,-1.6504267454147339
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.187458872795105
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.0025042295455933
COC(=O)c1ccc(NC(=O)CCNC=O)cc1,-1.6856530904769897
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46517789363861084
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1905181407928467
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(Br)cc1,-0.991809070110321
C[C@H]1C[C@@H](NC(=O)N2CC(c3ccc(F)cc3)C2)CCO1,-1.2390916347503662
O=C(CCc1ccccc1)NC1CCCN(c2ccccc2)C1,-1.5141974687576294
O=C(C[C@@H](O)c1cccc(Br)c1)NCc1ccc(Cl)cc1,-1.217376947402954
CN(CCNC(=O)c1ccccc1Br)c1ccccc1,-1.4057350158691406
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0329170227050781
O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1,-1.5178399085998535
O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.6784510612487793
Cn1nc(CNC(=O)c2ccc(Cl)cc2)c2ccccc21,-0.8484863638877869
CC(=O)N1CCC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1,-1.3611129522323608
O=C(Nc1ccccn1)C1CCN(c2ccc(F)cc2F)CC1,-0.8659034371376038
C[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(F)c(F)c1,-1.2644309997558594
Fc1ccc(OC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4177688360214233
CN(CC(O)=NNC(=O)c1ccccc1)Cc1ccccc1,-1.564041018486023
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2404013872146606
O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CCOCC1,-0.9082218408584595
Cc1ccc(-c2ccc(Br)cc2NCc2ccccc2)cc1,-1.2683788537979126
c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1,-1.1742591857910156
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4324514865875244
O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0429977178573608
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.1167447566986084
Fc1cc(CN2CC[NH+](CC3CCCCC3)CC2)ccc1Cl,-1.0048292875289917
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.169242262840271
O=C(N[C@H]1CC12CCC2)N1CCN(c2ccccc2)CC1,-1.5433040857315063
C[NH+]1CCC(C(=O)NC(C)(C)CCc2ccccc2)CC1,-1.5366027355194092
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.1231298446655273
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)s1,-1.0219851732254028
Cc1cc(C(=O)N2CCN(Cc3ccc(C)s3)CC2)no1,-1.1153663396835327
CC(=O)Nc1ccc(C(=O)N2CCC(C)(C)CC2)cc1,-1.4102387428283691
Nc1ccc(C(=O)Nc2ccc(-c3ccccc3F)cc2)cc1,-1.055987000465393
O=C(COc1ccccc1)N1CCC(c2ccc(F)cc2)CC1,-1.3300049304962158
Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1,-1.0806564092636108
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5100016593933105
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1905901432037354
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3778795003890991
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9874559044837952
Cc1ccccc1[C@@H](CC(=O)NC1CCCC1)[NH+]1CCOCC1,-1.5071585178375244
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1759319305419922
Cc1ccc(NCc2ccc(Br)cc2)c(-c2ccccc2)c1,-1.142748475074768
CC1CCCN(C(=O)CCc2ccc(OC(C)C)cc2)C1,-1.5115869045257568
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1570923328399658
C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1863762140274048
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Br,-0.8850708603858948
NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4244698286056519
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1,-1.1922672986984253
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1851979494094849
CC1CC[NH+](CCNC(=O)CCc2ccc(Br)cc2)CC1,-1.4500155448913574
CN1CCN(c2ccc(NCc3ccccc3)cc2)C1=O,-1.436307430267334
Cc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.9010159969329834
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.5306141376495361
Cc1ccc(CNC(=O)NC2CCOCC2)cn1,-1.64481782913208
O=C(CCc1ccccc1)N1CCC(Nc2ccccc2)CC1,-1.515561819076538
Fc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1F,-1.0406372547149658
O=C(NC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1,-1.4030479192733765
C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6628949642181396
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9702471494674683
Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1I,-1.2893363237380981
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.9131013751029968
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5727434158325195
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0444135665893555
Cc1cc(NC(=O)N2CCC3(CC2)C[NH+](C)C3)c2ccccc2n1,-0.9107241630554199
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.2801116704940796
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.1935386657714844
C[C@@H]1CCC[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9363062977790833
CN1CC(NCc2ccc(-c3ccccc3)cc2)CC1=O,-1.4410337209701538
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.07000732421875
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.5138192176818848
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1285008192062378
O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.463333249092102
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9276404976844788
C[NH+]1CCC(NC(=O)NCC2CCCCC2)CC1,-1.6420533657073975
CC1(C)CCC([NH+]2CCC(NC(=O)[C@@H]3CCCCO3)CC2)CC1,-1.292383074760437
CCc1ccc(NC(=O)Nc2ccc(C)s2)cc1,-1.6259859800338745
O=C(c1c[nH+]c2ccccn12)N1CCC(C[NH+]2CCCC2)CC1,-1.2228400707244873
Cc1cc(I)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.941283643245697
Nc1ccc(-c2ccc(O)cc2)c(OCc2ccccc2)c1,-1.3575891256332397
O=C(CC[NH+]1CCOCC1)NC1CCN(c2ccccc2)CC1,-1.5160189867019653
CCCNc1ccc(C(=O)N2CCC3(CCC[NH2+]CC3)C2)cc1,-1.4285147190093994
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)nc1,-0.9747640490531921
C[C@@H]1CN(C(=O)Nc2ccccc2N2CCOCC2)CCCO1,-1.462223768234253
C[C@@H]1CCCCN(C(=O)NC[C@H]2CCC23CCCCC3)C1,-1.4517872333526611
[3H]c1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1,-1.1510717868804932
Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n1,-1.1562029123306274
CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0900222063064575
Cc1ccc(N(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1,-1.1262311935424805
O=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccccc2)COC1,-1.4693740606307983
O=C1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1556406021118164
COc1ccc(N2CCN(C(=O)c3ccc(I)cc3)CC2)cc1,-0.9768257141113281
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cn1,-1.0556670427322388
Cc1cc(CNc2ccc(C3CCCCC3)cc2)ccc1Br,-1.0736922025680542
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.3349089622497559
CC(C)(CNC(=O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,-1.4566291570663452
O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1,-1.0725915431976318
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1,-1.2658761739730835
Nc1ccc(NCC2CCN(c3ccccc3)CC2)cc1F,-1.1381675004959106
C[C@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CCN1c1ccccc1,-1.2455071210861206
C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccc(F)c(F)c2)C1,-0.9872791767120361
O=C(CCc1noc(-c2ccc(F)cc2)n1)Nc1ccccc1,-1.3752689361572266
Nc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-0.9988299012184143
CC(C)(O)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2,-1.5117069482803345
Cc1ccc(N(C)C(=O)[C@@H]2CC[NH2+]C[C@H]2c2ccccc2)cc1,-1.0696487426757812
Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)ccc34)CC2)cc1,-0.6878935098648071
Cc1ccc(OCc2cc(O)nc(-c3ccccc3)n2)cc1,-1.2114496231079102
CC(O)CCC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.5175765752792358
O=C(NCc1ccc(Br)cc1)NC1CCOCC1,-1.5681089162826538
Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1,-1.310028076171875
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1O,-1.016699194908142
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.345467448234558
O=C(NCCc1ccc(Br)cc1)N[C@H]1CCOC1,-1.5668816566467285
c1csc(CNCc2ccc(-n3cccn3)cc2)c1,-1.578330636024475
Nc1ccccc1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9071285724639893
Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2[nH]1,-1.1726343631744385
Cc1coc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)c1,-1.3554126024246216
O=C(NC1CCC(F)(F)C1)c1ccc(-c2nccs2)cc1,-1.0351725816726685
Cc1ccc(CNC(=O)CC[NH+]2CCN(C)CC2)c(Cl)c1,-1.1695928573608398
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccccc2O)CC1,-1.1345481872558594
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.9298043251037598
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)nc2C)cc1,-1.004413366317749
O=C1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3770781755447388
Cn1ccc(C(=O)Nc2ccn(-c3ccc(I)cc3)n2)n1,-0.9201575517654419
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4210427403450012
C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCC[NH2+]1,-1.3340612649917603
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.979150116443634
CN1CCC(COc2ccc(N3CCN(C)CC3)cc2)CC1,-1.3861348628997803
O=C(Nc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,-0.8498603105545044
O=C(NC1CCN(c2ccccc2Br)CC1)c1ccc(F)cc1,-0.8750443458557129
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.3263479471206665
O=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)s1,-1.4921400547027588
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0351886749267578
COc1ccc(CNC(=O)c2cc(Cl)[nH]n2)cc1,-1.4015687704086304
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060208082199097
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9748247265815735
CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4240220785140991
Cc1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1,-1.166041612625122
Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1,-1.1437476873397827
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.4658069610595703
Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1,-0.957085907459259
O=C(Cc1nc2ccccc2o1)NCc1ccc(Br)cc1,-1.2313382625579834
Cn1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.1487168073654175
Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1O,-1.318163275718689
CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2371509075164795
O=C(Nc1ncccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.840392529964447
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0652259588241577
Fc1ccc(CNc2ncccc2-c2ccc(Cl)cc2)cc1,-0.9730687141418457
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080661058425903
CC(C)CCC(=O)NCc1csc(-c2ccc(Cl)cc2)n1,-1.0933526754379272
C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[NH+]1Cc1ccccc1,-1.5461223125457764
CC(C)COc1ccc(OCc2ccccc2)cc1,-1.678613305091858
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9482147097587585
Cc1ccc(CC2CCN(C(=O)N3CCCC3=O)CC2)cc1,-1.19040846824646
O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ccccc2)CC1,-1.0094614028930664
C[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1528761386871338
O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.8636195063591003
Cc1ccoc1C(=O)NC1CCN(c2ccc(Cl)cc2F)CC1,-0.7509855628013611
C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.491708517074585
Cc1ccc(CCCCCCNCc2ccc(Cl)cc2)cc1,-1.5608675479888916
Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)cn1,-1.462956190109253
c1ccc(C2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1,-1.1936992406845093
Cn1cc(C(=O)NCc2ccc(N)cc2)c2ccccc21,-1.0893197059631348
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9887467622756958
CC(=O)NCc1cc(Br)ccc1-c1nc2ccccc2o1,-1.0257532596588135
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.10233473777771
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2093307971954346
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8701215982437134
Cc1ccccc1-n1c(C)nnc1NCc1ccc(Cl)cc1,-0.7458616495132446
CC1CC[NH+](CC(=O)NCc2cc3ccccc3[nH]2)CC1,-1.5225892066955566
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.525307059288025
CC(C)(C)CC(=O)NCC1CCN(c2ccccn2)CC1,-1.4440600872039795
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3528269529342651
O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1,-1.3206746578216553
O=C(Cn1c(O)nc2ccccc21)NCc1ccccc1,-1.5000470876693726
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8319718837738037
Cc1cccc(C[NH+]2CC=C(C(=O)N3CC(C)CC(C)C3)C2)c1,-1.031829833984375
Cc1ccc(CC(=O)N2CCN(c3ccc(F)c(N)c3)CC2)cc1,-0.8268951773643494
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(O)cc2)cn1,-1.165905237197876
O=C(NCc1ccccc1)Nc1cccc(I)c1,-1.5256812572479248
Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc(Cl)cc1,-0.4770643711090088
O=C(NCc1ccc(Br)cc1O)NC1CCCC1,-1.4688547849655151
O=C([O-])C1CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)C2)CC1,-1.1544435024261475
CN(Cc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1,-0.9634501338005066
CCC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CCCCO2)CC1,-1.327989101409912
O=C1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2)N1,-1.3006044626235962
O=C(Cc1ccccc1O)N1CCN(Cc2ccccc2)CC1,-1.4641804695129395
CCc1ccccc1CCCC(=O)Nc1ccc(C#N)cc1,-1.396046757698059
Nc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8358132839202881
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0849779844284058
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0116082429885864
CC1CCCCC1C(=O)Nc1ccc(O)cc1-c1ccccc1,-1.1655980348587036
O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O,-0.9080637693405151
C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6619319915771484
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0403422117233276
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.174668550491333
Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3139938116073608
Cc1csc(CNC(=O)Cc2cn(C)c3ccccc23)n1,-0.9032859206199646
O=C(N[C@@H]1CC12CCC2)c1ccc(-c2ccccc2)cc1,-1.4516533613204956
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1176137924194336
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.075086236000061
Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.186874508857727
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3623226881027222
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9580903649330139
c1cncc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1,-1.0071266889572144
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(N)c1,-1.0094431638717651
CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.3463327884674072
O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0565418004989624
c1ccc(COc2cc(-c3ccccc3)nc3ccccc23)cc1,-1.1299901008605957
CC(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.0818383693695068
Oc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.260768175125122
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9409087300300598
O=C(CCc1ccc(Br)cc1F)NCc1cccc(O)c1,-1.179309368133545
Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)cn2)cc1,-1.213465929031372
Cc1ncsc1Cc1ccc(Br)cc1,-1.4327603578567505
CC(O)C1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1,-1.1847176551818848
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(I)cc2)C1,-1.0833872556686401
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0202497243881226
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1982519626617432
Fc1ccc(COc2ccc(-c3ccccc3)cc2)cc1F,-1.2440413236618042
O=C(c1ccccc1O)N1CCN(Cc2ccc(O)cc2)CC1,-1.3797197341918945
O=C(Nc1ccccc1)N1CCN(c2ccccc2)C(=O)C1,-1.4704616069793701
CN1CC[NH+](Cc2ccccc2)[C@H](Cc2ccc(O)cc2)C1,-1.536505937576294
C[C@H]1CC[C@@H](CNC(=O)c2cc(O)nc3ccccc23)C1,-1.094603180885315
Cc1cccnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9354287385940552
O=C(Nc1ccccc1Cl)N1CCO[C@H](c2ccc(F)cc2)C1,-1.0272897481918335
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9607452750205994
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-1.0656417608261108
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1356862783432007
CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2164610624313354
CC(C)(C)NC(=O)N1CCC(c2ccc(F)cc2F)CC1,-0.829439103603363
O=C(NCc1cc2ccccc2o1)N1CCC2(CC1)CC2,-1.4566428661346436
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.7411405444145203
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)nc1,-0.8553512692451477
O=C(NCc1cccc([O-])c1)N1CCOC2(CCCC2)C1,-1.5766735076904297
C[C@@H]1CN(c2ccc(OCC3CCCCC3)cc2)C[C@@H](C)O1,-1.5024257898330688
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1012576818466187
COc1ccc(C(=O)NC[C@@H]2CCC[NH+]2C)cc1,-1.604062795639038
CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1,-1.3550623655319214
CCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1,-1.3892699480056763
Cn1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0112981796264648
Cc1cccc(N(C)C(=O)N2CCC(C(F)(F)F)CC2)c1,-0.9676304459571838
C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2Cl)C1,-0.8494074940681458
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1899642944335938
Fc1ccc(OCC2CCN(c3cccc(F)c3)CC2)cc1,-1.2478675842285156
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0349297523498535
CC[NH+]1CCN(C(=O)C2CCN(c3ccc(N)cc3)CC2)CC1,-0.9940094351768494
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0024853944778442
CCOc1ccc(C(=O)N2CC(C3CCN(C)C3)C2)cc1,-1.2559916973114014
C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cn2)C1,-0.9213149547576904
CC(=O)N1CCC(NC(=O)c2[nH]c3ccccc3c2C)CC1,-0.8435714244842529
Cc1cc(F)cnc1N[C@@H]1CCCN(C(=O)c2ccccc2)C1,-0.9060367941856384
O=C(COc1cccc(Br)c1)Nc1ccc2c(c1)OCO2,-1.3792802095413208
Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccn3)C2=O)cc1,-1.1084949970245361
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2214820384979248
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.106021523475647
O=C(C(O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.485152006149292
Cc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccn2)CC1,-1.4474198818206787
Cc1cc(Br)ccc1NC(=O)c1ccccc1C1CCOCC1,-0.9555985927581787
Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0604290962219238
CCOc1ccc(C(=O)N2CC[C@H](CCC[NH3+])C2)cc1,-1.5626007318496704
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1677643060684204
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(Cl)cc1,-1.2028372287750244
CC1(C)CC(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1,-1.5205744504928589
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(N)c1,-1.0716062784194946
Fc1ccc(CNC2CCN(c3ccc(Cl)cn3)CC2)cc1,-1.0632153749465942
Cc1ccc(NCc2ccc(I)cc2)c(-c2ccccc2)n1,-0.9807413220405579
CC(C)(C)CNC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.2531460523605347
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.1329556703567505
C[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccccc3Cl)C2)CC1,-0.8790678977966309
O=C(Nc1cccc(Cl)c1)N1CCC(N2CCCC2=O)CC1,-0.9957128167152405
NC(=O)c1ccc(F)cc1NC(=O)c1ccc(F)cc1,-1.0300520658493042
Fc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.201413631439209
Cc1cccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1,-1.0934971570968628
O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.5845457911491394
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2535324096679688
Nc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.1599678993225098
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2201203107833862
O=C(NCC(O)=NCCc1ccccc1)c1ccc(Cl)cc1,-1.4713352918624878
Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2865358591079712
CCNC(=O)c1ccc(-c2ccc3c(c2)CC(C)O3)cc1,-1.1591194868087769
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccncc3)CC2)cc1,-1.3828632831573486
Cc1ccc(NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1,-1.1509064435958862
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6701076030731201
O=C(Nc1nc2ccccc2s1)c1ccc(-n2cccn2)cc1,-0.9062517881393433
CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.1137899160385132
CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5984426736831665
CC(C)[NH+]1CCC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1,-1.0284810066223145
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N[C@H]1CC12CCCCC2,-1.286975383758545
O=C(c1cccc(O)n1)N1CCN(CCc2ccccc2)CC1,-1.2797110080718994
CCc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9289035797119141
OC1(c2ccc(Cl)cc2)CCC(NCc2ccccc2)CC1,-1.4771356582641602
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299193382263184
N#Cc1ccc(CNC2CCN(c3ccccc3F)CC2)cc1,-1.0834860801696777
Cc1ccc(OCc2nnnn2-c2ccc(C)cc2C)cc1,-0.9454101324081421
O=Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1,-1.2872569561004639
Cc1ccccc1C1CCC(NC(=O)c2cccc(Cl)c2)CC1,-0.9441864490509033
O=C(NC1CC(F)(F)C1)N1CCC[C@H](c2ccccc2)C1,-1.1809866428375244
COc1ccc(CNCc2ccc(Cl)cc2Br)cc1,-1.2072815895080566
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1,-0.8836074471473694
O=C(Nc1ccccc1O)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.9960105419158936
CC(C)C(=O)N1CCC(C(=O)NCCC(C)(C)C)CC1,-1.180284857749939
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7944909930229187
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0873304605484009
O=C(COc1ccc(F)cc1)NC[C@@H]1CCCO1,-1.723376989364624
Cn1cc([C@@H]2OCC[C@@H]2NC(=O)CC2CCCCC2)cn1,-1.4450255632400513
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1,-0.8579331040382385
CC(C)C(C)(C)NC(=O)C1CCN(c2ccccc2)CC1,-1.2415443658828735
CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](N)C2)cc1,-1.603052020072937
C[C@H]1CCCC[NH+]1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.9227198958396912
O=C1C(NCc2ccc(Cl)cc2)CCN1c1ccccc1,-1.2159074544906616
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)nn1,-0.987190306186676
CCCNC(=O)c1ccc(N2CCOC3(CCCCC3)C2)cc1,-1.4994205236434937
O=C(NCc1ccc(Br)cc1)N1CCC2(CCCC2)CC1,-1.3961925506591797
C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)ccc2O1,-0.6904487609863281
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4264495372772217
Cc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)s1,-1.0456904172897339
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0926306247711182
Cc1ccc(-c2ccc(OCc3ccccc3)cc2C)cc1,-1.5176670551300049
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043299674987793
Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9830717444419861
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.389268159866333
Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3423124551773071
O=C(Nc1ccccc1F)N1CCN(c2ccc(I)cc2)CC1,-0.8656413555145264
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0781702995300293
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccccc1Cl,-0.9279862642288208
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1,-0.8113737106323242
O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5395933389663696
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0650811195373535
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9962342977523804
C[C@@H]1COCCN(C(=O)Nc2ccccc2C(F)(F)F)C1,-1.2707569599151611
Cc1cc(N2CCC(NCc3ccccc3)CC2)nc(C)n1,-0.9927593469619751
COc1cc(Cl)ccc1C(=O)N1CCN(c2ccccc2)CC1,-0.9888857007026672
O=C(Nc1nc2ccccc2s1)N1CC[C@@H](c2ccccc2)C1,-0.9557402729988098
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.428595781326294
C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5044002532958984
Cc1ccc(F)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1,-1.07798171043396
CC(C)Cc1ccc(C(=O)N[C@@H]2CCC3(CC[NH2+]3)C2)cc1,-1.464404821395874
O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.3222278356552124
Cc1ccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.8062475323677063
O=C1CCc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1,-1.3420157432556152
O=C(N[C@H]1CCN(c2ccccc2)CC1=O)c1ccccc1,-1.3988598585128784
Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9716451168060303
O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl,-0.7642836570739746
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1,-1.3115838766098022
Cc1ccc(N2CCC[C@H](NC(=O)c3ncccc3Cl)C2)cc1,-0.8575530052185059
O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0422016382217407
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.958503007888794
O=C(NC1CCCC1)N1CCC[C@@H]1c1ccc(F)c(F)c1,-0.9908941984176636
O=C(C1OCCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1,-0.9169983863830566
O=C(Nc1ccccc1)C(=O)N1CCC[C@@H](c2cccs2)C1,-1.3591878414154053
Cc1cccc(NC(=O)NCC[NH+]2CCCC2)c1,-1.6761159896850586
COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1,-1.5992668867111206
c1ccc(CNCC2CC(c3ccccc3)C2)cc1,-1.649837613105774
Cn1cc(C(=O)NCc2ccc(O)cc2)c2ccccc21,-1.1708626747131348
Cc1nc2c(o1)CC[NH+](CC(=O)NCc1ccccc1)C2,-1.3774125576019287
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5481606721878052
Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)cc1,-1.143196940422058
O=C(CC1CCCC1)Nc1ccn(-c2ccc(Br)cc2)n1,-1.1227738857269287
C[C@H](NC(=O)c1ccc2c(c1)CCN2)c1ccc(O)cc1,-1.1143863201141357
Cc1ccc(NC(=O)C2(c3ccc(C)cc3)CCC2)cc1,-1.4118503332138062
CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCOCC2)n[nH]1,-1.1541000604629517
Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC[C@@H](C)C3)CC2)o1,-1.3122990131378174
O=C(N[C@H]1CCC[C@H](O)C1)N1CCC(c2ccccc2F)CC1,-1.0256764888763428
Cc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.1879291534423828
Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1,-1.3892117738723755
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.5265599489212036
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1,-0.7681478261947632
O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1F)c1ccccc1,-1.0128175020217896
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8479870557785034
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.9921203851699829
Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4233341217041016
Cn1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n1,-1.2183690071105957
C[NH+]1CCN(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)C1,-0.9974635243415833
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-1.036982536315918
Cc1ccc(NC(=O)C2CC[NH+](CC(C)(C)CCO)CC2)cc1,-1.4436609745025635
O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(c2ccccc2)C1,-1.4355324506759644
Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)cc1,-1.168147325515747
O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.7926879525184631
C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H]([NH3+])CC2)CC1,-1.1993809938430786
CC(C)(C)NC(=O)[C@@H]1CCCC[NH+]1[C@H]1CC12CCC2,-1.269770622253418
CCc1ccc(NC(=O)N[C@@H]2CC[NH+](C)C2)cc1,-1.6253747940063477
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2F)C1,-0.9457600712776184
CC(=O)N1CCC[C@H](NC(=O)Cc2cccc(C)c2)C1,-1.488284945487976
Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.3441427946090698
CC1(C)CC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1,-1.1960417032241821
COc1ccc(CNC(=O)C2CCN(C)C2)cc1,-1.6209311485290527
CC(N)COc1ccc(COc2ccccc2)cc1,-1.7126113176345825
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212510108947754
Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3C)CC2)cc1,-1.1650866270065308
Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)s1,-0.89094078540802
O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313186168670654
COc1ccccc1N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1581676006317139
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)ns1,-0.8414626717567444
O=C(C[NH+]1CCN(C(=O)[O-])CC1)Nc1ccc(F)cc1,-1.5512994527816772
O=C(NC[C@H]1CCCCO1)Nc1ccc(F)nc1,-1.6258983612060547
O=C([C@@H]1CCCCN1c1ccc(F)cc1)N1CCCC[C@@]2(CC[NH2+]C2)C1,-0.898617148399353
Cc1ccc(C(=O)N2CCN(S(=O)(=O)C3CCCCC3)CC2)cc1,-1.1351228952407837
C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.1766564846038818
CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6266510486602783
C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1,-1.2183265686035156
CCOc1ccccc1NC(=O)c1cc(Cl)[nH]n1,-1.3638638257980347
CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2822564840316772
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.51140296459198
O=C(c1ccccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.014837622642517
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904664039611816
O=C(Cc1ccccc1Cl)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.1254277229309082
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0515468120574951
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1756099462509155
Cc1ccc([C@H]2C[C@H](NC(=O)c3ccc(F)cc3)C2)cc1,-1.179094910621643
COCCNC(=O)N1CCC[C@H](c2ccccc2Cl)C1,-1.3100800514221191
Cc1cccc(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1,-1.5675779581069946
Nc1ccccc1N1CCC(C(=O)N2CCC[C@@H](C[NH3+])C2)CC1,-1.030605673789978
Cc1ccc(F)cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1,-1.066092610359192
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679264307022095
CCN1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9063736796379089
O=C(Nc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.1536561250686646
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.25028657913208
CCn1nnnc1COC(=O)[C@H]1CCC[C@H](C)C1,-1.218131422996521
O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@@H]1C1CCOCC1,-1.5078380107879639
Cc1ccc(C[NH+]2CC(NC(=O)C(C)(C)O)C2)cc1,-1.5996273756027222
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.9273998141288757
COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cn1,-1.0799179077148438
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3625582456588745
Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.3319168090820312
O=C(Cc1ccc(F)cc1)NCc1c[nH]c2ccccc12,-1.2966724634170532
c1ccc(N2CC[NH+](Cc3nccn3-c3ccccc3)CC2)cc1,-1.2630164623260498
Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3C)CC2)cc1,-1.0631473064422607
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(O)c1O,-1.2069706916809082
O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2493618726730347
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.5190905332565308
O=C(NCc1ccccc1)C(=O)N1CCOc2ccccc21,-1.4110219478607178
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)nc1,-1.5019519329071045
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3508853912353516
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2C)cc1,-1.1510001420974731
C[C@H](C(=O)NCCC[NH+]1CC[C@@H](O)C1)c1ccc(F)cc1,-1.3988287448883057
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9480392336845398
O=C(Nc1ccccc1Cl)N1CCC([NH+]2CCC(O)CC2)CC1,-1.000448226928711
Fc1ccc(OCc2ccc3c(c2)OCO3)cc1,-1.595444917678833
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1535817384719849
COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCCF)cn1,-0.8468561768531799
CC1CC[NH+]([C@H](C)CNC(=O)Cc2ccc(Br)cc2)CC1,-1.183947205543518
O=C(c1cc(F)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0401099920272827
Fc1cc(OCc2ccccc2)c(-c2ccccc2)cc1Br,-1.1920356750488281
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066550970077515
C[NH+]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)CC1,-1.1925499439239502
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125277042388916
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3347535133361816
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2500962018966675
O=C1CCC(Cc2ccccc2)N1Cc1ccc(Cl)cc1,-1.343119502067566
O=C(Nc1ccc(O)cc1)[C@H]1CCCN(c2ccccc2F)C1,-1.201083779335022
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1F,-1.099259614944458
O=C(COc1ccccc1)NCc1ccccc1,-1.74735426902771
O=C1CC[C@H](c2ccccc2)C[C@H]1NC(=O)N1CCCCC1,-1.29694402217865
COCC1CCN(C(=O)Nc2ccc(Br)s2)CC1,-1.3880290985107422
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1F,-0.5749818086624146
COc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc1,-1.3153377771377563
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0693771839141846
CC(C)N1CCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)CC1,-1.031378149986267
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1466898918151855
Cc1csc([C@H]2CCCN(C(=O)Nc3ncc(C)s3)C2)c1,-0.8643477559089661
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3021910190582275
C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0124034881591797
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2223669290542603
Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.7924482226371765
C[C@H]1CN(C(=O)Nc2ccc(C3CCCCC3)cc2)CCCO1,-1.5067732334136963
Nc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.0572477579116821
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)nc1,-1.261403203010559
N#Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1,-1.3097950220108032
Cc1cccnc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1,-0.9695990681648254
Cc1cccc(-n2ccc(C(=O)Nc3cc(C)[nH]n3)n2)c1,-1.0766900777816772
O=C(Nc1ccc2[nH+]ccn2c1)c1csc(-c2ccccc2)n1,-1.1376168727874756
OC1(Cc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1,-1.53803288936615
C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.171877145767212
O=C(CN1CCNC1=O)Nc1ccc(N2CCCCC2)cc1,-1.4060338735580444
COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.642710566520691
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1O,-1.4824278354644775
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1152873039245605
C[NH+]1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1,-1.3292959928512573
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1,-0.7993508577346802
NS(=O)(=O)c1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1,-1.5237863063812256
O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.2004663944244385
O=C(c1ccc(F)cc1)N1CCN(CC2CCCCCC2)CC1,-1.151183843612671
O=C1NC2(CCN(C(=O)NCC3CCCC3)CC2)CO1,-1.6298038959503174
O=C(CCCc1cccc(F)c1)NCc1cccc(Br)c1,-1.4202048778533936
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9634912610054016
O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6621063947677612
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826455473899841
C[C@H]1CCC[C@@H](NC(=O)c2ccccc2N2CCCC2=O)C1,-1.0946203470230103
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.140857458114624
Cc1ccc(C)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.1877400875091553
CC(c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1,-1.1567260026931763
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.245837926864624
C[C@H](Cc1ccccc1)Nc1ccn(-c2ccc(Br)cc2)n1,-1.179520845413208
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3121830224990845
O=C(NCCCO)[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.6210205554962158
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0754846334457397
O=C(NC[C@H]1CCCO1)Nc1cccc(Cl)c1O,-1.5544822216033936
O=C(Cc1c[nH]c2ccccc12)NCc1ccc(O)cc1,-1.4249968528747559
c1ccc(Oc2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1,-1.1979161500930786
Nc1ccc(CNC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.4330872297286987
O=C(c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCOC2)CC1,-1.1629608869552612
O=C(Nc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1,-1.491406798362732
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2537692785263062
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3823834657669067
C[C@@H]1Cc2cc(CNCc3ccc(Cl)cc3)ccc2O1,-1.242226004600525
Cc1ccc(C(=O)Nc2ccc(-n3nnnc3C)cc2)c(C)c1,-0.7192851305007935
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0437853336334229
Cc1ccc(C[NH+]2CCN(C(=O)C3CCOc4ccccc43)CC2)cc1,-1.0589288473129272
O=C(Nc1ccccn1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O,-0.9633486866950989
Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.1637855768203735
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9885287880897522
Cc1ccc(O)cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1,-1.1506370306015015
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)o1,-1.2004514932632446
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@H]2C)cc1,-1.1133981943130493
COc1ccc(C[NH+]2CCN(C(=O)CCC(=O)[O-])CC2)cc1,-1.5100693702697754
C[NH+]1CC[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)C1,-1.2997854948043823
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)nc1,-0.9350287318229675
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0778107643127441
O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.5008116960525513
Cc1cc(Br)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9317841529846191
Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9533296823501587
C[C@]1(c2ccc(Cl)cc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1,-0.9495024681091309
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2358750104904175
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1307145357131958
O=C(Nc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9909448623657227
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccn[nH]1,-0.9750972390174866
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.202029824256897
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)ns1,-1.0200719833374023
C[C@@H]1CCC[C@@]2(C1)C[NH+](Cc1noc(-c3ccc(F)cc3)n1)CCO2,-0.9556401968002319
CC1(C)CC[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C1,-1.190941333770752
C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1674014329910278
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9542052745819092
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700112581253052
CC(C)(CO)C(=O)NCc1ccc(N2CCSCC2)cc1,-1.4555903673171997
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1200367212295532
[NH2+]c1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.1811182498931885
O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4026778936386108
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2[nH]ccc2c1,-1.2312355041503906
Cc1cccc(NC(=O)c2ccc(CC(F)(F)F)cc2)c1,-1.3777893781661987
O=C(Nc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,-1.4097168445587158
C[C@@H]1CCCC[NH+]1CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.3058453798294067
O=C(N[C@@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8074442148208618
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.4290962219238281
Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5464452505111694
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-1.000718593597412
CC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1,-1.0864490270614624
Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2067692279815674
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.30209219455719
O=C(c1ccccc1)N1CC[NH+](CCc2ccc(O)cc2)CC1,-1.4689973592758179
CC(C)C1CC[NH+](Cc2nc(-c3ccc(N)cc3)no2)CC1,-0.9730217456817627
Cc1ccc(-c2cc(C)cc(OCc3ccccc3)c2)cc1,-1.4371669292449951
C[NH+]1CC[C@H](NC(=O)Cc2ccc(-c3cccs3)cc2)C1,-1.533312439918518
Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3O)C2)nn1,-0.9265738129615784
O=C(NC[C@H]1CCCC(F)(F)C1)[C@H]1CCC(F)(F)C1,-1.061693549156189
O=C(N[C@@H]1CCCC[C@H]1F)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9413585066795349
C[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1,-1.4688628911972046
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.8426895141601562
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439629912376404
Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)cc2)cn1,-1.042762041091919
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.2096447944641113
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749881267547607
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-1.0125792026519775
O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5489912033081055
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6929651498794556
CCC(C)(O)C(=O)NCC1(c2ccccc2)CCCCC1,-1.6495612859725952
Fc1ccccc1OCc1ccc(-c2nc3ccccc3o2)cc1,-1.0351916551589966
Cc1ccc(O)c(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1,-1.2716422080993652
Cc1csc2c1C[NH+](CC(=O)NCc1ccccc1)CC2,-1.2027857303619385
c1ccc(Cc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1,-1.2517335414886475
Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(Br)cc3)C2)nc1,-1.085225224494934
Cc1nc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cs1,-0.9019900560379028
C[C@@H]1Cc2cc(CNC(=O)[C@H]3CCCC[C@@H]3[NH3+])ccc2O1,-1.137718677520752
Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0711396932601929
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0109269618988037
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1541543006896973
C[C@H]1CN(C(=O)c2ccccc2O)CC[NH+]1Cc1ccccc1,-1.3197649717330933
O=C(CN1CCCC1=O)NCc1cc(F)c(F)cc1Br,-0.7651622891426086
O=C1N(Cc2ccc(F)cc2)CCN1CC1CCCCC1,-1.3129416704177856
CC(C)(C)C(=O)Nc1ccc(OCC(N)=O)cc1,-1.6161220073699951
Cc1nc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.992226243019104
CCc1ccsc1C(=O)NCc1ccc(Br)cc1,-1.3249069452285767
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8474246263504028
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2803007364273071
O=C1CC[C@@H](Cc2ccccc2)N1Cc1ccc(Cl)cc1,-1.3385792970657349
O=C(NCc1ccccc1)c1ccc(S)cc1,-1.660644769668579
CC(C)[NH+]1CCN(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1,-1.3176474571228027
C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)C1,-0.8905933499336243
Cc1nc2ccc(CNC(=O)c3ccc(I)cc3)cc2[nH]1,-0.8142217397689819
Fc1ccc(C2CCCCC2NCc2ccc(Br)cc2)cc1,-1.0910440683364868
Cc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3C)CC2)cc1,-1.0602679252624512
C[NH+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCCC3)CC2)C1,-1.249858021736145
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.4858167171478271
COc1cc(Br)ccc1NC(=O)C[NH+]1CCCO[C@H](C)C1,-1.3223427534103394
O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC2(CCC(O)C2)C1,-0.8176317811012268
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2s1,-1.0795432329177856
Cc1cccnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.034613847732544
Cc1ccc(C(=O)NCc2ccc3c(c2)CCCC3)nc1,-1.1304477453231812
Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@@H](C)C1,-1.0976437330245972
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1,-1.0805976390838623
Cc1cc2c(s1)CCN(C(=O)CNC(=O)c1ccccc1)C2,-1.0029222965240479
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCOC2=O)cc1,-1.1567175388336182
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2357842922210693
C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)C1,-1.2395434379577637
Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5049151182174683
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172516465187073
O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(O)cc1F,-1.0426690578460693
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.0809082984924316
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3243952989578247
CCNC(=O)c1ccc(-c2ccc3c(c2)C[C@@H](O)C3)cc1,-1.1418099403381348
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.900030255317688
Cc1ccc(NC(=O)[C@@H]2CCN(c3nnc(C)s3)C2)cc1,-0.8902122378349304
Cc1ccc(-n2cc(NC(=O)c3ccn(C)n3)cn2)cc1,-1.269389271736145
CCCc1ccc(C(=O)N[C@@H]2CCC[C@@H](OC)C2)cc1,-1.5596834421157837
Cn1cc(NC(=O)c2ccco2)c(-c2cccc(Cl)c2)n1,-1.171510100364685
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2887121438980103
O=C(Nc1ccccc1O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.190315842628479
O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0632097721099854
C[C@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(F)cc1,-1.3387731313705444
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1049058437347412
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.5319336652755737
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(I)cc1,-1.2581472396850586
Cc1ccc(-c2ccc(CNc3ccc(F)cc3)cc2)cc1,-1.4484468698501587
CCOc1ccc(NC(=O)c2cc(Br)on2)cc1,-1.4860223531723022
Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.0684157609939575
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1,-1.333735704421997
Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2497223615646362
CC(C)(C)C(=O)Nc1ccc(NN2CCCC2=O)cc1,-1.424930453300476
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.9968605041503906
C[NH+]1CCN(C2CC(NC(=O)c3cccc(Br)c3)C2)CC1,-1.1374218463897705
CC(C)(O)C(=O)N1CCC(C(=O)NC2CCCC2)CC1,-1.4771994352340698
CC1CCC(NC(=O)c2cccc(N3CC[NH+](C)CC3)c2)CC1,-1.0949726104736328
CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5235345363616943
O=C(c1ccc(O)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2429373264312744
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-1.0361132621765137
O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]C1,-1.0818812847137451
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1395196914672852
CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)cc1,-1.0188406705856323
Cc1cc(CN[C@H]2CCCN(c3ccccc3)C2)ccc1F,-1.2940386533737183
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8927807211875916
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0617412328720093
CS(=O)(=O)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1902130842208862
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.1321284770965576
CC(C)(C)C1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.7022647857666016
CN1CCN(c2ccccc2F)CC1,-1.730922818183899
O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0909509658813477
Nc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.331021785736084
O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.542901873588562
Cc1cc(F)ccc1NC(=O)Nc1ccc2c(c1)CCC2,-1.1418464183807373
Cc1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2n1,-0.5217989087104797
C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCC3(CCOCC3)C2)C1,-1.5371969938278198
CN1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.3606626987457275
Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0658454895019531
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3001044988632202
Cn1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n1,-1.18442964553833
CCNC(=O)Nc1ccc(-c2nc(C)no2)cc1,-1.4952198266983032
O=C(c1ccncc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3868910074234009
N#Cc1ccc(F)cc1CN1CCN(Cc2ccccc2)CC1,-1.2104861736297607
Clc1cc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1,-0.8597558736801147
Cc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9404034614562988
O=C(Nc1cc(F)ccc1F)c1ccc(N2CCCCC2)cc1,-1.0201927423477173
O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4820876121520996
C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2F)C1,-1.0405230522155762
O=C(NCC1CCCCC1)[C@@H]1CCc2cc(Br)ccc2C1,-1.0633963346481323
Cc1ccc(CNc2ccc(F)cc2-c2ccccc2)cc1,-1.2371385097503662
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8319613933563232
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3780999183654785
O=C(Nc1cccnc1Cl)c1cc(F)ccc1N1CCOCC1,-0.8238233923912048
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2975844144821167
Cc1ccc(CNc2ncccc2-c2ccc(Br)cc2)cc1,-1.1228166818618774
Clc1ccc(-n2ccc(NCc3cc(Cl)ccc3Cl)n2)cc1,-0.64936363697052
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2622787952423096
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.442484974861145
CC(C)[C@@H]1CCN(C(=O)NCc2ccccc2)C1,-1.603747010231018
Cn1ccc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n1,-0.9566181302070618
Nc1ccc(CNc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.263283610343933
CCC(CC)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1,-0.7186769247055054
O=C(COc1ccc(Cl)cc1)NCc1cccs1,-1.5938057899475098
O=C(C(O)=Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,-1.072821021080017
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CC[C@H](F)C1,-1.0663635730743408
O=C([C@H]1CCC(F)(F)C1)N1CC[NH+](Cc2cccs2)CC1,-1.1169040203094482
Cc1ccc([C@H]2CCCN(C(=O)NC3CCCCCC3)C2)cc1,-1.2459197044372559
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)[nH]1,-1.1166081428527832
O=C(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2,-1.3124052286148071
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1,-1.3681985139846802
CCCCCCC(=O)Nc1ccc(OC(=O)C(C)CC)cc1,-1.5978792905807495
OCc1ccccc1,-2.0822067260742188
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(I)c1,-1.0953476428985596
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2822816371917725
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1128828525543213
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9322249293327332
CC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.4841328859329224
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C)c2)C1,-1.0454736948013306
Cc1nc(C(=O)N2CC[C@](O)(Cc3ccccc3)C2)cs1,-1.350658893585205
CCc1ccc(CNc2ccccc2C(C)C)cc1,-1.6014834642410278
O=C1CCC[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.3454475402832031
C[NH+]1CCC(OC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1,-1.475854516029358
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2O)CC[C@H]1c1ccccc1,-1.0899267196655273
Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0843596458435059
O=C(NC1CCCC1)c1cn2ccccc2n1,-1.649592399597168
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.9961316585540771
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3658920526504517
CCc1ccc(NC(=O)N2CCOCC3(CCOCC3)C2)cc1,-1.5321253538131714
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9985779523849487
CN(CCc1ccc(F)c(F)c1)C(=O)c1cncc(I)c1,-0.7372069954872131
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9521386027336121
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1756229400634766
CCCc1ncccc1C(=O)NC1CCC2(CCCCO2)CC1,-1.4701807498931885
C[C@@H]1CCCCN(C(=O)Nc2cccc(N3CCOCC3)c2)C1,-1.3809529542922974
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2F)CC1,-0.9740554690361023
CC(C)NC(=O)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.3245779275894165
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1695072650909424
Cc1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2733559608459473
CC(C)[C@H](O)C(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5396637916564941
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4150837659835815
NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.2309619188308716
CC(C)(C)CNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1,-0.9269590973854065
O=C(N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1,-1.4446930885314941
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599953889846802
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5252283811569214
Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1Br,-1.2046504020690918
O=C(N[C@H]1C[C@@H]1C1CCOCC1)[C@@H]1CCN(c2ccccc2)C1,-1.2449767589569092
O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2[nH]1,-1.1538736820220947
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2082115411758423
C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.069931983947754
O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1,-1.5027213096618652
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1492599248886108
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.994820237159729
Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.249725580215454
COc1ccc(N2CCN(C(=O)c3ccc(Br)nc3)CC2)cc1,-1.015313744544983
Cc1ccc(C)c(NC(=O)c2cccc(N3CCCCC3)c2)c1,-1.0924350023269653
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4763505458831787
O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0455687046051025
O=C1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.4781428575515747
O=C(NCc1ccccc1)N1CCCC[C@@H]1CCCO,-1.6038366556167603
C[NH+]1CCCN(C(=O)Nc2cccc(C(C)(C)C)c2)CC1,-1.353147268295288
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1,-0.704588770866394
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)on1,-1.221482276916504
Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1F,-1.0638021230697632
CN1CC[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1=O,-1.1157398223876953
COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,-0.976037859916687
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-1.060941457748413
O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.3661119043827057
Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.343463659286499
Oc1cc(-c2ccccc2)nc(NCc2ccc(Br)cc2)n1,-0.9766509532928467
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.009616494178772
COc1cc(Br)ccc1C(=O)N1CCCC(C(F)(F)F)C1,-0.8082520365715027
O=C(NCC1CCCCC1)c1csc(C2CC2)n1,-1.300163984298706
Oc1cc(-c2ccccc2)ccc1OCc1ccc(Cl)cc1,-1.271779179573059
CCc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1,-1.6074703931808472
O=C(NC[C@@H]1CC[C@H]2CCC[NH+]2C1)c1ccc(Cl)c(I)c1,-0.6420004367828369
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2897967100143433
O=C(NS(=O)(=O)C[C@H]1CCCO1)c1ccc(Br)cc1,-1.5173040628433228
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(I)c1,-1.121861219406128
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(O)cc2Cl)CC1,-1.0772217512130737
Nc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1,-1.0623462200164795
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1O,-0.9712759852409363
Cc1ccc(CC(=O)NC[C@H]2C[C@H]3CCCC[C@@H]3O2)cc1,-1.5164732933044434
O=C1[C@@H](NCc2ccc(Br)cc2)CCN1c1ccccc1,-1.191951036453247
Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.0823603868484497
Oc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4486377239227295
Cc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1795741319656372
CC(=O)[C@@H](C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1,-1.400514006614685
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1scnc1-c1ccccc1,-0.923308789730072
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-1.0840766429901123
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.3998514413833618
Cc1cc(N)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.970161497592926
O=C(Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1,-1.4917354583740234
CS(=O)(=O)CCN1CCCC(NC(=O)C2CCCCC2)C1,-1.533551573753357
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.1230627298355103
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3862160444259644
Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.1556859016418457
COc1ccc(O)cc1C(=O)N1CCC(c2ccccc2)CC1,-1.122657060623169
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3602840900421143
O=C1CCCN(C(=O)NCc2ccc(Cl)c(F)c2)CC1,-1.062098741531372
CCOC(=O)c1ccc(CC(O)=NC2CCN(C)CC2)cc1,-1.4318007230758667
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.043601155281067
[NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC(F)(F)F)cc2)C1,-1.1774239540100098
COc1ccc(C(=O)NCc2nnc(C)s2)cc1,-1.2502784729003906
CC(C)CNC(=O)C1CCN(c2ccc(F)c(Cl)c2)CC1,-0.865984320640564
Cc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(Cl)c2)C1,-1.0645643472671509
CC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2F)cc1,-0.877101719379425
O=C(C1CCCCCC1)N1CCC(C[NH+]2CCC(O)CC2)CC1,-1.3615374565124512
O=C(Nc1ccccc1Cl)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.8196083307266235
Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0193945169448853
CC(C)C(C)(C#N)c1ccc(NCC2CCCCC2)cc1,-1.3068054914474487
Fc1ccc(C[NH+]2CCC([NH2+]c3ccc(Br)cc3)CC2)cc1,-1.1614792346954346
Cn1cc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)cn1,-1.428469181060791
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br,-0.7905414700508118
CCc1cc(Cl)ccc1C(=O)N1CCN(c2ccccc2)CC1,-0.9240825176239014
Cc1ccccc1[C@@H]1COCCN1C(=O)Nc1ccc(Cl)cc1,-1.073797583580017
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(I)c1,-0.9215822815895081
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.146275281906128
Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.5860967636108398
CC(C)(C)c1ccc(CNC(=O)CC(F)(F)F)cc1,-1.2033560276031494
C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.031246304512024
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CC12CCC2,-1.0725401639938354
O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0551276206970215
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccccc2F)cc1,-1.1039904356002808
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2405377626419067
CC(C)(C)[NH+]1CC[C@H](NC(=O)CCCc2ccccc2)C1,-1.5425314903259277
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0495424270629883
CN(C)CCNCc1ccc(N2CCOCC2)cc1,-1.6822662353515625
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1926733255386353
O=C(N[C@@H]1CC12CCCCC2)N1CCO[C@H](c2ccccc2)C1,-1.4715111255645752
COc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1,-1.202858805656433
CCN1CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1,-1.4787983894348145
COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3)c1,-1.1840819120407104
Cc1c(CNc2ccc(F)cc2)cnn1-c1ccc(F)cc1,-0.8966959714889526
CN1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0581248998641968
O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccc(F)cc1,-1.5647083520889282
COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,-1.133095145225525
O=C(N[C@H]1CC[C@H](F)C1)[C@@H]1CCN(c2cccc(Cl)c2)C1,-0.952997624874115
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-0.9435977935791016
Cc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4306640625
Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.8722065091133118
CC(C)NC(=O)CCc1ccc(F)cc1,-1.742435097694397
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2258410453796387
Cc1ccc(CCCCC(=O)NC2CC[NH+](C)CC2)cc1,-1.5540211200714111
CC1CCN(C[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1,-1.3441035747528076
Nc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9247540235519409
C[NH+]1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4785226583480835
O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccccc2)CC1,-0.9713545441627502
O=C(Cc1ccc(F)cc1)NC1CCN(c2ccccc2)CC1,-1.468827247619629
O=C(N[C@H]1CCCO[C@H]1c1ccccc1Cl)c1ccc(O)cc1,-1.0677378177642822
O=C(NC[C@@H]1CCCO1)C1CCC1,-1.8454400300979614
O=C1CCc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2CC1,-0.8394368290901184
Cc1ccc(N=C(O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.215397834777832
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9446962475776672
Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8985405564308167
O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2cccc(F)c2)C1,-0.8661804795265198
CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1,-1.259411334991455
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203945636749268
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671329498291016
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0699963569641113
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.1155240535736084
Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(C)n1,-0.8790785074234009
C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)C,-0.9383068084716797
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.890387773513794
O=C1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.363339900970459
CC(=O)Oc1ccc(OCC2CCNCC2)cc1,-1.680747389793396
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9708670377731323
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133901834487915
CC1(C)C[NH+](Cc2ccc(Oc3ccccc3)cc2)CCS1,-1.4842830896377563
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1594395637512207
Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)c(O)c3)CC2)cc1,-0.854833722114563
O=C(Cc1ccc(F)cc1)NCC(=O)N1CCCCC1,-1.554707407951355
C[C@@H]1CN(c2ccc(OCc3ncccn3)cc2)C[C@H](C)O1,-1.3163847923278809
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.564943790435791
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7370953559875488
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0729734897613525
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9487209320068359
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9749372601509094
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1053557395935059
Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0572538375854492
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4043954610824585
C[NH+]1CCC(NC(=O)c2ccc(N3CCCCCC3)nc2)CC1,-1.2984899282455444
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1cccc(-c2nn[n-]n2)c1,-0.959708034992218
CC(c1ccccc1)N1CCN(C(=O)c2ccc(I)cc2)CC1,-0.9348099231719971
C[NH+]1CCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1,-1.0968410968780518
O=C(Nc1ccccc1Cl)N1CCC(c2ccc(Br)cc2)CC1,-0.8038594126701355
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2572757005691528
COc1ccc(C(=O)N2CCN(C)CC2c2ccccc2)cc1,-1.1691815853118896
Cc1cc(I)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-0.9214296340942383
O=C(N[C@@H]1CCCC[C@@H]1C1CCOCC1)c1ccc(Cl)cc1O,-0.9563890099525452
Cc1ccc(C[C@H]2CCCN2C(=O)c2cnn(C)c2)cc1,-1.1520944833755493
Cc1ccc(NC(=O)C2CCN(c3ccccc3O)CC2)cc1,-1.1369681358337402
O=C(NC[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc(Cl)cc1,-1.5064282417297363
O=C(Nc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1,-1.5436867475509644
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.450751781463623
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203782320022583
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0269488096237183
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccncc1F,-0.974315345287323
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2F)cc1,-0.9792044162750244
CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.4099379777908325
CC(C)(C)C(=O)N1CCN(Cc2ccc3cc(O)ccc3c2)CC1,-0.8896308541297913
Cc1nc(C2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)no1,-0.8988240957260132
CC(C)(C)CC(=O)NC[C@H]1CCCN1c1ccccc1F,-1.2160959243774414
C[NH+]1CCC[C@H](C(=O)NC[C@@](C)(O)c2ccc(Br)cc2)C1,-1.3089416027069092
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9873307347297668
Cc1ccccc1NC(=O)C1CCN(c2cccc(F)c2)CC1,-1.03081214427948
Cc1ccc(CN2CCN(C(=O)C3CCCCCC3)CC2)cc1,-1.335100531578064
O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5163315534591675
CC(C)(O)CCNC(=O)Nc1ccc2c(c1)OCCCO2,-1.5553418397903442
Nc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9692275524139404
C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)CC[C@@H]1c1ccccc1,-0.9705746173858643
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2829583883285522
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1842418909072876
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9925470352172852
O=CNCc1ccccc1,-2.0145390033721924
Cc1ccc(N)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.126136302947998
Cc1nnc(N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)cc2)s1,-0.7691240310668945
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1142661571502686
[NH3+][C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2220147848129272
Cc1ccc(CNC2CC(=O)N(c3ccccc3)C2)cc1,-1.4511703252792358
Cc1nc2c(s1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.8341665267944336
COc1ccccc1COC(=O)c1cc(C)on1,-1.6233737468719482
O=C1CCCN1c1ccc(CNc2nc3ccccc3s2)cc1,-0.902647078037262
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1313014030456543
O=C(NCc1ccc(F)cc1)NC1CCOCC1,-1.6531507968902588
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9117159247398376
Cc1csc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)c1,-1.1270722150802612
Cc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9435539245605469
C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1,-1.099389672279358
Nc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1,-1.3297642469406128
Fc1ccc(N2CCC[C@H](CNc3ccc(Cl)cc3)C2)cc1,-1.055834412574768
Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.513000249862671
CCc1ccc(NC(=O)COc2ccccc2Br)cc1,-1.5083121061325073
O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](CCCCO)CC1,-1.340480089187622
Cc1ccc(CNC(=O)c2cc3ccc(C)cc3o2)cc1,-1.256255865097046
O=C(C1CC[NH+](Cc2ccc(F)cc2Cl)CC1)N1CCOCC1,-1.003281831741333
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2812538146972656
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2947677373886108
Cc1ccc(COc2ccc(C)cc2-c2ccccc2)cc1,-1.3811309337615967
Cc1cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)c2ccccc2n1,-0.43313664197921753
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1378247737884521
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0675382614135742
Cc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1I,-1.0742758512496948
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0930973291397095
O=C(CNC(=O)c1ccc(O)cc1)c1ccc(F)cc1,-1.4274961948394775
Cn1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1,-1.2130069732666016
COc1ccc(CNCCCCCc2ccccc2)cc1,-1.6431971788406372
CC(C)Oc1ccc(NS(=O)(=O)c2cccnc2)cc1,-1.5720287561416626
CC(C)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cn1,-1.2491143941879272
O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1,-1.1926305294036865
O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.3983204960823059
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4269787073135376
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.1351453065872192
Cc1ccc(C[NH+]2CCN(C(=O)N3CCCC[C@@H]3C)CC2)cc1,-1.1241238117218018
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1,-1.3517900705337524
O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0743924379348755
CCc1ccc(CNC(=O)c2ccc(I)o2)cc1,-1.471109390258789
CC(C)N1CCN(C(=O)c2cccc(N3CCOCC3)c2)CC1,-1.1144776344299316
COc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1,-1.5951461791992188
O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0790642499923706
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1,-0.9098591804504395
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9682537913322449
CC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.5029696226119995
CC(C)(CC(=O)[O-])C(=O)N1CCC(Oc2cccc(Cl)c2)CC1,-1.135498046875
O=C(Nc1ccc(Cl)cc1O)c1ccc(-c2ccccc2)cc1,-1.177186131477356
CS(=O)(=O)c1ccccc1CNCc1ccc(O)cc1,-1.5443707704544067
Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.429203748703003
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.9597529172897339
Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1N,-0.9087972044944763
COc1ccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1,-1.5352691411972046
Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8633913397789001
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1616302728652954
Cc1ccc(C(=O)N[C@H]2CC[C@@H]2c2ccc(F)cc2)cn1,-1.1212366819381714
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9941481351852417
CC[NH+]1CCN(C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.0699453353881836
NC(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.620693564414978
C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1,-1.12639582157135
O=C(NCCCCc1ccc(O)cc1)c1cc2ccccc2o1,-1.4516607522964478
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2438006401062012
CC1CCCN(C=O)C1,-1.9905457496643066
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)co1,-1.125964879989624
O=C(N[C@H]1CCCC[C@@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8812008500099182
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)s1,-0.9089257717132568
c1ccc(-c2noc(CNCc3cccs3)n2)cc1,-1.6159558296203613
O=C([O-])c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1,-1.1319535970687866
CCc1cc(C(=O)NC[C@@H]2CCC[NH+](C)C2)no1,-1.5718616247177124
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.2284051179885864
O=C(NCCC(F)(F)F)c1ccc(-n2cc(Cl)cn2)cc1,-0.9249285459518433
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641382098197937
COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.3197458982467651
Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1199133396148682
[NH3+][C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1,-1.169393539428711
CCC(C)(C)C(NC(=O)c1ccccc1)c1ccccc1,-1.5293104648590088
O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.554736316204071
O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccco2)CC1,-1.3029570579528809
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1,-1.0034493207931519
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.206842303276062
Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.049494981765747
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3076567649841309
C[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC[NH+]1C,-1.1076005697250366
COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1349619626998901
Nc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1F,-1.1157596111297607
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898136258125305
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6732650995254517
CCOC(=O)Cc1ccc(N2CCN(CC)CC2)cc1,-1.5646414756774902
O=C(Cc1ccccc1Br)Nc1ccc(N2CCCCC2)cc1,-1.170555591583252
CC1(O)CCN(C(=O)NCc2ccc(F)c(Br)c2)C1,-1.3167120218276978
c1ccc(CN2CCCC(c3nc(-c4ccccc4)no3)C2)cc1,-1.2597289085388184
COc1ccc(C(=O)NCc2cnn(C)c2)cc1,-1.6098917722702026
COc1ccc(Nc2ccc3nc(-c4ccccc4)oc3c2)cc1,-1.2221050262451172
CC(=O)N1CCC(NC(=O)N2CCc3ccccc3C2)CC1,-1.0670710802078247
O=C(N[C@H]1CC12CC[NH2+]C2)c1ccccc1N1CCCC1,-1.327507495880127
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0939770936965942
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8688831925392151
Cc1ccc(N2CCN(C(=O)Nc3ccccc3N)CC2)cc1,-1.1968939304351807
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.086939811706543
O=C(NCc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1,-1.265527606010437
Cc1ccc(N2CC[C@@H](C(=O)Nc3scnc3C)C2)cc1,-1.0486862659454346
Cc1cc(Cl)ccc1CN1CCN(C(=O)c2ccccc2)CC1,-1.1320412158966064
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.29490327835083
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2868545055389404
COc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1,-0.9961021542549133
C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)[C@H]2c1ccccc1,-1.1838793754577637
Cc1cc(F)ccc1C(=O)NC[C@H](O)c1cccc(F)c1,-1.0825165510177612
O=C(Nc1nnc(-c2ccccc2)o1)c1cncc2ocnc12,-0.9766558408737183
NS(=O)(=O)c1ccc(C(=O)NCC2CCCC2)cc1,-1.5649279356002808
O=C(Nc1ccc(F)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.1146464347839355
CC(C)(C)c1ccc(C(=O)NC2CCC3(COC3)C2)cc1,-1.4441403150558472
C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.8603459596633911
C[C@@H]1C[C@@H](CNC(=O)NC2CCCCC2)CCO1,-1.6680610179901123
Nc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.327948808670044
Cc1ccc2cc(C(=O)NCc3cccc(F)c3)oc2c1,-1.179871678352356
O=C(CCC1CCOCC1)NCc1cc(F)c(Br)cc1F,-0.9146440029144287
O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccon3)cc2)C1,-1.1591122150421143
C[C@@H]1CCC[C@@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.5892226696014404
CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1,-1.1324352025985718
O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2Br)CC1,-0.8975688815116882
O=C(COc1cccc(F)c1)N1CCN(c2ccccn2)CC1,-1.23361074924469
Cn1cc(C[NH2+]C2CCN(c3ccc(Cl)cc3Cl)CC2)cn1,-0.7518664598464966
O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1,-0.919938325881958
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.3344837427139282
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1,-1.1338008642196655
Cc1ccc(NC(=O)C(=O)Oc2ccc(Cl)cc2)cc1,-1.4901741743087769
O=C(N[C@@H]1CCCN(C(=O)CCCF)C1)c1ccccc1F,-1.1298660039901733
[NH3+]CCCCC(=O)NCc1noc(-c2ccccc2)n1,-1.5701545476913452
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,-0.801807701587677
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(F)cc1,-1.1210438013076782
c1ccc(C(Nc2ccc3ccccc3c2)c2ccccc2)cc1,-1.2833913564682007
O=C(Cc1cc[nH]c1)Nc1ccn(-c2cccc(F)c2)n1,-1.3492006063461304
O=C(CNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1,-1.335347294807434
Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1602857112884521
Cc1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1,-0.9716629981994629
O=C(NCC(=O)c1ccccc1F)c1ccc(Br)cc1,-1.1559258699417114
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.88808274269104
CCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1,-1.5449199676513672
COc1ccccc1C(=O)NCc1nnc(C)o1,-1.579910159111023
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.2401548624038696
Cc1ccc(CN(C)C(=O)Cc2ccc(N)cc2F)cc1,-1.0959314107894897
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9634321331977844
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9513578414916992
Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1,-1.1295983791351318
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0384331941604614
Cc1cccc(N[C@H](C)c2nc(-c3ccc(F)cc3)no2)c1,-1.0955936908721924
Cc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.1077258586883545
Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.5298165082931519
O=C(c1cc(Br)cc2ccccc12)N1CCN(c2cccc(F)c2)CC1,-0.4385071098804474
Nc1ccc(N2CC[C@H](NC(=O)C3CCCCC3)C2=O)cc1,-1.068901777267456
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9339504241943359
CC1(C)CC(C(=O)Nc2cccc(-c3ccccc3)c2)C1,-1.4823578596115112
COc1ccc(N2CCC(NC(=O)C3=COCC3)CC2)cc1,-1.413712978363037
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424167275428772
Cc1ccc(OCCC(=O)Nc2ccc(Br)cc2)c(Cl)c1,-1.1492208242416382
CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.312731146812439
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3198424577713013
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6711065769195557
Cc1ccc2nc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2c1,-0.5193078517913818
Cc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1C,-1.2016271352767944
O=C(c1ncccc1Br)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8372129797935486
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.0898926258087158
O=C(N[C@H]1CCCC[C@@H]1N1CCCC1=O)c1cccc(Cl)c1,-0.9577209949493408
C[C@H]1CN(c2ccccc2)CC[NH+]1CC(=O)Nc1ccccc1,-1.4469586610794067
Cc1ccc(N2CCN(C(=O)c3ccc(N)c4cccnc34)CC2)cc1,-0.587846040725708
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0710757970809937
O=C(c1ccc(O)cc1)N1CCC(Cc2ccccc2O)CC1,-1.3394360542297363
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7932973504066467
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4024715423583984
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0780699253082275
COc1ccc(CNC(=O)c2cc(C)cs2)cc1,-1.6340957880020142
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2514028549194336
O=C(NCc1ccc2sccc2c1)N1CC[C@@H](C2CC2)C1,-1.075029730796814
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.2191746234893799
Cc1cc([O-])ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.1005523204803467
O=C(NCc1ccccn1)c1csc(C2CC2)n1,-1.2960951328277588
Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.8776597380638123
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0833333730697632
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689167737960815
CC1(C)CC[C@@H](C(=O)Nc2cc(-c3ccccc3)on2)C1,-1.4377789497375488
c1ccc(-c2ccc3nc(NCC4CCCCO4)ccc3c2)cc1,-1.1291731595993042
Clc1ccc(OCC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2221882343292236
O=C(Nc1ccc2[nH]nnc2c1)c1cc(-c2ccccc2)on1,-0.9928296804428101
c1ccc(N2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1,-1.3641968965530396
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1199687719345093
O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8798012733459473
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1070685386657715
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5133695602416992
CC(C)([NH3+])CC(=O)Nc1ccc(CN2CCCCC2)cc1,-1.548258662223816
CC(C)(O)CC(=O)Nc1ccc(OC2CCOCC2)cc1,-1.6102399826049805
O=C(N[C@@H]1CCCC[C@@H]1F)N1CCC(c2ccc(F)cc2)CC1,-0.8631495833396912
O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)Nc1ccccc1Cl,-1.2400041818618774
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.004506230354309
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750837326049805
Cc1ccc(-c2nc(C)c(C)c(NCC3CCCC3)n2)cc1,-0.6925592422485352
CN1C(=O)CC[C@@H]1C(=O)NC1CCC(c2ccccc2)CC1,-1.1291711330413818
CC(C)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.0436688661575317
C[C@H]1CN(Cc2cccc(Br)c2)CC[NH+]1Cc1ccccc1,-1.2711771726608276
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.073596477508545
[NH3+]c1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0606746673583984
CC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2C)CC1,-1.0718425512313843
O=C(c1ccc2nc(O)[nH+]cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5925896167755127
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,-0.9059521555900574
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.9553147554397583
Cc1c(N)ccc(OCc2ccccc2)c1-c1ccccc1,-1.2006707191467285
Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2332568168640137
O=C(NCCCc1ccc(F)cc1)N1CC[NH+]2CCCC[C@H]2C1,-1.169325351715088
O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4527995586395264
O=C(Cc1ccc(F)cc1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.4245600700378418
C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4784245491027832
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6708781719207764
COc1cccc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)c1,-1.3639730215072632
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-0.9614462852478027
Cc1ccc(NC(=O)[C@@H]2CC23CC[NH+](CC(C)C)C3)nn1,-1.0382928848266602
CC(C)CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.1128901243209839
Fc1ccc(CNc2ccnc(-c3ccc(F)cc3)c2)cc1,-1.0718021392822266
Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(Br)cc3)C2)no1,-1.1196321249008179
Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1701940298080444
C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccccc3)CC2)C1,-1.3809654712677002
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1,-1.094305396080017
Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]1,-1.1824097633361816
O=C(C1CC[NH+](Cc2ccc(F)cc2Cl)CC1)N1CCOCC1,-0.9064106941223145
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.134050726890564
CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1,-0.7804303169250488
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1cc2ccccc2o1,-1.1887933015823364
CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2N)CC1,-0.8489720225334167
O=C(N[C@@H]1CCCC[C@H]1F)N1CCC(c2ccc(Cl)cc2)CC1,-0.8728687763214111
CC1=C(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCCO1,-0.9147391319274902
Cc1cc(Br)ccc1NC(=O)NCC1CCCC1,-1.3597921133041382
Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.026625156402588
CC(C)(C)c1ccc(C(=O)Nc2ccc(I)cc2F)cc1,-0.7508682012557983
Nc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4587615728378296
CC[C@@H]1CN(C(=O)[C@H]2CCCCN2c2ccc(F)cc2)CCO1,-1.0506141185760498
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0136244297027588
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5251710414886475
CC(Cc1ccccc1)N=C(O)CNC(=O)c1ccccc1,-1.5472171306610107
Cc1ccc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)cc1,-1.2396221160888672
O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.1506881713867188
Cn1cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)o2)cn1,-1.0731086730957031
O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5403592586517334
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)n[nH]1,-0.8684112429618835
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9107071161270142
O=C(N[C@H]1CC[NH2+]C[C@H]1O)c1cccc(-c2ccc(F)cc2)c1,-1.1995981931686401
Cc1ccc(C[NH+]2CC[C@H](O)[C@H](OC3CCCC3)CC2)cc1,-1.5025211572647095
Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2687920331954956
O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9352728724479675
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0507594347000122
Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1986299753189087
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1334552764892578
Cc1cc(F)ccc1C(=O)NC[C@@H](O)c1ccc(F)cc1,-1.0839033126831055
Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1N,-1.1975159645080566
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2592488527297974
Fc1ccc([C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2)cc1,-1.108238697052002
C[C@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(F)cc1,-1.2485450506210327
Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0646060705184937
COc1cccc(N2CC[NH+](C[C@H]3C[C@H]3C3CCOCC3)CC2)c1,-1.217995047569275
NC(=O)C1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1,-0.8509384393692017
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-1.0602539777755737
Nc1ccc2cc(C(=O)NCc3ccc(F)cc3)sc2c1,-0.9509101510047913
C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2cc(F)ccc2F)CCO1,-0.988422691822052
Nc1ccc(CC(O)=NCCNC(=O)c2ccccc2)cc1,-1.5172889232635498
O=C(NCc1ccc(F)cc1Cl)c1c(F)cc(F)cc1F,-0.40686261653900146
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.26199209690094
CC[C@@H]1CSCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.021457314491272
N=C(O)[C@H]1CC[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)CC1,-1.166939377784729
C[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2CCC(F)(F)F)C1,-0.9713315367698669
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.9399688839912415
Nc1cc(O)ccc1CN1CCN(C(=O)c2ccccc2)CC1,-1.14783775806427
CCc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1,-1.2756553888320923
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5573605298995972
[NH3+]CC1CCN(C(=O)C2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.944135844707489
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.1865406036376953
O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0282779932022095
CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(O)cc2)cc1,-1.500058889389038
Cc1ccc(CNC(=O)N2CCc3cn(C)nc3C2)cc1,-1.0180842876434326
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.5225311517715454
C[NH+]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3F)CC2)C1,-0.9849444031715393
C=C(C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1,-1.4924780130386353
Nc1ccc(F)cc1C(=O)NC1CC[NH+](CCC(=O)[O-])CC1,-1.0524702072143555
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961391448974609
O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9620199799537659
O=C(NCc1ccc(I)cc1)NC1CCCCC1,-1.534833550453186
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0861546993255615
O=C1Cc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2N1,-1.4540014266967773
O=C(NCC[NH+]1CC2(CCOCC2)C1)c1cccc(F)c1,-1.5544981956481934
CC(C)(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2Cl)CCO1,-0.9852390885353088
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.9489082098007202
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.0945223569869995
O=C(Cc1ccccc1)N1CCCN(Cc2ccccc2)CC1,-1.527693510055542
CC(C)(C)c1ccc(NC(=O)c2ccc(N)cc2F)cc1,-0.9995906352996826
CC(=O)C1CCN(C(=O)Nc2ccc(C)cc2Br)CC1,-1.0624377727508545
Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.135388970375061
Cc1cc(F)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-1.0432088375091553
c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.2762075662612915
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.022774338722229
CN(C(=O)c1ccc(N2CCNCC2)cc1)c1ccc(F)cc1,-1.101484775543213
CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,-1.2876543998718262
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8673465847969055
Cn1cc2c(n1)CN(C(=O)NCc1ccc(O)cc1)CC2,-1.0649391412734985
CCc1nc(C(=O)NCc2cccc(F)c2)cs1,-1.375300407409668
Cc1ccc(F)cc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1424586772918701
CC(NC(=O)c1ccccc1N1CCOCC1)C(F)(F)F,-1.1059492826461792
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1591432094573975
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.8634099364280701
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2058756351470947
O=C(Nc1ccc(Cl)nc1)[C@H]1C[C@H](c2ccc(F)cc2)C1,-0.9375723600387573
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.531269907951355
Nc1ccccc1C(=O)Nc1cccnc1-c1ccc(Cl)cc1,-0.9469543099403381
[O-]c1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.241286039352417
Cc1cccc(NC(=O)c2ccccc2N2CCOCC2)c1C,-1.0468659400939941
Cc1ccc2cccc(C(=O)NCC[NH+]3CCCC[C@@H]3C)c2n1,-0.926158607006073
CN1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1805285215377808
CN1CC[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.3734081983566284
O=C1Cc2cc(C(=O)NCc3ccccn3)ccc2N1,-1.2999842166900635
O=C(N[C@@H]1CC12CCCCC2)N1CCN(c2ccccc2)CC1,-1.3201805353164673
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908036470413208
CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.316266655921936
Fc1ccc([C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)cc1,-1.1772487163543701
CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)OC(C)(C)C2)cc1,-1.3115019798278809
Cc1ccc(-c2ccccc2)c(NC(=O)c2ccccc2I)c1,-0.9271242618560791
O=C(NCc1ccccc1F)c1ccc2c(c1)CCCC2,-1.1064170598983765
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1206718683242798
CC[NH+]1CCC(NC(=O)CCc2ccc(F)c(Br)c2)CC1,-0.9998659491539001
C[NH+]1CC[C@H](C(=O)Nc2cn[nH]c2-c2ccc(Cl)cc2)C1,-0.9504097700119019
COC(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1,-1.5711508989334106
c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.40303373336792
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9879429340362549
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2262632846832275
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.159539818763733
C[C@H](C(=O)NCCc1ccc(Br)cc1)N1CC[NH+](C)CC1,-1.2589151859283447
O=C(Cc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1,-1.580910086631775
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9942405223846436
O=C(NCc1ccc(Cl)c(F)c1)[C@H]1CCC[NH+]2CCC[C@@H]12,-0.7810706496238708
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9998759627342224
Cc1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1,-1.0222078561782837
CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.2335158586502075
Cc1ccc(C(=O)N2CCN(c3ccc(F)c4cccnc34)CC2)cc1,-0.565858781337738
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0157994031906128
CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.597436547279358
Clc1ccc(C[C@H]2COCC[NH+]2Cc2ccc(Cl)cc2)cc1,-1.1753934621810913
O=C(C1=NCc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1,-0.8172388672828674
Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)no1,-1.265873908996582
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2610461711883545
CC(C)CC(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.5244847536087036
CC(C)(C)c1occc1C(=O)N[C@@H]1C[C@@H]1C1CCOCC1,-1.2144725322723389
C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(N)=O)C1,-0.95760178565979
COc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.2172555923461914
NC(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-1.0313831567764282
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2626954317092896
N#CNc1ccc(C(=O)NCc2ccccc2)cc1,-1.6255487203598022
Cc1ccccc1NC(=O)C1CCN(c2ccc(Br)cc2)CC1,-0.9410813450813293
Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.528302550315857
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4899206161499023
O=C1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)N1,-1.224786639213562
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Br)cc1F,-0.8694960474967957
Cc1cccc(CCNC(=O)Cc2ccc(Br)cc2Cl)c1,-1.0457428693771362
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531870603561401
O=C(Nc1c(F)cc(-c2ccccc2)cc1Cl)c1ccccc1,-0.8755525946617126
Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2[nH]1,-0.9596916437149048
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9522607326507568
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0596017837524414
Nc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.1493412256240845
O=C(NCCc1ccc(Br)cc1)N1CCC2(CCCC2)C1,-1.433009386062622
O=C(N1CCN(c2ccc(O)cc2)CC1)N1CCOC2(CCCCC2)C1,-1.1750847101211548
Cc1cnccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0641909837722778
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8228521943092346
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.530329704284668
N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1,-1.2643041610717773
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.874262809753418
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0724499225616455
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750800371170044
Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8829690217971802
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588255405426025
Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(N)c1,-0.9953089356422424
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.0288958549499512
O=C(CCc1ccc(Br)cc1)NCc1ccc(F)cc1F,-1.1357500553131104
Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)no1,-1.0097906589508057
Nc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.8135865330696106
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1,-0.6994462013244629
O=C1C(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.4241504669189453
O=C(OCCN=C(O)Cc1ccc(Cl)cc1)c1ccccc1,-1.4975954294204712
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3F)C2)cn1,-1.0378468036651611
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1,-0.9486085176467896
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750864744186401
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2930386066436768
C[NH+]1CCC[C@H](NC(=O)NCCC2CCCC2)C1,-1.6478427648544312
Cc1ccc(CCNCc2ccc3ccc(F)cc3c2)cc1,-1.3240594863891602
O=C(N[C@H]1CCCCC1=O)c1ccc(-c2ccccc2)cc1,-1.338512659072876
Cc1ccc(N(C)C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1365092992782593
CC1CN(C(=O)NC2(c3ccccc3)CCC2)CC(C)O1,-1.5259495973587036
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.323897123336792
COc1ccc(CNC(=O)c2cnc(Cl)s2)cc1,-1.2901945114135742
Cc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9491044282913208
Cc1noc(CC[C@@H](C)CNC(=O)c2ccc(I)cc2)n1,-1.0605826377868652
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503600001335144
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
[NH3+]c1ccc(NC(=O)NCc2ccccc2)cc1,-1.684308409690857
Oc1cc(CNc2ccccc2C(F)(F)F)ccc1F,-1.0006133317947388
Clc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.009922981262207
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.367440104484558
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1,-1.3491674661636353
Fc1ccc(-c2ccc(NCc3cccc(F)c3)cc2)cc1,-1.2322709560394287
Oc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.2076222896575928
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0397589206695557
O=C(c1ccc2cc(O)ccc2c1)N1CCC(c2ccc(F)cc2)CC1,-0.6780545711517334
Cc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)c(C)c1,-0.9668357372283936
O=C(N[C@H]1CCCC[C@@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.9026844501495361
O=C(NCC1CCOCC1)Nc1ccc(Br)cc1,-1.6001198291778564
COCCNc1ccc(C(=O)N2CCCCC2C)cc1,-1.5415375232696533
Oc1ccc(OCc2ccc(F)cc2)cc1,-1.702995777130127
O=C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.454720377922058
CCC(C)(C)NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1830683946609497
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4308075904846191
O=COCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,-1.3853087425231934
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067119359970093
Cc1nc(CCNc2ccc(-c3ccc(F)cc3)cc2)no1,-1.2638804912567139
Nc1ccc(N2CC[NH+](CCCOc3ccccc3)CC2)c(Cl)c1,-1.1531745195388794
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0419650077819824
Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1614232063293457
O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9718003869056702
O=C(COc1ccccc1F)N1CCN(c2ccccc2)CC1,-1.3049113750457764
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431905031204224
C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCN3)CC1,-1.158022165298462
Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.0565128326416016
Cc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2)cc1,-1.1596174240112305
O=C(N[C@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8943707346916199
O=C(NCc1ccc(F)c(F)c1)c1cc2cccnc2o1,-0.9779189229011536
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138299822807312
COC(=O)c1ccc(NC(=O)N2CCCCC2)cc1,-1.6005223989486694
O=C(Cc1ccc(F)cc1)NCc1ccccc1,-1.6602712869644165
Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3947685956954956
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.070921778678894
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.3030951023101807
C[C@@H]1CCC[NH+](C2CCN(C(=O)c3ccc4cc(F)ccc4n3)CC2)C1,-0.4549882709980011
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(F)cc1,-1.1539483070373535
CC(C)(C)CNC(=O)c1ccc(N2CCCC2=O)cc1,-1.306777834892273
Cc1ccc(C[NH+]2CCN(C(=O)c3scnc3C)CC2)o1,-1.0809804201126099
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncsc2c1,-0.7712229490280151
O=C(Nc1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1,-0.8545268774032593
O=C(Nc1ccc2nn[nH]c2c1)N1CCC[C@H]1C1CCCCC1,-0.9201440215110779
C[NH+]1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.5105502605438232
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1106208562850952
CCO[C@H](C(=O)Nc1cc(F)c(F)c(Br)c1)C(C)C,-0.777572512626648
Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9712857604026794
Cc1cccnc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9258373975753784
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2o1,-1.2557824850082397
COc1ccc(NC(=O)C(N)Cc2ccc(F)cc2)cc1,-1.398291826248169
O=C(NCCc1ccccc1)N[C@H]1CC[C@@H](F)C1,-1.6488683223724365
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679317951202393
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3362478017807007
Cc1ccc(NC(=O)c2cc[nH]c2-c2ccc(Br)cc2)s1,-1.0432695150375366
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.3239411115646362
C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1985876560211182
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.203160285949707
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CC(F)(F)F)cc2)C1,-1.0295435190200806
O=C(Nc1ccccc1)C(=O)N1CCC(c2ncco2)CC1,-1.4247467517852783
Cc1cc(Br)ccc1O[C@@H](C)C(=O)N[C@H]1CCC[NH+](C)C1,-1.0588754415512085
O=C(N[C@H]1CC12CCC2)c1ccc(C2CCOCC2)cc1,-1.5546420812606812
O=C(Cc1ccc(O)cc1)NC[C@H](O)Cc1ccccc1,-1.597886323928833
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.327448844909668
O=C(C1CC1)N1CCC2(CCN(Cc3ccccc3)C2)C1,-1.5713447332382202
O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(O)cc2)CC1,-0.8645786046981812
Cc1cccc(NC(=O)NCc2ccccc2)c1,-1.7321791648864746
O=C(Nc1ccccn1)c1ccc(-c2ccc(F)cc2F)cc1,-1.0341944694519043
O=C(c1ccc(F)cc1)N1CC[C@H](C(=O)N2CCCCC2)C1,-1.0772610902786255
Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4674208164215088
O=C(N[C@H]1CC[C@@H](F)C1)c1cn[nH]c1-c1ccc(F)cc1,-0.9124945998191833
OC(=NCc1ccc(OCc2ccccc2)cc1)C1CCOC1,-1.5378355979919434
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2254242897033691
Cc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,-0.9113901257514954
O=C(NCc1cccc(Br)c1)Nc1ccccc1,-1.5740610361099243
CC[NH+]1CCC(CNC(=O)c2ccc(Br)s2)CC1,-1.3097515106201172
[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.3106197118759155
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0863903760910034
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.264343023300171
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(C)c1,-1.0550657510757446
O=C(Nc1cc(F)ccc1N1CCCC1=O)C1CCCCC1,-1.0884947776794434
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9635448455810547
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2677665948867798
Cc1cccc(-c2ccc(NCc3ccc(I)cc3)cc2)c1,-1.3164640665054321
Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1,-1.168845534324646
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203914642333984
Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)C2)c1,-1.1091089248657227
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-1.0625841617584229
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.274747610092163
C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1,-1.250805139541626
Fc1ccc([C@H]2COCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.2618943452835083
O=C(Nc1ccc2c(c1)N=C(O)CCO2)c1ccc(F)c(F)c1,-0.7513455748558044
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0122158527374268
CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4387812614440918
O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)OCO2,-1.0336252450942993
Cc1ccc(CNC(=O)N2CCCC[C@@H]2C2CCOCC2)nc1,-1.1791902780532837
CCCCCCCCCCCCCCCCNC(=O)c1ccc(CCCC)cc1,-1.4673813581466675
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.7053401470184326
Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.8778007626533508
CCc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.137885570526123
O=C(Nc1ccccc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9544923305511475
Cc1ccc([C@@H]2CCCC[C@@H]2NC(=O)[C@H]2CCCC[NH+]2C)cc1,-1.0123724937438965
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0375806093215942
NC(=O)c1cccc(NCc2ncc3cc(Cl)ccn23)c1,-0.8951312899589539
CCOc1ccc(NC(=O)c2cc(Br)no2)cc1,-1.5077457427978516
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.2010678052902222
Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.0569226741790771
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nc[nH]c2c1,-0.889141857624054
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9721274375915527
O=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CCCCC1,-1.411656379699707
[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.953919529914856
CCOc1ccc(N)cc1,-1.9539170265197754
O=C(c1ccc([O-])cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0384160280227661
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.204655647277832
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)n[nH]1,-1.0068491697311401
O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.3949897289276123
CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0696673393249512
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0273686647415161
CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.4029877185821533
Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCCO3)CC2)cc1Br,-1.2874585390090942
O=C(Nc1ccc(Cl)cc1)N1CCCC(N2CCCC2=O)C1,-1.0209503173828125
COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.5936059951782227
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111640214920044
C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.0962073802947998
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3684628009796143
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1262004375457764
[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9299916625022888
Cc1nc(CNC(=O)COc2ccccc2)cs1,-1.6619645357131958
CC1(C)CC(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.403734564781189
CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-0.9595736265182495
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)ns1,-0.9200207591056824
O=C(N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1F)c1ccccc1,-0.9380359053611755
Cc1ccc(CCNC(=O)[C@H](C)[NH+]2CCN(C)CC2)cc1,-1.3581912517547607
O=C(c1ccc2nc(O)ccc2c1)N1CCC(c2ccc(F)cc2)CC1,-0.5771534442901611
O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.506410002708435
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2768993377685547
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Br)CC1,-0.8297656774520874
CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.6369588375091553
Cc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1,-0.8546018600463867
O=C(Cc1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1,-1.452945590019226
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2171738147735596
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.825614333152771
Cc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1,-1.2052485942840576
Cc1ccc(C2CCCN(C(=O)Nc3cnn(C)c3)C2)s1,-1.0119928121566772
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)nn1,-0.9454274773597717
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.8976137638092041
Cc1ccc(C(=O)Nc2cccc(N=C(O)c3ccccc3)c2)cc1,-1.1987192630767822
CC(C)Cc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1,-1.272849202156067
O=C(Nc1ncccc1I)N1CCN(c2ccc(F)cc2)CC1,-0.7303184866905212
O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5151654481887817
CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1587944030761719
Cc1ccc(O)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1,-1.0949262380599976
Cc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.2118313312530518
c1ccc(CN2CCC3(CC[NH+]3Cc3ccccc3)C2)cc1,-1.5649058818817139
O=C(Nc1ccccc1Cl)N1CCO[C@@H](c2ccc(O)cc2)C1,-1.1404075622558594
Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.0153939723968506
c1ccc(CNCc2nnc(C3CCCC3)o2)cc1,-1.6041861772537231
Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)s1,-1.04279363155365
CC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CCCCC1,-1.5613032579421997
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9207674860954285
Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3675495386123657
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.143343210220337
CC1(C)CN(C(=O)c2ccc(O)cc2)CCN1c1ccc(F)cc1,-0.8720576167106628
O=C(NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1,-0.8702694177627563
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0374829769134521
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.137550711631775
Cc1ccc(NC2CCN(C(=O)c3ncccc3N)CC2)cc1,-1.0776574611663818
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.662579894065857
O=C(NCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1,-1.186173677444458
CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1,-1.5668588876724243
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.296323299407959
CS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1,-0.8284398317337036
Nc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1N,-1.1538549661636353
O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9561455845832825
Cc1nc2cc(C(=O)NCc3ccc(I)cc3)ccc2o1,-0.9541566371917725
CC(C)c1nc(CNC(=O)[C@@H]2CCCSC2)no1,-1.225650668144226
Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc(C)c1Cl,-0.5596435070037842
CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.304745078086853
Cc1ccc(NCc2ccc(-c3ccccc3)nc2)cc1C,-1.208239197731018
Cc1ccc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)n1,-0.8620578050613403
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1902620792388916
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9291403293609619
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.245726227760315
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641958951950073
O=C(NCc1ccccc1)N1CC[C@H](O)C2(CCCC2)C1,-1.5509560108184814
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2700225114822388
Cc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3)C2)c(F)c1,-1.1685203313827515
C[C@@H](C(=O)NCC[C@H]1CCc2ccccc2C1)[NH+]1CCOCC1,-1.2697467803955078
Cc1ccc(OC[C@@H]2CCCN(C(=O)C(N)=O)C2)cc1,-1.5150526762008667
Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1Cl,-1.0698306560516357
CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1,-1.546029806137085
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1946438550949097
O=C(NCc1ccc(F)cc1)N1CCC[C@@]2(CCOC2)C1,-1.5331677198410034
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(O)cc1Cl,-1.0125627517700195
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1391963958740234
C[C@H]1CCCC[NH+]1C[C@H](O)CNC(=O)c1c[nH]c2ccccc12,-1.15164053440094
Cc1ccc2[nH]cc(C(=O)NCc3cccc(F)c3)c2n1,-0.9372554421424866
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.081984281539917
COc1ccc(C(=O)N2CCN(c3cccc(N)c3)CC2)cc1,-1.1058961153030396
Cc1ccc(-c2ccc(C(=O)N3CCOC4(CCOCC4)C3)cc2)cc1,-1.2411423921585083
CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.136178970336914
O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9732357263565063
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)nc1,-1.009135365486145
O=C(NCc1ccc(F)c(F)c1)c1ccc2n[nH]nc2c1,-0.7368163466453552
CN1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1=O,-1.2709077596664429
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.0377775430679321
Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.947571337223053
O=S1(=O)CC[C@H](NCc2nc(-c3ccccc3)no2)C1,-1.5298959016799927
Nc1ccc(OCC2CCCCC2)cc1,-1.770591378211975
Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3053911924362183
O=C(Nc1ccc(Br)cc1)Nc1nc2cc(F)ccc2s1,-0.7742536664009094
Cc1ccc2oc(CNC(=O)c3ccc(F)cc3)cc2c1,-1.180663824081421
O=C(NCc1ccc(I)cc1)Nc1ccccc1,-1.5243881940841675
O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9378838539123535
CC(C)(C)OC(=O)N1CCCN(c2ccc(Br)cc2)CC1,-1.4153519868850708
CC(C)[C@@H](C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1,-1.304511547088623
Cc1ccc(O)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1845316886901855
O=C(Nc1cccc(Cl)c1F)c1ccnc(N2CCCCC2)c1,-0.7636454105377197
COC(=O)CCNCc1ccccc1-c1ccccc1,-1.6067874431610107
O=C(Nc1ccc2[nH]cnc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8416765928268433
Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9475830793380737
O=C(NCc1ccc(I)cc1)[C@H](O)CCc1ccccc1,-1.4338088035583496
O=C(NCCc1ccccc1)N[C@H]1CC[C@@H](O)C1,-1.6919173002243042
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)n1,-1.0430899858474731
O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1,-1.1147912740707397
CCOc1ccc(COc2ccc(O)cc2C)cc1,-1.5933475494384766
Cc1cc(NCc2ccc(I)cc2)nc(-c2ccccc2)n1,-0.9080703854560852
CC(C)[C@H](NC(=O)Cc1ccc(I)cc1)C1CCCCC1,-1.1332226991653442
C[NH+]1CCCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1,-1.31343412399292
O=C([C@H]1CCOC2(CCCCC2)C1)N1CCC(c2cccc(F)c2)CC1,-1.0252758264541626
Cc1nc(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n[nH]1,-0.9244260787963867
CC(O)=Nc1cccc(N2CCN(C(=O)C3CCC(C)CC3)CC2)c1,-0.8757144212722778
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2756701707839966
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,-0.8096327781677246
CC1(C)CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1,-1.2962106466293335
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cn1,-0.8646330833435059
Cc1ccccc1OC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.07463800907135
CC1(O)CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1,-1.5521690845489502
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.9769461750984192
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0951815843582153
O=C(Nc1ccccc1)C(=O)c1ccc(N2CCCC2)cc1,-1.485249638557434
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1O,-1.3615175485610962
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7586839199066162
O=C(N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1,-1.444692611694336
O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CCc1ccccc1,-1.1755890846252441
C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1747422218322754
Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4467084407806396
O=C(O)CCCC(=O)c1ccc(NCc2ccccc2)cc1,-1.5600522756576538
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9958394169807434
Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.341983675956726
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.1890209913253784
Cc1cc(NCc2ccc(-c3ccccc3)cc2)nc(C)n1,-1.077186107635498
O=C(N[C@@H]1CC[C@@H](F)C1)c1scnc1-c1ccc(F)cc1,-0.8402451276779175
CC(C)NC(=O)Cc1ccc(N2CCN(C)C2=O)cc1,-1.212346076965332
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0429832935333252
Oc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.4445960521697998
C[NH+]1CC[C@@H](NC(=O)Cc2ccccc2)C[C@H]1c1ccccc1,-1.3961642980575562
C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1,-1.4316654205322266
C[C@H]1CCc2ccc(C(=O)NC[C@H]3CCCCO3)cc2C1,-1.4098681211471558
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2477284669876099
O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3539315462112427
C[C@H](Cc1ccc(F)cc1F)NC(=O)c1cccc(Cl)c1,-0.875465452671051
CCCNC(=O)c1ccc(OC2CCCCCC2)cc1,-1.5959385633468628
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0082051753997803
CCc1c(C(=O)NCC2CCCCC2)cnn1C,-1.2700310945510864
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cccc(F)c1,-0.6690425872802734
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCN1,-1.4995598793029785
Cc1nc2c(s1)CN(C(=O)NC[C@@H]1CCCC1(C)C)CC2,-0.6392336487770081
Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.1406326293945312
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.1244404315948486
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ncccc1F,-0.9522011280059814
O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1cccc(Cl)c1,-1.2723069190979004
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9249515533447266
CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.047942042350769
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.071785569190979
O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2[nH]1,-1.1353487968444824
CCCN=C(O)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1,-1.1014699935913086
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112883567810059
CC(C)[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCCCC1,-1.2850558757781982
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-0.9820964932441711
Cc1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1F,-0.9828842878341675
CCCNC(=O)[C@@H]1CCCN(c2ccc(OC)cc2)C1,-1.5792977809906006
CC(=O)N1CCN(CCN2CCN(c3ccccc3)CC2)CC1,-1.3736329078674316
Nc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2904118299484253
Cc1ccc([C@H]2C[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1,-1.2027812004089355
O=C(Cc1ccc(F)cn1)N1CC[NH+](Cc2ccccc2)CC1,-1.2665400505065918
C[NH+]1CCN(c2ccc(OCc3ccc(O)cc3)cc2)CC1,-1.4711072444915771
Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1643692255020142
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852996110916138
C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2744908332824707
c1ccc(-c2ccc(C[NH+]3CCN(c4nncs4)CC3)cc2)cc1,-1.103611946105957
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0009076595306396
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.0173510313034058
O=C(Nc1ccc(I)cc1)c1ccc(CC(F)(F)F)cc1,-1.152166485786438
Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.080632209777832
COc1ccc(CNC(=O)c2cc(Cl)no2)cc1,-1.5585039854049683
Cc1cc(F)ccc1NC(=O)N1CCC(C(C)(C)C)CC1,-0.9884647727012634
C[NH+]1CCN(CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1,-1.23819100856781
CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.2600183486938477
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.457297921180725
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0621110200881958
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0658496618270874
Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1,-1.0767372846603394
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cn1,-1.0202515125274658
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6932282447814941
O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](C[NH+]2CCOCC2)C1,-1.0143972635269165
Fc1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1Br,-1.0067218542099
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cn1,-0.9327266216278076
O=C(O)c1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1,-1.0408145189285278
O=C(Nc1ccc(O)cc1O)c1ccc(N2CCCCC2)cc1,-1.240818738937378
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1379512548446655
Cc1ccc(C(=O)NC[C@H]2CCc3cc(Br)ccc3O2)[nH]1,-1.146280288696289
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-0.9999827742576599
Cc1cnc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9956348538398743
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-1.0795785188674927
N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6249361038208008
CC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](N2CCCC2=O)C1,-1.2247440814971924
O=C(NCC1CCOCC1)Nc1ccc(I)cn1,-1.4827333688735962
CC1(C)CCCN(C(=O)NC(=O)c2ccc(F)cc2)C1,-1.321469783782959
CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)C2CCCCC2)C1,-1.1804087162017822
CCC(Cl)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.119469404220581
c1ccc(OCc2ccc(-c3ccc4ccccc4n3)cc2)cc1,-1.168966293334961
Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5051804780960083
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1789947748184204
c1ccc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)cc1,-1.333059549331665
CC(C)c1ccc(NC(=O)N2CCS(=O)(=O)C2)cc1,-1.5887510776519775
O=C(Nc1ccc(C2CCOCC2)cc1)C1CCC(F)(F)CC1,-1.2775499820709229
Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)s1,-0.9305004477500916
O=C1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.3631469011306763
COc1ccc(-c2ncccc2C(=O)N2CCC[C@H](C)C2)cc1,-1.001341700553894
C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)CC[NH2+]1,-1.0997378826141357
Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)on1,-1.039884090423584
Cc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3N)CCO2)cc1,-1.1525580883026123
C[C@@]1(O)CCC(NC(=O)c2cccc(N3CCCC3)c2)C1,-1.5234044790267944
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.708066463470459
Cc1cccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1,-0.8409086465835571
[NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1,-1.4034825563430786
Cc1ccc(CNC2CCN(c3cccc(Cl)c3)CC2)cc1,-1.1513323783874512
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056511402130127
Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5624498128890991
OC1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1,-1.4834786653518677
Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1F,-1.2550461292266846
COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.176832914352417
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2017974853515625
Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cs3)C2)cc1,-1.0177587270736694
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9107745885848999
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1O,-1.018293857574463
Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)o1,-1.3397499322891235
O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5118480920791626
O=C(Nc1ccc2ccsc2c1)N1CCC(c2nn[n-]n2)CC1,-0.7905576825141907
O=C(NCc1ccc(Cl)nc1)N1CCC2(CCCO2)CC1,-1.4718469381332397
O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[NH+]2CCC[C@@H]2C1,-0.7928552627563477
O=C(Cc1ccccc1F)N1CCN(Cc2ccncc2)CC1,-1.2331550121307373
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.3917186260223389
CC[NH+]1CCC[C@H]1CNC(=O)C1=C(C)CN=C1C,-1.237072229385376
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2719939947128296
COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.024369716644287
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl,-1.0088775157928467
O=C(CNCc1ccccc1)Nc1ccccc1,-1.7306925058364868
Cc1ccc(CNC(=O)Cc2cc3ccccc3o2)cn1,-1.3385974168777466
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0565407276153564
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-1.0138812065124512
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2514088153839111
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.377848744392395
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1280484199523926
C[C@@H]1CCCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.3920527696609497
Cc1ccc(CNC(=O)CC(C)(C)c2ccccc2)cc1,-1.5534992218017578
CCN1CCN(C(=O)COc2ccc(OC)cc2)CC1,-1.612810730934143
CC(C)(C)CC(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.5860841274261475
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1636931896209717
C[C@@H]1CC[NH+](CCNC(=O)N2CCOC3(CCCC3)C2)C1,-1.6225731372833252
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.217819094657898
CN1CC[NH+](Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1,-1.2974234819412231
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1665623188018799
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(F)c1,-1.0337750911712646
CC(C)(C)c1ccc(OCc2ccc(N)c(F)c2)cc1,-1.2144593000411987
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1338986158370972
CC(C)(C)C(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1,-1.0133177042007446
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1,-1.308225393295288
Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)o1,-1.1574833393096924
Cc1ccc(N2CCN(C(=O)N(C)CCC(=O)[O-])CC2)cc1,-1.192403793334961
CC[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1,-1.2599129676818848
O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1,-1.3468281030654907
Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.1748297214508057
O=C(NCC1CCCCC1)N1CC[NH+](CCCO)CC1,-1.5988808870315552
C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3515206575393677
C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1Cl,-0.7640217542648315
O=C(NC[C@@H](O)c1cccc(F)c1)c1ccc(Cl)c(F)c1,-1.0441672801971436
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9453319311141968
O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,-0.892884373664856
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C)c1,-1.1082327365875244
O=C(CNc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.1372917890548706
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238619089126587
c1ccc(-c2nc(NCC3CCCCC3)c3ccccc3n2)cc1,-0.9848240613937378
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.130502700805664
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(S)cc1,-1.5597856044769287
Nc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1,-1.0922040939331055
COC1CCN(C(=O)C2CCC(c3ccc(F)cc3)CC2)CC1,-1.0908089876174927
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110869765281677
O=C(NCC(O)=NCCc1ccccc1)c1cccc(O)c1,-1.5365474224090576
C[NH+]1CCC(CNC(=O)[C@H]2CCOC3(CCCC3)C2)CC1,-1.554409146308899
C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.066857099533081
Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)nc2)cc1,-0.9752445816993713
O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8973192572593689
O=C(COc1ccccc1F)N1CCN(c2ccccc2)CC1,-1.307891845703125
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.141978144645691
CC1(C(=O)O)CCN(Cc2cc(-c3ccccc3)on2)C1,-1.5264495611190796
C[NH+]1CCO[C@H](CNC(=O)N2CCCC3(CCCC3)C2)C1,-1.5558885335922241
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.1847307682037354
C[C@H]1CCCN(C(=O)NCC(=O)c2ccc(Br)cc2)C1,-1.2041090726852417
O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.9248062372207642
O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.4887419939041138
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.3698230981826782
CC1(C)C[NH+](CCNC(=O)c2cccc(F)c2F)CCO1,-1.2465373277664185
O=C(C[NH+]1CCCC2(CCCC2)C1)NCc1ccccc1,-1.6142743825912476
Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)cc1,-1.324505090713501
O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9644814133644104
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1906629800796509
Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2107617855072021
O=S(=O)(NCc1ccccc1)c1sccc1-c1ccccc1,-1.481763243675232
Fc1cc(F)c(CN2CCN(Cc3ccccc3)C2)cc1F,-0.9495448470115662
COCCCNC(=O)N1CCC[C@H](c2ccccc2)C1,-1.6487194299697876
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749880075454712
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.949142575263977
Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.085923194885254
Cc1nc(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)no1,-0.8000397682189941
Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3636796474456787
CCOc1ccc(C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1,-1.5157864093780518
C[NH+]1CCN(c2ccc(NC(=O)N3CCCC3=O)cc2)CC1,-1.329129695892334
Cc1ccc([C@H]2C[C@H](C(=O)N3CCC(CO)CC3)CCO2)cc1,-1.3559467792510986
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0362324714660645
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCc2ccc(Cl)cc2C1,-0.4197775423526764
Nc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1F,-1.12981116771698
Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0631160736083984
Nc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.269418716430664
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.296883463859558
CC1(C)C[C@@H](CN2CC[NH+](Cc3ccccc3)CC2)CCO1,-1.5699411630630493
OC1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.4192681312561035
O=C(Nc1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1,-1.0269994735717773
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0142099857330322
CC(C)c1sccc1C(=O)NCc1ccccc1,-1.5600682497024536
CC(=O)NCc1ccc(CC2CCCCC2)cc1,-1.6648297309875488
Cc1ccc(C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)s1,-0.8942976593971252
O=C(NC1CC(c2cccc(O)c2)C1)c1cccc(F)c1,-1.2198582887649536
Cc1ccc(C[NH+]2CCC[C@H](C(=O)N3CCOCC3)CC2)cc1,-1.4397395849227905
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135059118270874
Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2928521633148193
Cc1ccc(C[NH+]2CCN(C)C[C@H]2CC2CCOCC2)cc1,-1.4255470037460327
C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2892866134643555
CCC[C@@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.5077180862426758
Nc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9107588529586792
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5049532651901245
CC1(C)CN(C(=O)NCc2cc3ccccc3o2)CCO1,-1.5367859601974487
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9682556390762329
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.379059076309204
C[C@H](CC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCC[NH+]1C,-1.3712526559829712
COc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1,-1.2714428901672363
Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n[nH]1,-1.007688283920288
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0630589723587036
Cc1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.3666061162948608
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(Br)cc1F,-0.8268976807594299
NCc1ccccc1,-2.069972515106201
O=C(NC1CCCC1)C(=O)N1CCC[C@@H](c2ccccc2)C1,-1.5158147811889648
Cc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1,-1.0620354413986206
c1ccc(-c2cc(CNc3ccc4c(c3)OCO4)no2)cc1,-1.3746182918548584
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.159582495689392
O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.2627403736114502
Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3725911378860474
C[C@@H]1C[C@@H](C(=O)NC2CCCCC2)CCN1c1ccc(F)cc1,-1.0195248126983643
Cc1nc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cs1,-0.9062097072601318
O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.038596510887146
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.059432864189148
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.44530799984931946
O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9262573719024658
O=C(Nc1ccccc1O)C1CCN(c2ccc(F)cc2)CC1,-1.0391201972961426
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0081255435943604
O=C(NCc1ccc(Cl)cc1)N1CCCC[C@H]1C1CCOCC1,-1.164219856262207
CCONC(=O)c1ccc(-c2noc(C)n2)cc1,-1.5857913494110107
O=C(N[C@H]1CCCN(c2ccc(F)cc2)CC1)[C@@H]1CCCCO1,-1.430910587310791
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.142453908920288
CCOc1ccccc1NC(=O)c1cc(C)[nH]n1,-1.5834401845932007
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1999717950820923
CC[C@H](C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.4999390840530396
O=C(C[C@H]1CCCCO1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4913127422332764
O=C(NC1CC(F)(F)C1)N1CC[NH+](C2CCCCC2)CC1,-1.0847795009613037
COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1,-1.1191840171813965
Cc1cccc(C2CCC(NC(=O)c3ccccc3Cl)CC2)c1,-0.9433132410049438
O=C(Nc1cc(-c2ccccc2)ccc1F)c1ccc(O)cc1,-1.12466561794281
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4691035747528076
Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)nn1,-1.0831806659698486
CCC(Oc1ccccc1)C(=O)Nc1cc(F)ccc1C,-1.540921926498413
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)on1,-1.1981866359710693
Clc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br,-1.039398193359375
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1301144361495972
O=C(CN1CCCC1=O)Nc1ccc(N2CCSCC2)cc1,-1.2858625650405884
CC(C)Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.416833519935608
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1287165880203247
O=C(Cc1ccc(Br)cc1)Nc1cnn(C2CCCC2)c1,-1.2330875396728516
O=C(Nc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H](O)C1,-1.4644912481307983
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.338876724243164
Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(N)c1,-1.0142916440963745
CC1CCC(NCc2ccc(N3CCN(C)CC3)cc2)CC1,-1.3737431764602661
Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3782627582550049
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2253645658493042
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cn2)CC1,-0.8260738849639893
O=C(c1cc(Cl)[nH+]c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.3737633526325226
CCC(C)C(=O)N1CCC(NCc2ccc(F)cc2)CC1,-1.259678602218628
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2cc[nH]c2c1,-1.1552038192749023
Cc1cccc(C2CCN(C(=O)Nc3ccccc3I)CC2)c1,-0.9051926732063293
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([O-])cc1Cl,-1.2064579725265503
CN1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.1948238611221313
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.067136287689209
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1074289083480835
CC(C)c1cnc(C(=O)NCc2ccccc2)s1,-1.4178059101104736
Nc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.2484190464019775
OC(=NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)C1,-1.022092342376709
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0618289709091187
O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0950078964233398
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.064117431640625
Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1,-1.0283762216567993
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1572937965393066
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1013822555541992
COc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1,-1.2986583709716797
C[C@@H]1CC[NH+](C[C@H]2CCN(C(=O)c3ccc(Cl)nc3)C2)C1,-0.9941502213478088
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.0084668397903442
Nc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9859466552734375
CCOC(=O)C1CCCN(C(O)=NCc2ccc(Cl)cc2)C1,-1.3847625255584717
C[NH+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0149619579315186
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0710725784301758
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1947699785232544
CCOc1ccc(CNc2ccccc2O)cc1Br,-1.4053140878677368
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1108064651489258
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9436945915222168
C[C@@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.0504149198532104
Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9781543612480164
C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.064394474029541
O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9589247107505798
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1569784879684448
O=C(Nc1ccc(Cl)nc1)C1CCN(c2ccccc2F)CC1,-0.8021999597549438
O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.5044664144515991
Cc1cc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C,-0.5163336396217346
CC(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5110325813293457
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br,-1.0764650106430054
CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)[nH]n2)C1,-1.298604965209961
CC1(C)CC[C@H](NC(=O)c2ccsc2-c2ccccc2)C1,-1.2995433807373047
COc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1,-1.6275254487991333
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.101307988166809
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1,-1.2921173572540283
CC1(C)CCN(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1,-1.3545193672180176
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.8247287273406982
Clc1ccc(NCc2ccccc2)cc1,-1.7739112377166748
Cc1ccc(C(=O)NCc2cc3ccc(Br)cc3o2)cc1,-1.0846788883209229
Cc1csc(NC(=O)N[C@H]2CCCC3(CCCCC3)C2)n1,-1.3186721801757812
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1O,-0.9887871146202087
Cc1ccc(Br)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.107853651046753
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0692026615142822
O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2629058361053467
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1956725120544434
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135037660598755
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.405434012413025
Cc1ccc(-c2ccccc2NCc2ccc(O)cc2)cc1,-1.337111234664917
O=C(c1ccccc1Cl)N1CCN(c2ccc3c(c2)OCCCO3)CC1,-0.7399501800537109
O=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1,-1.445359468460083
CC(C(O)=NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1,-1.0751001834869385
COc1ccc(C(=O)NC[C@H]2CC[C@@H](F)C2)cc1,-1.5890870094299316
COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4095333814620972
CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2F)CC1,-1.0892091989517212
CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.5032378435134888
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1CCC(F)(F)F,-0.9786798357963562
Cc1cc(NC(=O)N[C@H]2C[C@@H]2C2CCOCC2)ccc1F,-1.1693521738052368
Fc1ccc(COC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2689405679702759
CC1(C)CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-1.0178388357162476
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(N)cc2)CC1,-1.1251471042633057
C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9523651599884033
Oc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3803735971450806
O=C(NCC(O)c1ccc(F)c(F)c1)c1ccc(Br)cc1,-0.9275752305984497
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368093252182007
O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0919945240020752
Cc1ccc(C(=O)NCc2c(C)oc3ccccc23)cc1,-1.1341286897659302
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3861651420593262
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.183794617652893
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9700140953063965
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9568939805030823
O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4004298448562622
CCc1cccc(NC(=O)CNc2ccccc2F)c1,-1.5357015132904053
O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)s2)CC1,-0.7786058783531189
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)no1,-1.1201233863830566
O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.947996973991394
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3284379243850708
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cn1,-0.8878709673881531
Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9617317318916321
Nc1ccc(-c2ccc(NCc3ccc(F)cc3)nn2)cc1,-1.0131721496582031
O=C(Nc1ccc(-c2ncco2)cc1)c1nc2ccccc2s1,-0.9529975652694702
c1ccc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)no2)cc1,-1.2132498025894165
NN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2164808511734009
O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2o1,-1.4370300769805908
Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9673988223075867
Cc1cc(F)ccc1C(=O)N1CCC(C[NH+]2CCCCC2)CC1,-0.9821439385414124
Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(Br)c1,-1.1714900732040405
Cc1ccc(NC(=O)N2CC[NH+](CC(F)(F)F)CC2)cc1,-1.1738568544387817
Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2035908699035645
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccccc2F)C1,-0.8997560739517212
O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.5059194564819336
O=C1CCc2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2N1,-0.7599385380744934
O=C(c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1,-1.0543235540390015
O=C(c1ccc2nn[nH]c2c1)N1CCC(OC2CCCC2)CC1,-0.8857109546661377
O=C(c1ccccc1)N1CCC[NH+](Cc2ccc(Br)cc2)CC1,-1.264570951461792
Cc1ccccc1[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cn1,-0.8424845337867737
Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1961063146591187
CCOc1ccc(NC(=O)c2cnc(Br)o2)cc1,-1.556993007659912
NC(=O)c1ccc2c(c1)OCCO2,-1.806566834449768
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1692301034927368
Cc1ccccc1C(=O)N[C@H]1CC[C@@H](c2ccccc2)[C@H](C)C1,-1.0550670623779297
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1387770175933838
Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)no1,-1.1549928188323975
Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Br,-1.2222964763641357
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(I)cc1,-1.0779153108596802
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.269389033317566
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.8877777457237244
Cc1ccc(N2CCC(N(C)C(=O)c3ccccc3)CC2)cc1,-1.1388148069381714
Cc1ccc(C(=O)N[C@H]2CC[NH+](C3CCC(C)CC3)C2)o1,-1.2408148050308228
Cc1cc2c(o1)C[NH+](CC(=O)NCc1ccccc1)CC2,-1.5124694108963013
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329925775527954
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0785940885543823
O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cscc2Br)CC1,-1.026658296585083
CC(C)NC(=O)Nc1ccc(-c2ccon2)cc1,-1.6080718040466309
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.144093632698059
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.1413543224334717
C[NH+]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1,-1.257051706314087
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.025443434715271
O=C(NCCc1cscn1)Nc1ccc(Br)cc1,-1.5089436769485474
O=C(Nc1ncccc1F)N1CCC(c2ccc(Cl)cc2)CC1,-0.7742328643798828
Cc1cc(-c2ccccc2)ccc1OCc1cccc(Br)c1,-1.207114577293396
c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0787345170974731
O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.680184006690979
Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9029179811477661
C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4447053670883179
CC(C)c1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1,-0.5715600252151489
Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568345785140991
CC(C)n1c(Cc2ccc(F)cc2)nnc1-c1ccccc1,-0.8673527240753174
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0645420551300049
O=C(Nc1ccccc1O)N1CCOC[C@H]1c1ccc(Br)cc1,-1.0870249271392822
Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.2582991123199463
CC(O)c1ccc(NC(=O)CCC(=O)N2CCCCC2)cc1,-1.509379506111145
CCCCCCCCCCCCc1ccc(NC(=O)C2CCCCC2)cc1,-1.5049595832824707
Cc1ccccc1C(=O)NCCCOc1ccccc1,-1.6238019466400146
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0270413160324097
Cc1ncccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9248198866844177
CC1(C(=O)N2CC3(CC[NH+](Cc4cccnn4)C3)C2)CC1,-1.2988284826278687
O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.4821034669876099
Clc1ccc([C@H]2COCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.1909329891204834
COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)Br)CC2)cc1,-1.1931289434432983
Cc1nc2cc(C(=O)NCc3cccc(N)c3)ccc2[nH]1,-0.9473578929901123
O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6341277360916138
O=C(NC1CCCCC1)c1ccc(=O)n(-c2ccccc2)n1,-1.2290936708450317
Nc1ccc(Br)cc1C(=O)N1CCN(C(=O)C2CCC2)CC1,-0.8087072372436523
O=C(Cc1ccc(F)cc1)Nc1cccc2c1OCO2,-1.3814446926116943
Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.069728136062622
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cn1,-0.9982420802116394
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2[nH]cnc2c1,-1.1968477964401245
Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0267665386199951
Nc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(F)c1,-1.031266689300537
Fc1ccc(CNc2cc(F)ccc2-c2ccccc2)cc1,-1.167127251625061
C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1412547826766968
CCOc1ccc(CNCCS(=O)(=O)Cl)cc1,-1.663404107093811
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0012786388397217
CCCc1ccc(C(=O)N[C@H]2CCOC3(CC[NH2+]CC3)C2)cc1,-1.5058954954147339
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846244096755981
c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.2716721296310425
COc1cccc(C(=O)N2CCC(c3cccc(N)c3)CC2)c1,-1.0787323713302612
O=C(c1ccc(F)cc1)N1CCC(C(O)=NCc2ccccc2)CC1,-1.0820164680480957
O=C(NCc1cn[nH]n1)c1ccccc1C1CC1,-1.379332423210144
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2671409845352173
O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4975181818008423
CCN=C(O)N1CCC(CNC(=O)c2ccccc2F)CC1,-1.2213914394378662
CCS(=O)(=O)N1CCC[C@H](NC(=O)c2ccccc2F)C1,-1.2863123416900635
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8993733525276184
O=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(F)cc2F)C1,-0.8576192259788513
CC(C)(C)C(=O)Nc1ccc(NC(=O)CC#N)cc1,-1.568608283996582
c1ccc([C@@H]2CCCC[NH+]2Cc2ccc(N3CCCC3)cc2)cc1,-1.4342737197875977
O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9573724865913391
Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3Cl)C2)cc1,-0.9523040056228638
Cc1ccc(S(=O)(=O)NCc2cc(F)c(F)c(F)c2)cc1,-0.9329890608787537
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0675296783447266
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1,-1.1176751852035522
O=C1Cc2cc(CNC(=O)C3CCCCC3)ccc2N1,-1.3353103399276733
CC1CC(NCc2ccccc2)CCN1c1ccc(F)cc1,-1.324354648590088
C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)C1,-1.0442167520523071
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324540615081787
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.202879786491394
Cc1ccccc1CC(=O)N1CCN(Cc2ccccc2)CC1,-1.430070400238037
O=C(NC[C@@H]1CC2(CCC2)O1)c1ccc(F)c(Br)c1,-1.2637014389038086
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.888617217540741
Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5461475849151611
O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.8989730477333069
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2200947999954224
O=C(O)c1ccccc1CNCc1ccccc1,-1.6588066816329956
C[C@@H](C(=O)N(C)Cc1ccc(F)c(F)c1)[NH+]1CCCCC1,-1.0307044982910156
CN1CCCc2cc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc21,-0.5023379325866699
O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1,-1.2542691230773926
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccs2)CC1,-1.066985845565796
O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-1.0803158283233643
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846267938613892
O=C(N[C@H]1CC[C@@H](F)C1)N1CCC[C@@H]1c1ccc(Cl)cc1,-0.9279685616493225
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.027853012084961
Cc1ccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.8062586784362793
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019543886184692
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2007986307144165
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2575427293777466
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.035412311553955
O=C(N[C@H]1C[C@@H]1C1CCOCC1)[C@@H]1CCN(c2ccccc2)C1,-1.2430939674377441
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.575873851776123
O=C(Nc1cc(F)ccc1O)N1CCN(c2ccccc2)CC1,-1.0926361083984375
CC(C)(CC(=O)O)c1ccc(OCc2ccccc2)cc1,-1.584425687789917
O=C(N[C@@H]1CCCN(c2ccc(F)cc2F)C1)[C@@H]1CCCC[NH2+]1,-0.8107575178146362
Cc1ccc(N2CCNC2=O)cc1,-1.7650384902954102
Cc1ccc(COc2cc(C)ccc2-c2ccccc2)cc1,-1.3820009231567383
O=C(Nc1cc(F)ccc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.8173226714134216
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508827209472656
CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccccc1)c1ccccc1,-1.3801690340042114
CN1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2453243732452393
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8217387795448303
O=C(Nc1ccc(-c2ccccc2)cc1)C1CC(F)(F)C1,-1.2880762815475464
Cc1ccc(-c2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)cc1,-1.24896240234375
C[C@H]1C[NH+](C2CCN(C(=O)Nc3ccccc3F)CC2)CCO1,-1.1282404661178589
Cc1nc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n[nH]1,-0.8641282320022583
Cc1cc(F)ccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1,-1.1235791444778442
CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1,-1.221057415008545
O=C(CCCc1ccc(Cl)cc1)NCc1ccc(Br)cc1,-1.4487929344177246
COc1ccc(C(N)=O)cc1,-1.8730539083480835
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2911055088043213
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.10741126537323
C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.0720958709716797
CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2Br)cc1,-0.881636917591095
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8698272109031677
C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H](F)C3)cc2)CC1,-1.0241175889968872
O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.298408031463623
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1411168575286865
O=C(NC1CC1)c1ccc(C[NH+]2CCCC2)cc1,-1.6277134418487549
O=C([O-])C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,-1.0701909065246582
C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.5219361782073975
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.8556133508682251
COc1ccc(C[NH+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1,-0.997681200504303
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110218048095703
Cc1ccc(-n2nc(C(=O)N3CCOC4(CCCC4)C3)cc2C)c(F)c1,-0.6443418264389038
Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2O)c(N2CCCCC2)c1,-1.068250060081482
Oc1cc(Br)ccc1C[NH+]1CCC(Cc2ccccc2)CC1,-1.245896816253662
Clc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.240995168685913
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5304005146026611
Nc1ccc(CNC(=O)c2cc3ccc(F)cc3[nH]2)cc1,-1.0263774394989014
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.200670599937439
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9647223353385925
CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.7578188180923462
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)C3)cc1,-1.2115414142608643
O=C(c1ccc(CN2CCCCC2)cc1)N1CCN=C(O)C1,-1.309909462928772
C[NH+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CCCC(C)(C)C)C2)C1,-1.4343998432159424
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599827527999878
C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.98478102684021
c1ccc(C[NH+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1,-1.273383617401123
C[C@@H]1CCCN(C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.8927749395370483
O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccccc2)cc1,-1.2464932203292847
C[NH+]1CCN(c2ccccc2C(=O)NC(C)(C)CO)CC1,-1.3676117658615112
C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1,-1.3376810550689697
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)[C@H]1CC=CCC1,-1.3289881944656372
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cn1,-0.9327263832092285
O=C(c1ccc(Cl)cc1)N1CCC(Nc2ccccc2F)CC1,-0.9858366250991821
Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)cc1,-1.5104806423187256
CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1,-1.2834378480911255
Fc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Br,-1.1115361452102661
C[C@H]1COCCN(C(=O)c2ccccc2)C1,-1.7212471961975098
CC(C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C,-1.4713127613067627
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.023817539215088
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)s1,-0.8943080902099609
Fc1ccc(-c2ccnc(NCc3ccc(Cl)cc3)n2)cc1,-0.8932991027832031
O=CNCc1ccccc1,-2.0146639347076416
C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.3188380002975464
O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.899103045463562
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9842000007629395
Cc1ccc(C(=O)N2CCC(Oc3ccccc3C)CC2)cc1,-1.213135004043579
Cc1ccc(CNC(=O)N2CCC3(CCCC3)CC2)cc1,-1.5407744646072388
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3718069791793823
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0370986461639404
Clc1ccc(NC(c2ccccc2)c2ccc(Cl)cc2)cc1,-1.11797034740448
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5755884647369385
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123120069503784
O=C(NCC(O)=NCCC1CCCCC1)c1ccc(Cl)cc1,-1.2853807210922241
O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1c1ccccc1,-1.4957467317581177
O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.574715256690979
C[NH+]1CCC[C@H](CNC(=O)CCCc2cccc(Br)c2)C1,-1.3893554210662842
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1097962856292725
COc1ccc(C(=O)NC[C@H](C)N=C(O)C2CCCC2)cc1,-1.3937290906906128
Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.1989827156066895
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1460204124450684
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(N)c1,-1.0733506679534912
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.513818383216858
Cc1ccccc1C1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.1417605876922607
Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9364009499549866
Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2o1,-1.108468770980835
Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.188348650932312
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cn1,-1.041366457939148
Cc1cccnc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-0.8068531155586243
O=C(C[NH+]1CCC(C2CCSCC2)CC1)Nc1ccccc1F,-1.070569634437561
Cc1cc(F)ccc1NCc1nc(-c2cccc(Br)c2)no1,-0.7804034948348999
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1,-1.0015982389450073
COc1ccc(NC(=O)c2ccc3c(c2)CCNC3=O)cc1,-1.0616086721420288
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.164868950843811
O=C(COc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,-1.3717708587646484
CC1(C)CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1,-1.497664451599121
Cc1cc(O)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1,-1.1583715677261353
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.1117382049560547
CCCOc1ccc(N)cc1,-1.96607506275177
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2991430759429932
Cc1cc(NC(=O)c2cc(-c3cccc(Br)c3)on2)no1,-1.0760211944580078
CC(C)Oc1ccc(NCc2ccccc2F)cc1,-1.5770014524459839
CC[C@H](C(=O)NCc1sc(C)nc1C)c1ccc(Br)cc1,-0.7043718099594116
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6977227926254272
C[NH+]1CCCC[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1,-1.255010962486267
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Cl)c1,-1.2782479524612427
CN1CC[NH+](Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C1,-1.2182509899139404
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.0017842054367065
CC1CCC(N)(COc2ccc(C(C)(C)C)cc2)CC1,-1.517960548400879
CCCCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1,-1.3647834062576294
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9957242012023926
O=C(Nc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1555320024490356
O=C(Nc1ccc(I)cc1O)N1CCC(c2ccccc2)CC1,-1.0591988563537598
O=C(NCc1cccc(Cl)c1)c1cc2cc(F)ccc2o1,-1.0409988164901733
Cc1nc2cc(CNC(=O)C3CC[NH+](C)CC3)ccc2o1,-1.117922067642212
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.155643105506897
CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.3172118663787842
Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1,-1.0821571350097656
O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.7974465489387512
C[C@@H]1CN(c2ccc(NCc3ccc(Cl)cc3)cc2)CCO1,-1.3240382671356201
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1818063259124756
Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1356886625289917
COc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.6117172241210938
O=C(O)c1ccccc1,-2.0153613090515137
Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4238744974136353
CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1,-1.3733927011489868
Cc1cc(C)c(NCc2csc(-c3ccccc3)n2)cc1C,-0.8877539038658142
Cc1cccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)c1,-1.2697820663452148
O=C(Nc1ccc(F)cc1O)N1CCN(c2ccccc2)CC1,-1.2107616662979126
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1804487705230713
Cc1ncc(C(=O)NCCc2ccc3c(c2)CCCC3)[nH]1,-1.0902597904205322
CC(=O)NC1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1,-1.2592395544052124
O=C(Cc1ccccc1F)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.393686056137085
Cc1ccn2cc(C(=O)NCc3ccc(F)cc3)[nH+]c2c1,-1.169676661491394
Oc1ccc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1,-1.2541402578353882
Nc1ccc2sc(C(=O)NCc3ccc(Cl)cc3)cc2c1,-0.8845106363296509
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701846837997437
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3)c(O)c2)CC1,-1.2865601778030396
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)nc2)CC1,-0.928810179233551
Fc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.287646770477295
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0609006881713867
CC(=O)Nc1cc(Cl)ccc1N1CCN(CC(C)C)CC1,-1.0265991687774658
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2[nH]1,-0.9330682158470154
CC(C)(C)C(=O)NCc1cccc(N2CCC[NH2+]CC2)c1,-1.4604241847991943
COc1cccc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1,-1.3299779891967773
O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1cccc(Br)c1,-0.8887520432472229
CC(C)n1c(S)nnc1-c1ccc(Cc2ccccc2)cc1,-0.9350638389587402
Cc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.0598070621490479
O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0524344444274902
c1ccc(Cc2nc3ccccc3nc2NC2CCCCC2)cc1,-1.0056352615356445
Cc1cc(O)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.1819686889648438
O=C(C[NH+]1CCc2sccc2C1)NCc1cccc(F)c1,-1.3038060665130615
CCOc1ccc(NC(=O)N2CC[C@H](C)C2)cc1,-1.6303963661193848
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9709113240242004
Cc1cc(O)c(-c2ccccc2)c(OCc2ccccc2)c1,-1.372889518737793
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.319832682609558
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1466162204742432
Cc1ccccc1N1CCC[C@@H](NC(=O)c2ccc(Cl)nc2)C1,-0.8564476370811462
Cn1cc([C@H]2CCC[C@@H]2NC(=O)c2ccc(F)cc2)cn1,-1.1493202447891235
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0622552633285522
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1070116758346558
Cc1nc2cc(C(=O)Nc3nnc(C(C)C)s3)ccc2o1,-0.6491469740867615
NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.2045397758483887
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0865187644958496
Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.007265329360962
COc1ccc(NCc2ccc(OC)c(C)c2)cc1,-1.5809680223464966
CCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1,-1.4059518575668335
Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2437329292297363
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2O)CC[C@@H]1c1ccccc1,-1.0808360576629639
Cc1nc2ccc(NCc3ccc(C(N)=O)cc3)cc2[nH]1,-1.0021302700042725
CC[C@@H](N)C(=O)NCc1csc(-c2ccc(F)cc2F)n1,-0.7736101746559143
C[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1,-1.053924798965454
CC1(O)CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1,-1.5558761358261108
Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2036789655685425
Cc1cccc(C(=O)N2CCC(Oc3ccccc3)CC2)c1F,-1.112464189529419
Cn1cc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.1705234050750732
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1,-1.1924481391906738
Nc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.209240436553955
O=C(NCc1ccc(O)cc1)c1cc2ccc(Br)cc2[nH]1,-1.0587290525436401
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3361819982528687
Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1,-0.9335296154022217
C[C@@H]1CN(c2ccc(C(=O)Nc3ncccc3F)cc2)CCO1,-1.0383981466293335
O=C(c1ccc(Br)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8708490133285522
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1N,-1.3737998008728027
Cc1ncccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9230597019195557
c1ccc(CN2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5871872901916504
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.154911756515503
O=C(c1cccnc1)N1CCN(Cc2ccc(F)cc2F)CC1,-0.9419296383857727
c1ccc(C[NH+]2CC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1,-1.4287431240081787
Cc1ccc(C(=O)NC2CCN(c3ccccc3O)CC2)cc1,-1.1498359441757202
O=C(Nc1ccc([C@@H]2CCCCO2)cc1)c1ccc(F)cc1Cl,-0.9664016366004944
O=C(Cc1ccc(N2CCCCC2)cc1)Nc1cccc(F)c1,-1.3039507865905762
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502567768096924
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1034880876541138
C[NH+]1CCC[C@@H](C(=O)NC2(c3ccc(F)cc3)CCC2)C1,-1.2586935758590698
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1884734630584717
C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(O)cn1,-1.3206663131713867
CCOc1ccc(NC(=O)c2ccc(Br)[nH]2)cc1,-1.524876356124878
CC(O)CCc1ccccc1C(=O)Nc1ccc(Cl)cc1,-1.3320304155349731
O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520340204238892
Cc1ccc(CCC(=O)Nc2ccccc2S(C)(=O)=O)cc1,-1.5274338722229004
Fc1ccccc1C1CC(CNCC2CCCC2)C1,-1.4385427236557007
O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.3925535678863525
Cc1ccc(C[NH+]2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.381361961364746
O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-n2cccn2)cc1,-1.176125168800354
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Br)c1,-1.0090606212615967
CC1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1,-1.3597086668014526
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1F)c1ccccc1,-1.012843370437622
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1459784507751465
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.990341305732727
COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.5393503904342651
O=C([C@H]1CCCCO1)N1CCC[C@H](Oc2ccc(F)cc2F)C1,-1.0720362663269043
O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3617305755615234
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(N)c1,-1.3913065195083618
NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1,-1.42496919631958
Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC[C@@H](C)C2)cc1,-1.5680781602859497
Fc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.0975205898284912
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1,-1.1793146133422852
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.390687108039856
C[C@@H]1CN(C(=O)Nc2ccc(C3CC3)cc2)CCC1=O,-1.1597195863723755
CC(C)c1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1,-1.013458013534546
O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2s1,-0.7525607347488403
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617166519165039
C[NH+]1CCC[C@H]1c1ccc(N)cc1,-1.7425282001495361
O=C([C@H]1CCOC1)N1C[C@H](O)C[C@H]1Cc1ccc(F)cc1,-1.4947755336761475
Cc1noc(-c2ccc(C(=O)Nc3ncc(C)s3)cc2)n1,-0.9076937437057495
Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9362558126449585
O=C(CCc1ccc(F)cc1)N1CCC([NH+]2CCc3[nH]ccc3C2)CC1,-0.7770889401435852
CC1(C)CCC[C@@H](C(=O)N[C@H]2CCN(c3nncs3)C2)C1,-1.0365512371063232
COCc1cccc(CC(=O)N2CCS(=O)(=O)C2)c1,-1.608665108680725
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0857294797897339
CC1(C)CN(C(=O)NCc2ccc(F)cn2)C1(C)C,-1.0593961477279663
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1,-0.8423138856887817
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cn1,-1.0237929821014404
Cc1csc(N=C(O)CNC(=O)CNc2ccc(Cl)cc2)n1,-1.0686761140823364
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@@H](O)C1,-1.5120514631271362
Cc1ncc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9339702725410461
CN1CC[NH+](Cc2ccc(O)cc2)[C@@H](Cc2ccccc2)C1,-1.4891703128814697
C[C@@]1(Oc2ccccc2)CC[NH+](Cc2ccc(F)cc2Br)C1,-1.3044134378433228
C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9231554269790649
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2683228254318237
Cc1ccccc1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.1768001317977905
O=C(N[C@@H]1CC1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9076697826385498
O=C(NC(Cc1ccccc1)C(F)(F)F)c1ccccc1,-1.544215202331543
Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)[nH]1,-0.987544596195221
O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3469256162643433
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)s1,-0.997187614440918
CC(C)(C)CNC(=O)N1CCN(c2ccc(Br)cc2)CC1,-1.1859794855117798
Nc1c(Cl)cccc1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-0.9403876066207886
O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(F)cc1,-1.257088303565979
O=C(NC[C@H]1CC[C@H]2CCC[C@H]2O1)c1ccc(F)c(F)c1,-1.006578803062439
Cc1ncsc1C(=O)NCC[C@H]1CCC[NH+](C)C1,-1.301725149154663
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9903891682624817
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.130001425743103
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272262215614319
Nc1ccc(N2CCOCC2)c(NCc2ccc(F)cc2)c1,-1.1953097581863403
O=C(CN1CCc2ccccc21)NCc1ccc(F)cc1,-1.2950644493103027
Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9853724241256714
C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9605488777160645
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125256061553955
Cc1c(C(=O)N2CCC(C(C)C)CC2)nnn1-c1ccccc1,-0.6850224733352661
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.139344573020935
CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2176555395126343
CC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8952004909515381
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9438754916191101
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0811834335327148
C[NH+]1CCC[C@@H](CNC(=O)C[C@@H](O)c2ccc(Br)cc2)C1,-1.3303314447402954
NS(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1,-1.5857897996902466
Cc1ccc(-c2ccc(NC(=O)c3ccncc3Cl)cc2)cc1,-0.9719704985618591
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431933641433716
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.97483229637146
c1ccc(CN2CCC(n3nccc3-c3ccccc3)CC2)cc1,-1.2661465406417847
Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.153110384941101
O=C(Nc1n[nH]c(-c2ccccc2)n1)c1ccc2[nH]cnc2c1,-0.8554247617721558
C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccccc3F)CC2)CCO1,-1.1257761716842651
O=C(Cc1ccccc1)NCC(=O)c1ccc(F)cc1,-1.568197250366211
CCCCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1,-1.10142982006073
Cc1cnc(NC(=O)N(C)CC2CCOCC2)s1,-1.4864387512207031
Cc1cccnc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9434692859649658
Nc1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.0906660556793213
CCC[C@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2CC)CCO1,-1.5404497385025024
CC1(C)CN(C(=O)NCCc2ccc(F)cc2)CCCO1,-1.540982723236084
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9713875651359558
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9921472072601318
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2112644910812378
O=C(c1cn2ccccc2[nH+]1)N1CCC(Cc2ccccc2)C1,-1.2847988605499268
CC(C)(C)C1CCN(C(=O)Nc2ccc(S)cc2F)CC1,-0.8065605759620667
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3N)cc2)CC1,-1.0702922344207764
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960726261138916
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0690807104110718
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202185153961182
C[NH+]1CCN(Cc2ccc(O)cc2)[C@@H](Cc2ccccc2)C1,-1.4850319623947144
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0724369287490845
COc1cccc(CCC(=O)NCc2ccccc2)c1,-1.6430468559265137
CC1CCCC(CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5479555130004883
O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.9057756066322327
CN1CC[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.371249794960022
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Br)c3)C2)nn1,-0.8429074883460999
Cc1nccc(NC(=O)NCc2ccccc2)n1,-1.6549899578094482
[NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCCO2,-1.271290898323059
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2ccc(C)o2)cc1,-1.246355652809143
O=C(CCOCc1ccccc1)Nc1ccccc1Cl,-1.5792717933654785
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9550284743309021
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.1897733211517334
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1937092542648315
O=CN[C@H]1CCN(c2ccc(F)cc2)C1,-1.7465338706970215
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1411553621292114
Cc1ccc(CN2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.3938676118850708
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.369084119796753
O=C(c1cccc(-c2ccccc2)c1)N1CCc2ccc(F)cc2CC1,-0.7585927248001099
C[C@H]1C[C@@H](NC(=O)C2CC(c3ccc(Br)cc3)C2)CCO1,-1.1216585636138916
Nc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-0.9923341274261475
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0521883964538574
CC(CNCc1ccc(-c2cccc(Br)c2)cc1)C(=O)O,-1.2483235597610474
CCCCOc1cccc(NC(=O)C(C)(C)C(=O)O)c1,-1.6228493452072144
C[NH+]1CCC(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1,-1.0561294555664062
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.327610969543457
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0344830751419067
O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1,-1.0334193706512451
O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.1831154823303223
CCc1cccc(NC(=O)N[C@H]2CC[NH+](C)C2)c1,-1.6256247758865356
O=C(c1ccc(C(F)(F)C(F)F)cc1)N1CCC2(CCCC2)CC1,-0.8097031116485596
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741603374481201
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0378316640853882
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2N)CC1,-0.9935497045516968
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9955137372016907
C[NH+]1CCN(C(=O)NC[C@](C)(O)c2cccc(Br)c2)CC1,-1.298133134841919
c1ccc(CC2CC3(CCN(Cc4ccccc4)C3)C2)cc1,-1.575661063194275
CN1CCN(Cc2ccc(CN3CCN(C)CC3)cc2)CC1,-1.391375184059143
C[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1,-1.127720832824707
O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1,-1.1001604795455933
Cc1cc(Br)ccc1Nc1ccc(C(=O)N2CCOCC2)cc1,-1.0327390432357788
O=C(Nc1ccc(-c2ccccc2)nc1)c1ccc(Cl)cc1F,-0.9800909161567688
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119876146316528
Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.3956027030944824
CC(C)(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1,-1.4987872838974
Cc1noc([C@@H]2CCC[C@@H]2NC(=O)c2ccc(Cl)cc2)n1,-0.8769679069519043
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9568813443183899
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2Cl)CC1,-0.9538311958312988
O=C(c1ccccc1F)N1CCC(Oc2ccc(Br)cc2)CC1,-0.9887052774429321
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5083506107330322
C[C@@H]1[C@@H](C)[NH2+]CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1,-1.050582766532898
Fc1ccc(C[NH+]2CCC[C@@H](Cc3ccccc3)C2)cc1F,-1.3291254043579102
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0041913986206055
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(C)c1,-1.1771726608276367
Cc1ccc(CN=C(O)C2CCCN(C(=O)c3ccncc3)C2)cc1,-1.0784523487091064
Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)on1,-1.1423242092132568
CCCOc1ccc(OCCc2noc(C)n2)cc1,-1.6287858486175537
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.073826551437378
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1355032920837402
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1657919883728027
O=C1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.1609667539596558
O=C(Cc1ccc(Br)cc1)NC[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.162442684173584
C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)C[C@H]1Cc1ccccc1,-1.044860601425171
O=C(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCCCO3)CC1,-0.8304954767227173
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0290480852127075
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0762007236480713
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9501868486404419
O=C(O)c1cccc(COCc2ccccc2)c1,-1.689897060394287
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3006412982940674
Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9780250787734985
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.1186951398849487
CCOc1cccc(NC(=O)c2ccc(C)s2)c1,-1.583463430404663
Clc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1,-1.26982843875885
O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](F)C1,-1.6332000494003296
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1,-0.9291685223579407
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.116008996963501
CC(=O)c1ccc(CC(=O)Nc2ccc(C)cc2)cc1,-1.5458979606628418
O=C(NC1CC(F)(F)C1)[C@@H]1CCC[NH+](C2CCCCC2)C1,-1.093796968460083
CC(C)NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C,-1.0522000789642334
C[C@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)S(=O)(=O)[O-],-1.1218630075454712
O=C(COc1ccccc1)Nc1ccc2c(c1)CCCN2,-1.5232418775558472
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2,-0.9009467959403992
Fc1ccccc1Cn1cc2c(n1)CN(Cc1ccccc1)CC2,-0.9462522268295288
Cn1ccc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)n1,-1.0208700895309448
O=C(NC[C@@H]1CCCCO1)Nc1ccc(O)nc1,-1.6648244857788086
Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)no1,-1.2943828105926514
O=C(c1ccn(Cc2ccccc2)n1)N1CC[NH+]2CCC[C@@H]2C1,-1.1033889055252075
O=C(COc1cccc(Br)c1)Nc1ccc2c(c1)CCC2,-1.2474498748779297
O=C(C[NH+]1CCOC2(CCCC2)C1)NCc1ccccc1,-1.643132209777832
Cc1ccc(C(C)(O)CCNC(=O)C2CCOCC2)cc1,-1.5728754997253418
CC1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.3500276803970337
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.212064504623413
C[C@@H](CNC(=O)c1cccc(Br)c1)C[NH+]1CCN(C)CC1,-1.206794261932373
Cc1cncc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1,-1.5075609683990479
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1,-0.7284891605377197
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.061850666999817
C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2F)C1,-1.0101019144058228
C[C@@H]1CN(C(=O)c2ccccc2N)CC[NH+]1Cc1ccccc1,-1.2136132717132568
O=C(CCOc1ccc(Br)cc1)Nc1ccc(F)cc1F,-1.1463730335235596
CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1=O,-1.1841020584106445
CC(C)c1ccc(NC(=O)NCC(N)=O)cc1,-1.6236159801483154
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9716637134552002
Cn1c(COc2ccc(N)cc2)nnc1-c1ccc(Cl)cc1,-0.8262887597084045
C[C@@H]1COCC[NH+](CC(=O)NCCc2ccc(Br)cc2)C1,-1.469347357749939
Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.135413646697998
Cc1ccc(C(=O)N2CC[NH+](CC3CCC3)CC2)cc1Cl,-0.9578473567962646
C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2c2cccc(Br)c2)C1,-1.1311206817626953
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.048826813697815
O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1,-1.3432673215866089
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9778386354446411
CC(=O)Nc1ccc(C(=O)N2CCC3(CCC3)C2)cc1,-1.5372188091278076
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.2647826671600342
O=C(c1ccccc1Cl)N1CCC(Oc2ccc(F)cc2)CC1,-1.0078140497207642
Cc1ccccc1C(=O)NC1CCC(c2ccc(F)cc2)CC1,-1.0068798065185547
C#CCNC(=O)c1ccc(Oc2ccccc2)cc1,-1.6439419984817505
O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2[nH]1,-1.2802166938781738
O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1765037775039673
CCc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6071691513061523
O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccccc2)CC1,-1.2754402160644531
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172375798225403
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.9146637320518494
O=C(NC1CCCCC1)C(=O)N1CCC([NH+]2CCCC2)CC1,-1.2988544702529907
Cc1ccc(C(=O)N[C@@H]2CCCN(c3nnc(C)s3)C2)o1,-0.8989449143409729
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2037473917007446
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305198669433594
O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1ccc(F)cc1,-0.8464703559875488
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1606059074401855
CC(C)(C)[NH+]1CCC(C(=O)N2CC[NH+](CCCCO)CC2)CC1,-1.2253624200820923
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.078170657157898
COCc1ccc(C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1,-1.5117011070251465
c1ccc(-c2noc(CSCC3CCCC3)n2)cc1,-1.5604392290115356
C[NH+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1,-1.2918871641159058
C[C@H]1CN(C(=O)Nc2ccccc2F)CC[NH+]1C1CCCCC1,-0.9366230368614197
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3700536489486694
COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0599875450134277
C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0743584632873535
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8717060685157776
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1292099952697754
CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)[C@H](C)C2)cc1,-1.1957060098648071
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1505951881408691
O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.9479125142097473
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-1.0313899517059326
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9810677766799927
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2387268543243408
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1313039064407349
Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.5388656854629517
CC(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1,-1.2365376949310303
O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCc2ccccc2C1,-1.1173850297927856
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874304533004761
Cc1nc(C)nc(NCc2ccc(-c3ccccc3)cc2)n1,-0.9331405162811279
COc1ccccc1NC(=O)N1CCC(CCO)CC1,-1.544670581817627
O=C1CCC[C@H](NC(=O)N2CCC(c3ccccc3)CC2)N1,-1.4454866647720337
Cc1ccc(C)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.1330801248550415
O=C(CC[NH+]1CCc2ccccc2C1)NCc1ccccc1Cl,-1.1184749603271484
C[C@@H]1CN(C(=O)NC[C@H](O)c2ccc(Br)cc2)C[C@H](C)O1,-1.2447487115859985
COc1ccc(C(=O)NCC(O)=Nc2ccc(C)cc2)cc1,-1.4497655630111694
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2985615730285645
Cc1cc(C(=O)NCCCc2ccccc2Br)cc(C)n1,-0.9932188987731934
Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.4559298753738403
O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.39825698733329773
CCOc1ccc(NCc2ccc(Br)cc2I)cc1,-1.2942097187042236
C[C@H]1CCCCN1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.8899766802787781
CC(C)CN1CC(C)OC(C)C1,-1.8282827138900757
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.440346598625183
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3387155532836914
O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5078717470169067
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0515416860580444
[NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0376734733581543
CCc1ccc(C(=O)NCc2cnn(C)n2)cc1,-1.4132044315338135
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2F)CC1,-1.0701923370361328
Cc1ccc(CC(=O)NCc2ccc(N)c(F)c2)s1,-1.174705147743225
CC1(C)CC(C(=O)N[C@H]2CCCC(c3ccccc3)C2)C1,-1.3778623342514038
Nc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1,-0.9599297046661377
Cc1ccc(CC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cc1,-1.3934530019760132
O=C(NCc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-],-1.5696464776992798
Nc1ccc(CONCC(=O)Nc2ccc(F)cc2)cc1,-1.5847804546356201
C[NH+]1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1,-1.415176272392273
Cc1ccc(C(=O)Nc2ccc(N3CC[NH2+]C[C@@H]3C)cc2)cc1,-1.0963443517684937
O=C(NCC(O)=NCCC1CCCCC1)c1ccc(Cl)cc1,-1.2771556377410889
O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCO2)CC1,-1.5328128337860107
Nc1ccc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1,-1.1257511377334595
O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.2841639518737793
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0470715761184692
Cc1ccccc1C(=O)N1CCC[C@H](Oc2ccc(F)cc2)C1,-1.107076644897461
O=C(Nc1ccc(Br)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.8855360746383667
O=C(Cc1ccc([O-])cc1)NCc1cc2ccccc2s1,-1.300177812576294
CCN1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2)CC1,-1.1241049766540527
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.203296184539795
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.566137671470642
CC(C)C(C)(C)NC(=O)[C@@H]1CCCCN1c1ccccc1,-1.2219629287719727
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.8920204639434814
CCOc1ccc(OCCN2CCC(N)CC2)cc1,-1.6305921077728271
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3760076761245728
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0438090562820435
CN(Cc1ccccc1)C(=O)CN=C(O)Cc1ccccc1,-1.562828540802002
O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Br)cc1,-1.1276915073394775
O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9199621081352234
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.943543016910553
CN1CCN(CC(O)CNC(=O)c2ccc([O-])cc2)CC1,-1.5272103548049927
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.17389714717865
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9886260628700256
CC(=O)N1CCC(NC(=O)Cc2ccc(O)cc2)CC1,-1.584579586982727
COc1ccccc1CNC(=O)c1ccc(Br)s1,-1.3557549715042114
O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.625354290008545
C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9497997760772705
O=C(Cc1ccc(N2CCCCC2)cc1)N[C@H]1CCC[C@@H](O)C1,-1.3906627893447876
C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.2247133255004883
Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccccc2)CCC[NH+]1C,-1.05490243434906
Cc1ccc(CCC(=O)NCc2ccccc2)c2ccccc12,-1.238222599029541
Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5049649477005005
Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0680731534957886
C[NH+]1CCC[C@H](CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1,-1.2520629167556763
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1754934787750244
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0255649089813232
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198270082473755
Fc1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1,-1.2918771505355835
O=C(NCCc1cccc(F)c1)c1ccc2c(c1)CCN2,-1.1706490516662598
CC[C@@H](NC(=O)Cc1ccc(Br)cc1)[C@@H]1CCC[NH+](C)C1,-1.1780928373336792
Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4616892337799072
CC(C)(C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.3216590881347656
Nc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9214185476303101
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0435889959335327
Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9709389805793762
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.4667896032333374
O=C(c1ccncc1)N1CCNCC1,-1.7616406679153442
COc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)cc1,-1.4617011547088623
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.1230615377426147
Cc1cc(NCc2ccc(N)cc2)ccc1-c1ccccc1,-1.2756307125091553
CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.441969394683838
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.140249252319336
CC(C)[C@H](C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.0515198707580566
O=C(Cc1ccc(O)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.8506518602371216
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210078716278076
Cc1ccc2cc(C(=O)NCc3ccc(N)cc3)[nH]c2c1,-1.1326406002044678
CC(C)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.121376633644104
O=C(Nc1ccc(F)cc1)N1CCC[C@@H](CC(F)(F)F)C1,-1.0477373600006104
Cc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1,-1.2462836503982544
Cc1cccc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)c1,-0.44162309169769287
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0808333158493042
O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464816093444824
O=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.45500910282135
O=C(N[C@@H]1CCCC[NH+](C2CCCCC2)C1)c1ccc(Cl)cc1,-1.065390944480896
O=C(NCc1ccc(Br)cc1)N1CCCC2(CCCC2)C1,-1.4094483852386475
Cn1ncc(C(=O)NC2CCCC2)c1-c1ccc(Br)cc1,-0.9304214715957642
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9553842544555664
N#Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,-1.1587538719177246
Cc1ccc(CNc2cc(-c3ccc(O)cc3)ncn2)cc1,-1.180816650390625
c1ccc(C2CCCN2c2ccc(CN3CCCCC3)cc2)cc1,-1.4445151090621948
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5137341022491455
CC(C)C(=O)N1CCC(NC(=O)C2CCC(N)C2)CC1,-1.1583997011184692
CCc1ccc2c(c1)C(=O)N2,-1.8577051162719727
O=C(Nc1cc(F)ccc1Cl)N1CCN(c2ccccc2)CC1,-0.9120268821716309
Nc1ccc(OCC(=O)Nc2ccc(F)cc2F)c(F)c1,-1.0411927700042725
C[NH+]1CCC(NC(=O)NCC2CCCCC2)CC1,-1.6411540508270264
COc1ccc(CNC(=O)N2CC[C@H](O)C2)cc1,-1.6419620513916016
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0944952964782715
O=C(c1ccc(Cl)s1)N1CCC[C@H]1Cc1ccc(O)cc1,-1.0026235580444336
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4650893211364746
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1370420455932617
Cc1ccc(C2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)cc1,-1.1110037565231323
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0736910104751587
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1545701026916504
Cc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0227344036102295
CCc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.0360643863677979
O=C(c1ccc(Cl)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.43147388100624084
O=C(NCc1cc2ccccc2[nH]1)c1ccc(F)c(F)c1,-1.0910884141921997
COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1,-1.1032577753067017
Cc1ccc2ncn(CC(=O)OCC3CCCCC3)c2c1,-1.3476442098617554
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.880165159702301
OC1(Cc2nccs2)CC[NH+](Cc2ccc(F)cc2Cl)CC1,-1.0292141437530518
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.236020803451538
CC(C)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)nn1,-0.8682085871696472
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.2028663158416748
Nc1nc(-c2ccccc2)nc(O)c1OCc1ccccc1,-1.1084522008895874
C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3F)CC2)CC1,-1.017863392829895
Cc1cc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1O,-1.1372569799423218
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1465632915496826
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.690765380859375
Cc1cc(C2CCN(C(=O)N[C@@H]3CC[C@H](C)C3)CC2)no1,-1.2330793142318726
CC(C)(C)[C@H]1CCCN(C(=O)NC2CC(F)(F)C2)C1,-1.0491936206817627
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2193938493728638
CCNC(c1ccccc1)C(C)C,-1.7967075109481812
Cc1ccc(C2CCN(C(=O)N[C@@H]3CCCC[C@@H]3O)CC2)cc1,-1.105635643005371
O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5195478200912476
Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1,-1.107801914215088
Nc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1,-1.4484703540802002
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689149856567383
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2F)CC1,-1.192724347114563
CC1CN(C(=O)CN2CCCC[C@H]2c2ccc(F)cc2)CC(C)O1,-0.9468428492546082
O=C(Nc1ccc(F)nc1)c1ccc(N2CCCC2=O)cc1,-1.0522226095199585
CCOc1ccc(CNc2ccc(Cl)cc2C)cc1,-1.536318063735962
Cc1cc(C(=O)Nc2cc(-c3ccc(O)cc3)on2)no1,-1.2939958572387695
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9936069250106812
O=C(c1ccc(Br)cc1)N1CC[NH+](CCC2CCOCC2)CC1,-1.2339327335357666
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.9987006187438965
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1935176849365234
O=C(NC1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl,-0.8214542269706726
CC1CCN(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1,-1.1834994554519653
COc1cccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c1,-1.1924234628677368
O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-0.9790711998939514
Cc1ccc(NC(=O)C[NH+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1,-1.2819327116012573
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9544947743415833
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(C)c1,-1.1504241228103638
Cc1cccc(NC(=O)C(=O)Nc2cccc(I)c2)c1,-1.3676185607910156
O=C(Nc1ccc(O)cc1O)N1CCN(C2CCCCC2)CC1,-1.1253635883331299
CC(C)[C@@H](C(=O)NCc1ccc(O)cc1)c1ccccc1,-1.4278666973114014
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0554723739624023
O=C(c1cccc(O)c1)N1CCN(Cc2cccc(F)c2)CC1,-1.1785763502120972
Cc1ccc(NC(=O)NCC(C(=O)O)C(C)C)c(Cl)c1,-1.0508911609649658
O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCC2(CCCCC2)C1,-1.2186239957809448
Cc1ccccc1C(=O)NCc1ccc2c(c1)OCCO2,-1.3315255641937256
C[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccc(F)cc3)CC2)C1,-1.0763018131256104
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2187024354934692
O=C(Nc1ccc(Br)cc1F)N1CCC(c2ccccc2)CC1,-0.9583650827407837
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0614699125289917
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8641359210014343
CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21,-0.6701417565345764
COc1ccc(C(=O)N2CCN(c3ccc(I)cn3)CC2)cc1,-0.8682683706283569
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.835387110710144
[O-]c1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5113669633865356
O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8950303196907043
Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1,-1.1541134119033813
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8869057297706604
Fc1ccc(-c2ccc(COc3ccc(Cl)cc3)cc2)cc1,-1.2137356996536255
CCCCC(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.2685775756835938
Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2051922082901
Cc1ccc(CN2C(=O)N(C)C(=O)C[C@@H]2c2ccccc2)cc1,-1.0168797969818115
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)no1,-1.0550373792648315
C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2c2cccc(Br)c2)C1,-1.2423954010009766
FC1(F)CC[NH+](Cc2ccccc2)CC1,-1.7220611572265625
Cc1ccc(-c2nc(NC(=O)c3ccc(C)s3)n[nH]2)cc1,-0.8826231956481934
C[C@@H]1CN(C(=O)c2cc(F)ccc2-c2ccc(Br)cc2)C[C@@H](C)O1,-0.6544146537780762
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3012423515319824
O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1,-1.028850793838501
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1O,-0.9744196534156799
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.331451177597046
O=C(NCCc1ccc(Br)cc1)c1cc(F)c(F)cc1F,-0.6529022455215454
O=C(N[C@@H]1CC[C@@H](F)C1)N1CCC[C@@H]1c1ccc(F)cc1,-1.098664402961731
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9933110475540161
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1,-0.9185707569122314
O=C(NCCCO)Nc1ccc(C2CCCCC2)cc1,-1.6028746366500854
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1896576881408691
O=C(N[C@@H]1CC[C@H](F)C1)N1CCC[C@@H]1c1ccc(F)cc1,-1.1053333282470703
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2469528913497925
O=C(N1CCOCC1)N1CCC[NH+](Cc2cccc(F)c2)CC1,-1.3431261777877808
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2occc2c1,-1.2027760744094849
C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.15492844581604
Clc1cccc(NCC2CCN(c3ccc(Br)cc3)CC2)c1,-0.9933747053146362
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517785668373108
CC[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@@H](F)C1,-1.2623218297958374
O=C(Cc1cccs1)N[C@H]1CCC[C@H]1c1ccc(O)cc1,-1.3845635652542114
Oc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1Cl,-1.260008454322815
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1515436172485352
c1ccccc1,-2.216958999633789
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.32529616355896
CCOc1ccc(NC(=O)c2n[nH]c(C)n2)cc1,-1.4400458335876465
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9169881939888
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437028765678406
CN(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.2159631252288818
Cc1ccc(CN=C(O)CNS(=O)(=O)c2ccc(Cl)cc2)o1,-1.4243485927581787
CC(C)Cc1ccc(C(=O)NC[C@H](O)CC(C)(C)C)cc1,-1.56895112991333
O=C(Nc1ccc(F)cc1)N[C@@H]1CCOC2(CCCC2)C1,-1.5553433895111084
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0580726861953735
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3793038129806519
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cn1,-1.072024941444397
CC(C)[NH+]1CCC(NC(=O)CCc2ccc(O)cc2)CC1,-1.4525210857391357
O=C1CN(c2ccc(C(=O)NC3CCOCC3)cc2)CCN1,-1.36256742477417
O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.5009844303131104
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Cl)c1,-1.2507988214492798
O=C(c1ccc(O)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.196890115737915
Cc1ccc(NC(=O)N2CC(c3cccc(C)c3)C2)cc1,-1.2960854768753052
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138298749923706
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.527156949043274
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4338163137435913
CC(C)CCOc1ccc(OCC(O)=NC(C)(C)C)cc1,-1.5604318380355835
Cc1nc2ccc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)cc2[nH]1,-0.30277225375175476
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2957372665405273
Cc1noc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n1,-1.0380609035491943
O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8659787178039551
O=C(N[C@@H]1CCOC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-1.0328630208969116
Nc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(Cl)c1,-0.9916989803314209
O=C(NCCC[NH+]1CCCCC1)N1CCOC2(CCCCC2)C1,-1.5686086416244507
O=C(NC1CCC[NH2+]CC1)N1CCC(c2ccc(O)cc2)CC1,-1.2770217657089233
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1C,-1.1946648359298706
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241712093353271
Cc1cc(NC(=O)c2ccn(C)n2)n(-c2ccccc2)n1,-1.107666015625
Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccccc3)C2)nn1C,-1.081615924835205
Fc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4307200908660889
Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.285806655883789
Cc1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)n[nH]1,-1.3315153121948242
c1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1,-1.2506903409957886
COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1,-1.4806724786758423
Cc1ccc(NC(=O)C(=O)N2CCC3(CCOCC3)C2)cc1C,-1.2548924684524536
CC(C)(C)NC(=O)CN=C(O)NCc1ccc(Br)cc1,-1.4574998617172241
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0168572664260864
CCc1nn(C)cc1NC(=O)N1CCC2(CCCC2)CC1,-1.133559226989746
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0849330425262451
COc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1,-1.4707812070846558
O=C(COc1cccc2c1CCN2)Nc1ccc(F)cc1,-1.2396143674850464
CC[NH+]1CCN(C(=O)NCc2ccc(Br)s2)CC1,-1.2860594987869263
O=C(Nc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1,-0.7835354804992676
O=C(NC[C@@H](O)Cc1ccc(F)c(Cl)c1)c1ccccc1,-1.2515172958374023
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2I)CC1,-0.8803961277008057
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.219231128692627
C[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)CCO1,-1.2404117584228516
Clc1ccc(OCc2ccccc2)cc1Cl,-1.5843138694763184
Cn1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n1,-0.958183765411377
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625440001487732
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1429208517074585
Cc1cccc(O)c1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-1.0715758800506592
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.3947503566741943
Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.138619303703308
Cc1ccc(CCC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1,-1.5797317028045654
Oc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.1981004476547241
O=C(c1ccccc1O)N1CCN(Cc2cccc(Cl)c2)CC1,-1.1857631206512451
O=C(Nc1nc2ccccc2o1)[C@H]1CC[C@@H](c2ccccc2)C1,-1.1281144618988037
Cc1cccc(CN2CCN(Cc3ccc(O)cc3)CC2)c1,-1.4987150430679321
O=C(N[C@@H]1CC12CCC2)[C@H]1CCN(c2ccc(Br)cc2)C1,-1.0317410230636597
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1,-0.9566216468811035
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1353205442428589
Cc1ccc(CN2C[C@@H](Cc3ccccc3)CC2=O)cc1,-1.534891963005066
COc1ccc(NC(=O)c2ccc3nc(O)ccc3c2)cc1F,-0.8361855745315552
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1O,-1.0719892978668213
CC(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cn1,-1.5296252965927124
O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8690295219421387
Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Cl)cc3)C2)o1,-1.198076605796814
O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,-1.4015870094299316
Cc1cc(F)ccc1OCc1nnc(C)n1-c1ccccc1,-0.9078896045684814
O=C(NCC1(O)CCCCC1)Nc1ccccc1,-1.7403165102005005
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1,-1.0121372938156128
O=C(Nc1ccc(Cl)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8309812545776367
CC(C)(C)c1cccc(N2CC[NH+](Cc3nn[n-]n3)CC2)c1,-0.9851311445236206
O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9645235538482666
Cc1ccccc1CNCc1ccc(C2CC2)cc1,-1.5364837646484375
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1851392984390259
CS(=O)(=O)C1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.2478435039520264
C[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0320346355438232
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3F)C2)cc1,-1.140565276145935
Cc1ccccc1N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C,-1.119940996170044
Cc1ccc2cc(C(=O)NCc3ccc(O)cc3)oc2c1,-1.2894433736801147
C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.223180890083313
Cc1ccc(O)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1850687265396118
CN1CCN(c2cccnc2NCc2ccc(F)cc2)CC1,-1.049881935119629
O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCCCC1,-1.42412269115448
Nc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3012607097625732
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0693542957305908
O=C(Cc1ccc(Br)cc1)NCc1ccccc1,-1.5736689567565918
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2349390983581543
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.032702922821045
Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.479146957397461
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1O,-1.0710901021957397
O=C(Nc1ccc(-c2ccccc2)c(F)c1)c1ccc(F)cc1,-1.042048692703247
Cc1ccc(N2CCC(COc3ccc(N)cc3)CC2)cc1,-1.3567416667938232
O=C(Nc1ccc(F)cc1Cl)c1ccc(C(F)(F)F)cc1,-0.8699719905853271
COc1ccc(C(=O)Nc2ccc3c(c2)CC(C)C3)cc1,-1.2115377187728882
C[C@@H]1C[NH+](Cc2cccc(Oc3ccccc3)c2)C[C@H](C)O1,-1.5168993473052979
CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[NH+](C)C[C@@H]3C2)cc1,-1.266231894493103
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1F,-1.004918098449707
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.0618162155151367
CCOc1ccc(N)cc1OCC,-1.8527748584747314
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0314362049102783
C[C@H]1C[NH+](Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)CO1,-1.4169554710388184
O=C(NCC(O)c1ccc(Br)cc1)c1cc(F)ccc1O,-1.0323362350463867
O=C(c1ccc(Cl)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.42803138494491577
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-1.1037265062332153
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2252269983291626
Cc1cccnc1NC1CCN(C(=O)c2cccc(F)c2)CC1,-0.9060207009315491
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0124050378799438
Cc1ccc(O)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.139744758605957
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1,-1.4240628480911255
O=C([C@H](Cl)c1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.3085370063781738
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.073693871498108
O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCOCC2)CC1,-0.9752641916275024
Cc1cc(C(=O)NCc2nnc3ccccn23)ccc1Cl,-0.8618661761283875
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1385966539382935
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.08303964138031
Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)n[nH]1,-0.9233623147010803
Clc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)nc1,-0.9802603721618652
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6720726490020752
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.1247138977050781
N#Cc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1,-1.226272702217102
C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0825648307800293
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1398345232009888
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ccc(F)cc2)CC1,-0.7695083618164062
Cc1cc(F)ccc1C(=O)N1CCC(OC2CCOCC2)CC1,-1.2666220664978027
O=C(Nc1ccc(F)cc1)N1CCC[NH+](C2CCOCC2)CC1,-1.2779638767242432
Cc1coc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)c1,-1.1304799318313599
Cc1nc2cc(CNC(=O)N3CC[NH+](C)CC3)ccc2o1,-1.2178819179534912
O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.5426225662231445
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0918864011764526
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0656551122665405
CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6119215488433838
Oc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1Br,-1.2659584283828735
O=C(NCc1ccc(Cl)c(Br)c1)c1cccc2c1OCC2,-0.7910118699073792
O=C(Nc1ccc2[nH]ncc2c1)N1CCC([NH+]2CCCC2)CC1,-1.0301599502563477
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ncccc1O,-1.0126007795333862
O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.7085341215133667
CC(C)(O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1,-1.3070979118347168
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.148815393447876
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2O)CC1,-1.1822595596313477
C[C@H]1CCN(C(=O)NC[C@H]2CCCO2)CC12CCOCC2,-1.536874771118164
CCOc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.4872238636016846
CC(O)=Nc1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1,-0.9524542093276978
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.8669962286949158
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9540833234786987
CCCOc1ccc(NC(=O)c2ccccc2N)cc1,-1.6019775867462158
Nc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.1199274063110352
Cc1cc(C)nc(C2CCN(C(=O)c3ccc(F)c(I)c3)CC2)n1,-0.1760367602109909
C=C(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,-1.4201422929763794
COc1ccc(CNCCc2ccc(Br)cc2)cc1,-1.5269962549209595
CC(C)CC(=O)NC[C@H]1CCCN(c2ccc(F)cc2)C1,-1.379865050315857
C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)CCO1,-1.5107958316802979
C[C@@H]1CCCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4350523948669434
O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(O)c1,-1.008910059928894
CCCCCCCCCCCCCCCCNCc1ccc(CC(C)C)cc1,-1.504116177558899
O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F,-0.7710139155387878
C[NH+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc(Br)cc2)C1,-1.1228259801864624
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(Cl)c1,-0.6247418522834778
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(F)c1,-1.1043922901153564
N#CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1,-0.6443310976028442
O=C(Nc1ccc2c(c1)C1(CCOCC1)CO2)c1ccc(F)cc1,-1.1483126878738403
Cc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.2723803520202637
O=C(NCc1ccc(F)cc1)N1CCC2(CCCCC2)C1,-1.5165846347808838
O=C(CNC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1,-1.25568687915802
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-1.0597482919692993
CN1CCCC(CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3325797319412231
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-0.906525731086731
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1130183935165405
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.9698417782783508
Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9556874632835388
Clc1ccc(OCCCNCC2CCCCC2)cc1,-1.6184426546096802
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0930997133255005
CC(C)(O)CNC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1,-1.3436155319213867
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1308174133300781
CC(=O)NC1CCN(C(=O)Cc2cccc(Br)c2)CC1,-1.270760416984558
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2442281246185303
FC(F)Oc1ccc(CN2CC[NH+](CC(F)(F)F)CC2)cc1,-1.110572099685669
C[C@@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.4631540775299072
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.195493459701538
NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.0980148315429688
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0419667959213257
C[SH](C)(=O)c1ccc(C(=O)NC[C@@H]2CCCCO2)cc1,-1.5683761835098267
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1660399436950684
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.735227644443512
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9788969159126282
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.023061752319336
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br,-0.8400656580924988
Clc1ccc2c(c1)OC[C@@H](C[NH2+]CCc1ccc(Br)cc1)C2,-1.019848346710205
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0157818794250488
Cc1cc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)on1,-1.1356964111328125
O=C(N[C@@H]1CC12CC(c1ccccc1)C2)c1ccccc1,-1.5627297163009644
Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c(F)c1,-0.9290943741798401
O=C(NCC1CCCC1)N[C@@H]1CC12CCCCC2,-1.6991949081420898
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Br)nc1,-1.3155231475830078
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.388275146484375
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080665826797485
Cc1ccccc1C(=O)NC1CCN(c2ccc(I)cc2)CC1,-0.9006553292274475
CC(CN=C(O)C1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1,-1.035220742225647
Cc1nc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)cs1,-0.9630693793296814
O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2873269319534302
O=C(NCc1nc2ccc(F)cc2o1)c1ccc(O)cc1,-1.1226202249526978
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.125806212425232
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9550835490226746
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9382851123809814
Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1C,-1.4289474487304688
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.135459303855896
Cc1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1,-1.4847514629364014
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9260568618774414
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872084379196167
CN(C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,-1.1260476112365723
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1,-1.0838334560394287
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5277982950210571
O=C(Nc1cc(O)ccc1F)N1CCN(c2ccccc2)CC1,-1.2097046375274658
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.059626817703247
C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.143615484237671
C[NH+]1CCCC[C@@H](C(=O)NCCc2ccc(Cl)c(Br)c2)C1,-0.8454331755638123
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-0.996700644493103
C[C@H]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1,-1.079547643661499
c1ccc(CN2CCN(c3nncn3-c3ccccc3)CC2)cc1,-1.3441874980926514
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9687021970748901
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2057251930236816
Cc1cc(-c2ccc(CN)cc2)ccc1Br,-1.3200677633285522
CC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1,-1.0856502056121826
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3225553035736084
CCCCC(=O)N1CCN(Cc2ccc(C(=O)O)cc2)CC1,-1.5260788202285767
CCCC(=O)N1CCC(C[NH+]2CCCC2)(c2ccccc2)CC1,-1.499361515045166
CSC(=O)Cc1ccc(C(=O)N2CCC3(CCCC3)C2)cc1,-1.3405687808990479
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.9907083511352539
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1856434345245361
CC1(C)C[C@@H](CNC(=O)N2CCC[C@@H](F)C2)C1(C)C,-1.0558679103851318
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.2935811281204224
CC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1,-1.409796953201294
Cc1[nH+]cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0585403442382812
CC[C@H]1CCCN(C(=O)N[C@@H]2CCC3(CCC(C)C3)C2)C1,-1.3339591026306152
O=C(NCc1ccc(Cl)nc1)N1CCC2(CCCO2)CC1,-1.4058284759521484
C[NH+]1CCC(CNC(=O)N2CCC3(CCOCC3)C2)CC1,-1.5983197689056396
Oc1c(Br)cc(OCc2ccccc2)cc1-c1ccccc1,-1.2018764019012451
O=C(c1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1,-1.1416902542114258
Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3210145235061646
CCc1ccc(C(=O)NCC(O)=Nc2ccc(Br)cc2)cc1,-1.2071820497512817
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1[O-],-0.984102189540863
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3533289432525635
Cc1cccc(-c2noc(CCOc3ccc(I)cc3)n2)c1,-1.134458065032959
O=C(NCc1ccc(Cl)c(Cl)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.7682479023933411
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2531806230545044
Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.97812420129776
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.9791496992111206
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.062492847442627
Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)CC2)c1,-0.9891278743743896
Cc1cccnc1CNC(=O)CCOc1ccccc1,-1.5876028537750244
Oc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.2208627462387085
O=C(NCc1ccccc1)N1CCC[C@H]1C1CC1,-1.6085050106048584
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(C)c1,-1.1686558723449707
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.198656439781189
Cc1cccc(CNC(=O)c2ccc3oc(C)nc3c2)c1,-1.1615262031555176
C[C@](O)(CNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1,-1.3994122743606567
CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(F)s2)C1,-1.3977314233779907
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8972238302230835
COc1ccc(CNC(=O)c2ccc(I)s2)cc1,-1.470670223236084
O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)nc1,-1.013859748840332
CN(C)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1,-1.1061420440673828
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)C1CCCCCC1,-1.105474591255188
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1481389999389648
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238690614700317
C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.512993574142456
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccn(C2CCCCC2)n1,-0.9793000817298889
C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1066172122955322
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCC,-1.3825997114181519
[NH3+]c1cc(F)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1,-1.1548446416854858
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-1.0657936334609985
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5058839321136475
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.140620231628418
O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc2ccccc2s1,-0.9160959720611572
Fc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1Br,-1.2287511825561523
CCc1cccc(C(=O)NCc2cnn(C)c2)c1,-1.5964828729629517
CCCOc1ccccc1NC(=O)c1ccccc1C,-1.5565334558486938
CC(C)CC(=O)NC[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.5166207551956177
C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1,-1.6524486541748047
Cc1ccc(N2CCOCC2)c(NC(=O)c2ncccc2Br)c1,-0.8745921850204468
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8480342626571655
CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-0.8927733302116394
CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)C1,-1.2818491458892822
C[C@H]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1,-0.8344035744667053
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080647945404053
Cn1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n1,-0.9452793598175049
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.9160327315330505
C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.6649664640426636
Cc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)no1,-0.7893036603927612
Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1739404201507568
CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1,-0.9448911547660828
O=C(Nc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1,-0.7490264177322388
Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.2424447536468506
Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)s1,-1.1125240325927734
O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1,-1.3093794584274292
C[NH+]1CCC[C@@H](C(=O)NC(=O)c2ccc(F)c(Cl)c2)C1,-0.8593683838844299
COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1,-1.6018317937850952
CC1(C)C[NH+](Cc2ccc(Cc3ccccc3)cc2)CCO1,-1.5686687231063843
O=C(Nc1ncccc1Br)N1CCN(c2cccc(F)c2)CC1,-0.8676137924194336
CC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+](C)C2)CC1,-1.361943244934082
COc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1,-1.415420413017273
Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,-1.5910218954086304
Clc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-0.9544243216514587
Fc1ccccc1C[NH+]1CCN(Cc2ccccc2)C[C@@H]1C1CC1,-1.0688029527664185
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1557447910308838
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198233127593994
c1ccc(C[NH+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1,-1.1969858407974243
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5049525499343872
CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H]([NH3+])C1,-1.1028348207473755
Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.014140248298645
O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(O)cc1,-1.4146969318389893
Cc1ccc(-c2ccc(C(=O)CNc3ccccc3)cc2)cc1,-1.3888026475906372
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.7173078656196594
CC(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cn1,-0.960491955280304
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2968595027923584
CC1(C)COCCN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.4793120622634888
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)no1,-1.1486644744873047
CC(C)(C)C(=O)NCc1cccc(N2CCOC2=O)c1,-1.45177161693573
COc1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.060927391052246
O=C(NCC1CCCCC1)Nc1ccccc1Br,-1.5315227508544922
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1cccc(F)c1,-1.0748041868209839
Clc1ccc(COc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.0954035520553589
Cc1cc(I)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.8922020792961121
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0615859031677246
CC(C)[NH+]1CC[C@H](NC(=O)N(C)C2CCCC2)C1,-1.383567452430725
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.431207299232483
C[C@](O)(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.2695485353469849
Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1247245073318481
COc1ccc(NC(=O)Cc2ccc(Br)cc2C)cc1I,-0.9233554601669312
O=C(CC1CCOCC1)N[C@@H]1CCN(C2CCCCC2)C1=O,-1.361316442489624
Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.1159747838974
Cc1ccccc1N1CCC[C@H](NC(=O)c2cccc(F)c2)C1,-1.026558756828308
Cc1nc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)co1,-1.003945231437683
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485379219055176
Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.546892762184143
C[NH+]1CCN(c2ccccc2F)CC1,-1.6929047107696533
c1ccc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1,-1.2703958749771118
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccccc2F)C1,-1.001785159111023
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2F)C1,-0.9448004961013794
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0822210311889648
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.137837290763855
[NH3+][C@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0040059089660645
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3752706050872803
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5087800025939941
Cc1cnccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0546765327453613
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3669339418411255
C[NH+]1CCC[C@@H](C(=O)N2CCC[C@H](Cc3ccccc3F)C2)C1,-1.002062201499939
Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nc2)cc1,-1.0531948804855347
Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cc2)cc1,-1.3610758781433105
O=C(NC1CCCCCC1)c1ccc(N2CCC(O)CC2)cc1,-1.487170934677124
O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-0.890836775302887
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(N)cc2)CC1,-0.9802668690681458
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1396421194076538
COc1ccc(CNC(=O)c2cc(Br)[nH]n2)cc1,-1.390970230102539
c1ccc(COc2ccc3cc(-c4ccccc4)ccc3c2)cc1,-1.4580751657485962
Fc1ccc(CNc2ccc(F)cc2-c2ccccc2)cc1,-1.1636121273040771
O=C(NCc1ccc(F)cc1)N1CC[C@@H](C2CCCC2)C1,-1.3040528297424316
Cc1cc(F)ccc1NC(=O)c1cn(-c2ccccc2)nc1C,-0.7843560576438904
O=C(NCc1ccc(F)cc1)c1ccn2cccc(Br)c12,-0.9004231691360474
O=C(NCC1CCOCC1)Nc1ccc(Br)cc1,-1.5655425786972046
Cc1ccc(N2CCN(C(=O)COC(C)(C)C)CC2)cc1,-1.5164211988449097
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2702884674072266
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.504953145980835
O=C(CN1CCCCCC1)Nc1ccc(N2CCSCC2)cc1,-1.4248191118240356
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.257186770439148
CC1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.5360167026519775
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F,-1.0395715236663818
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4596161842346191
Cc1ccc(N2CCOCC2)c(C(=O)Nc2ccccc2F)c1,-1.033400535583496
Clc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.0710837841033936
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0864841938018799
Cc1cccc(C)c1NC(=O)c1cccc(-c2ccccc2)c1,-1.088305950164795
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1892772912979126
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.413008689880371
O=C(NCCc1ccc(Br)cc1)N1CCC2(CCCC2)C1,-1.4366549253463745
CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(Br)cc1,-1.2426228523254395
C[NH+]1CCN(c2ccc(NC(=O)c3ccncc3N)cc2)CC1,-1.026175856590271
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2620569467544556
C[C@H]1CCCCN1C(=O)CNC(=O)Cc1ccc(F)cc1F,-0.9342487454414368
O=C(NC1CCOCC1)N1CCCC[C@H]1c1ccc(F)cc1F,-0.9303773045539856
CC(N=C(O)CCOc1ccccc1)C(O)=NCc1ccc(F)cc1,-1.3951048851013184
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.541304349899292
CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)[nH]1,-1.4356739521026611
O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1,-1.5499109029769897
O=C(O)C1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1,-1.1691838502883911
Fc1ccc(-c2ccc(COc3ccccc3)cc2)cc1F,-1.246694564819336
O=C1OCC[C@@H]1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.2074401378631592
Cc1cc(Br)ccc1NC(=O)CCOc1ccc(F)cc1,-1.2209211587905884
C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.5082124471664429
Cc1ccc(-c2cc(NC(=O)c3cc(C)on3)no2)cc1,-1.252279281616211
CC(C)[C@H](O)CNC(=O)c1csc(-c2ccc(Br)cc2)n1,-0.8549469709396362
CC(C)C[NH+]1CCC(NC(=O)c2cc(F)ccc2F)CC1,-0.9797849059104919
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,-1.4045192003250122
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.163636326789856
O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccccc1F,-1.2727534770965576
Cc1cc(Br)ccc1NC(=O)C(C)(C)Oc1ccccc1,-1.390674352645874
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.199951171875
C[C@H]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1,-1.474685549736023
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2810046672821045
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1136198043823242
[NH3+][C@@H](CC(=O)Nc1ccnn1-c1ccccc1)c1ccccc1,-1.3799631595611572
C[NH+]1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.2850977182388306
NC(=O)C(=O)c1ccccc1,-1.8973139524459839
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599801898002625
O=C(CCNC1CCCCC1)Nc1ccc2c(c1)OCO2,-1.5297938585281372
CC(=O)c1ccc(NCC(=O)N2CC[NH+](C)CC2)cc1,-1.462769627571106
CCCCC(=O)N1CCC(NC(=O)CC2CCCCC2)CC1,-1.5143377780914307
O=C(Nc1ccc(F)cc1)N1CCO[C@H](c2ccccc2F)C1,-1.1088972091674805
Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3)[nH]c2c1,-0.8423387408256531
C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9999721646308899
O=C(N[C@H]1CC12CCOCC2)c1ccc(N2CCOCC2)cc1,-1.4751628637313843
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.055922508239746
CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.3809024095535278
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-1.0882058143615723
NC(=O)c1ccc(NC(=O)Cc2ccc(O)cc2)cc1,-1.5435060262680054
Cc1ccc(N2CCN(C(=O)NCC(C)(C)C)CC2)cc1,-1.2826006412506104
Cc1ccc(CC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4412555694580078
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.9851765632629395
O=C(O)c1ccc(CSCc2ccccc2)cc1,-1.6382780075073242
CC(C)Oc1ccc(NC(=O)C2CCCC2)cc1,-1.6424970626831055
c1ccc(C[NH+]2CC[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1,-1.4770325422286987
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.989055871963501
Nc1ccccc1[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1,-0.9308627843856812
Cc1ccc(CNC2CCN(c3ccccc3)CC2)cc1O,-1.2827482223510742
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.251728892326355
Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1811013221740723
Cc1nc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2C)s1,-0.648628294467926
Cc1cc(Br)ccc1O[C@H](C)C(=O)NC1CC[NH+](C)CC1,-1.0608516931533813
Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1,-1.147481083869934
CN1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.1687891483306885
Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1,-1.4776605367660522
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4217514991760254
O=C(c1cc(Br)ccc1F)N1CCC(Oc2ccccc2)CC1,-0.9975162744522095
C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9927809834480286
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.323079228401184
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1cccc(F)c1,-0.9449465274810791
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1542105674743652
Cc1nnc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)s1,-0.7902736067771912
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.388193130493164
C[NH+]1CCC2(CCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1,-1.5451507568359375
O=C(NCCOc1ccc(Br)cc1)[C@@H]1CCCO1,-1.5804203748703003
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9920976758003235
O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1F,-0.7957582473754883
Cc1cccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)c1,-0.9600919485092163
Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(F)c1,-0.9843103289604187
[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.0196787118911743
CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1,-1.1494537591934204
C[C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1,-1.1216479539871216
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1229054927825928
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.678620457649231
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9753803014755249
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8961869478225708
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1F)c1ccc(Cl)cc1,-0.8517041802406311
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9622206091880798
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858069896697998
Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.2731037139892578
O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.379387617111206
CC1(C)CCCN1C(=O)NC[C@@H](O)Cc1ccc(Br)cc1,-1.2655181884765625
C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3F)CC2)CC1,-1.0045695304870605
Cc1ccc(NC(=O)COc2ccc(C)cc2Cl)c(C)c1,-1.067948818206787
O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4882835149765015
CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3F)no2)C[C@H]1C,-0.7408558130264282
Cc1ccc(-n2ccc(NC(=O)c3cnn(C)c3)n2)cc1,-1.1461546421051025
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080658674240112
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1,-1.1659170389175415
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1079590320587158
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,-0.9999303817749023
Cc1ccc(NC(=O)N2CCCC[C@H]2C(=O)[O-])cc1F,-1.0595468282699585
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1,-1.087500810623169
O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4629138708114624
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1074153184890747
C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1901880502700806
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccco2)CC1,-1.3012498617172241
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.2988495826721191
Cc1ccc(C(=O)N2CCN(CC[NH+]3CCOCC3)CC2)cc1,-1.4448723793029785
Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.7626630663871765
Cc1cc(Cl)ccc1-c1ccc(C(=O)Nc2ccccc2)cc1,-1.039293646812439
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700810194015503
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9832829833030701
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.2751320600509644
Cc1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.1120680570602417
CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2780261039733887
Oc1ccc(-c2ccccc2OCc2ccccc2)cc1F,-1.2917790412902832
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3984589576721191
Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4286458492279053
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023271083831787
Cc1nc(-c2cccc(NC(=O)CC3CCCC3)c2)no1,-1.341446876525879
C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2F)CCO1,-1.1612663269042969
O=C(NCc1cc2ccccc2o1)c1ccc(F)c(F)c1,-1.07076096534729
Cc1cnc(Cl)nc1Nc1ccc(C(=O)N2CCCCC2)cc1,-0.7933307886123657
Fc1ccc(CC(F)(F)F)cc1,-1.7406917810440063
CN(CC1CCCC1)C(=O)Nc1cccc(Br)c1,-1.4805799722671509
CC(=O)c1ccccc1NC(=O)Cc1ccc(O)cc1,-1.4971706867218018
CC(C)CN=C(O)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,-1.115151047706604
O=C(Nc1ccccc1-c1ccc(F)cc1)C1=CCc2ccccc21,-0.8475533723831177
C[NH+]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-0.8680474758148193
O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2,-1.2834216356277466
O=C(NC1CCN(c2ccc(F)cc2)CC1)N1CCCCCC1,-1.2905917167663574
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4651825428009033
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccn2)C1,-1.641611933708191
C[C@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5040744543075562
O=C(CCc1ccc(F)cc1)NCc1ccc(Br)cc1F,-1.0351176261901855
Cc1ccc(CC(=O)NC[C@H]2C[C@H]2C2CCOCC2)cc1,-1.5127631425857544
O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.005347728729248
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997275352478027
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1959882974624634
C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3559811115264893
CCC1(C(=O)NC[C@H]2CCC[NH+](C)C2)CCCC1,-1.6326236724853516
CC1(C)CCN(C(=O)Nc2ccccc2-c2nn[n-]n2)C1,-1.0591599941253662
Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(Cl)c1,-1.1149625778198242
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1056911945343018
O=C(NCc1ccc(Br)c(F)c1)c1cn2ccccc2[nH+]1,-0.9466308355331421
Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2ccn(C)n2)cc1,-1.234544277191162
Nc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.0666331052780151
Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1210482120513916
Nc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1,-1.1053005456924438
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1F,-1.1284414529800415
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1220707893371582
CC(C)c1ccc(CNC(=O)c2cccs2)cc1,-1.567960262298584
O=C(CCl)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1,-1.230595588684082
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.0329734086990356
O=C(N[C@H]1CCCC[C@H](c2ccc(F)cc2)C1)c1ccccc1,-1.2276124954223633
O=C(N[C@H]1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccccc1O,-1.1038628816604614
CC(C)c1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,-0.853411853313446
O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F,-0.9102678894996643
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2168463468551636
Cc1ccc(N2CCN(C(=O)NCC(C)(C)C)CC2)cc1,-1.3001857995986938
Nc1ccc(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1,-0.8687033653259277
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0468182563781738
O=C(Cc1ccc(Br)cc1)NC[C@H]1C[C@H]1C1CCOCC1,-1.2753852605819702
NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)o1,-1.247087836265564
COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.4546000957489014
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.2178386449813843
Cc1cc(N)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1630840301513672
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8550065159797668
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202257871627808
[NH3+]c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4279696941375732
CC1CC[NH+](CC(=O)NCc2csc3ccccc23)CC1,-1.2299219369888306
CC(C)OC(=O)c1ccc(OCC(=O)[O-])cc1,-1.6976810693740845
COc1ccccc1C(=O)N1CCN(c2ccc(N)cc2)CC1,-1.0764284133911133
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.0147747993469238
CC(C)(O)CC(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.5657323598861694
Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3)CC2)c1,-1.1486817598342896
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.0774685144424438
O=C(c1ccncc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1132785081863403
Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.0736910104751587
Oc1ccc(CC2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2390458583831787
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-0.9408632516860962
Cc1ccc(NCc2nc(O)cc(-c3ccccc3)n2)cc1,-1.1129560470581055
O=C(N1CCCC[C@@H](O)C1)N1CCC[C@@H](Cc2ccccc2)C1,-1.428487777709961
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1=O)c1ccon1,-1.1317553520202637
CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.4923577308654785
CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4210275411605835
C[C@H]1CCCCN1c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1,-1.0922573804855347
CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0853643417358398
COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1,-1.0998820066452026
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n[nH]1,-1.1443002223968506
C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1,-1.309267520904541
CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCN)cc1,-1.554788589477539
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.9907175302505493
CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6752351522445679
CO[C@@H](C)C(=O)N1CCN(C(=O)CCc2ccccc2)CC1,-1.497338891029358
Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1,-1.0619076490402222
O=C(Nc1ccc(Cl)cc1O)c1ccc(-c2ccccc2)cc1,-1.176915168762207
CC1CCN(c2ccc(OCC(=O)N3CC=CC3)cc2)CC1,-1.4727420806884766
Cc1ccc(CCNC(=O)N2CCc3ccccc3[C@@H]2C)cc1,-0.9913239479064941
O=C(C1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2160195112228394
O=C(CNC(=O)c1ccc(F)cc1)c1cccc(F)c1,-1.3019541501998901
Cc1ccc(N)cc1NC(=O)c1cccc(-c2ccccc2)c1,-1.0720518827438354
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.4461047649383545
Cc1cc(Br)ccc1NC(=O)NC[C@@H]1CCOC1,-1.4988300800323486
N#Cc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1,-1.3028483390808105
C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CCCO1,-1.4577414989471436
Cn1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)n1,-1.0102351903915405
C[C@H]1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.357589602470398
C[NH+]1CCC(CNC(=O)c2c[nH]c3ccc(F)cc23)CC1,-0.9107571244239807
CC(C)(C)c1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1,-1.0250262022018433
CC(C)c1ccc(C(=O)N[C@@H]2CCN(C)C(=O)C2)cc1,-1.1368932723999023
C[NH+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9498931765556335
O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCCC[C@H]1c1ccccc1,-1.4229094982147217
Cc1nc2c(s1)CN(C(=O)NCc1ccc(O)cc1)CC2,-0.8512529730796814
CCCCCCCCCCCCC(=O)Nc1cccc(OC(C)C)c1,-1.5804693698883057
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741614460945129
CCOc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.6315661668777466
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.240827202796936
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1,-1.0958503484725952
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092125415802002
O=C(Cc1ccc(O)cc1)N[C@@H]1CCN(c2nccs2)C1,-1.3650652170181274
Cc1ccc(CNC(=O)c2c(C)oc3ccccc23)cc1,-1.1909798383712769
CC1(NC(=O)NCc2ccccc2)CCCCC1,-1.7139451503753662
Cc1cc(CC(=O)Nc2cc(-c3ccccc3)on2)no1,-1.514526605606079
CC(=O)N1CCC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1,-0.878196656703949
Cc1ccc(C(=O)N2CCC[C@H](OC3CCC3)C2)cc1Cl,-1.055009365081787
O=C(NCc1ccc(O)cc1)N1CCOC2(CCCC2)C1,-1.5830559730529785
CC(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1,-1.0614757537841797
O=C(NC1CCC(c2nc3ccccc3s2)CC1)c1cccs1,-0.9234178066253662
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1,-1.2913565635681152
C[C@H]1CN(C(=O)Nc2ccc(CC(C)(C)O)cc2)CCO1,-1.6052953004837036
N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,-1.525106430053711
Cc1nocc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.0657238960266113
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653653502464294
CC(C)CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1,-1.4674922227859497
Nc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6689492464065552
O=C1OC(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21,-1.0603270530700684
O=C(O)CCNCc1ccc(-c2ccc(Br)cc2Cl)cc1,-1.0443074703216553
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1O,-1.0867674350738525
O=C(N[C@@H]1CCO[C@@H](c2ccccc2Cl)C1)c1cccc(Cl)c1,-0.9382966756820679
Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c(C)c1,-0.995753824710846
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1552635431289673
O=C(NCC[NH+]1CCCC1)Nc1ccc(Br)cc1,-1.5635656118392944
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9057419896125793
O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.013751745223999
Cc1nc(O)cc(N2CCC(OCc3ccccc3)CC2)n1,-1.1885141134262085
C[NH+]1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1,-1.4479479789733887
O=C(c1ccc(F)cn1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9391418695449829
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8866384625434875
CCCCN=C(O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1,-1.289332628250122
Cc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.073807954788208
Cc1cccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)c1,-1.1335164308547974
CC(=O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.6311200857162476
O=C(COCc1ccccc1)Oc1ccccc1,-1.756436824798584
Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3)CC2)c1,-1.148656964302063
Nc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.1022953987121582
Cc1cc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)c2ccccc2n1,-0.4102213978767395
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1O,-0.8497300744056702
Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)cn1,-0.7631949186325073
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5764532089233398
O=C(c1cccc(-c2ccc(Cl)cc2)c1)N1CCCS(=O)(=O)CC1,-1.0533881187438965
O=C(C[NH+]1CCC[C@H]1c1ccc(Cl)cc1)NC1CCCC1,-1.2068454027175903
Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.073651671409607
Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8991236686706543
Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nc2)cc1,-1.072838544845581
O=C(Nc1ccc(F)cc1Cl)N1CCC([NH+]2CCOCC2)CC1,-0.908664882183075
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C)C2)cn1,-1.2697519063949585
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5875648260116577
O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H](c2ccccc2)C1,-1.4118465185165405
O=C(C[C@@H]1CCCCO1)N1CCN(c2cc(F)c(F)c(F)c2)CC1,-0.5697569847106934
Cc1ccc(Cl)cc1CNC(=O)C[NH+]1CCc2ccccc2C1,-0.9068734049797058
O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-1.082627534866333
Cc1ccc(CNc2cc(C)nc(-c3ccccc3)n2)cc1,-1.1040867567062378
CCOc1ccc(CNc2ccc(F)cc2I)cc1,-1.2813135385513306
Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.3626221418380737
O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1487683057785034
C[C@](O)(CNC(=O)c1ccc(O)cc1)c1ccc(F)cc1,-1.4976837635040283
Cc1cccnc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0154410600662231
[NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0058168172836304
O=C(Nc1ccccc1F)N1CCC(c2ccc(Br)cc2)CC1,-0.8710052371025085
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)ns1,-0.9213822484016418
N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1,-1.1245290040969849
C[C@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4203749895095825
C[C@H]1CCC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2667951583862305
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0654466152191162
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4397354125976562
COc1ccccc1CCNC(=O)[C@H]1CCCC[NH+]1C,-1.527329683303833
Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)no1,-0.9965912699699402
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1F,-0.7768698334693909
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CC(F)(F)C1,-1.3387006521224976
Cc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1F,-0.9216420650482178
Fc1ccc(C2CCCCC2CNC2CCOCC2)cc1F,-1.0087718963623047
Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.4185081720352173
Fc1cc(OCC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1254528760910034
Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4253144264221191
CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2909554243087769
Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)s1,-0.9192050099372864
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5197649002075195
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5051802396774292
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C)cc1C,-1.062712550163269
Fc1cc(CC2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1474993228912354
O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6469788551330566
CCc1ccc(C(=O)NCc2cnc(C)s2)cc1,-1.362917184829712
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9581867456436157
O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2cc(Cl)ccc2O1,-0.983585774898529
O=C(NCCCc1ccc(F)cc1)c1ccc(F)c(F)c1,-1.1086262464523315
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0432971715927124
O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8945140838623047
Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2[nH]1,-0.9469399452209473
CC(C)C(=O)N1CCC(NC(=O)[C@H]2CC23CCCCC3)CC1,-1.0603373050689697
[NH2+]c1ccc(C(=O)NC2CCC(c3ccccc3F)CC2)cc1,-1.0825121402740479
O=C(Nc1nc2ccccc2o1)c1cccc(N2CCCC2)c1,-1.136629581451416
O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@H](C2CCOCC2)C1,-0.9079335927963257
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0017783641815186
Cc1ccc(-c2cccc(F)c2)c(OCc2ccccc2)c1,-1.3062994480133057
Cc1ccccc1[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+](C)C2)CCO1,-1.2818409204483032
O=C(Cc1c[nH]c2ccc(F)cc12)NCC1CCOCC1,-1.2560969591140747
O=CNC[C@H]1CCCOC1,-2.006683349609375
Nc1ccc(F)cc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9822792410850525
CC(=O)N1CCC(NC(=O)N2CCOC(C)(C)C2)CC1,-1.5367884635925293
Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2343908548355103
Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9650019407272339
O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.1281591653823853
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)n1,-0.9072925448417664
Cc1ccc(Br)cc1C(=O)N[C@H]1CC[NH+](CCC(C)C)C1,-0.9687210917472839
O=C1CCCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0860612392425537
N#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2)c1,-1.3511134386062622
Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1037081480026245
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1899468898773193
Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccccc3O)C2)cc1,-1.250003457069397
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1684566736221313
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0205364227294922
Cc1ccccc1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.177016258239746
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502537965774536
c1ccc([C@H]2CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1,-1.4274629354476929
Cc1ccc(N2CCN(C(=O)c3ccc(O)c4ccccc34)CC2)cc1,-0.6787680387496948
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9918642044067383
O=C1CC(NCc2ccc(Cl)cc2)CN1c1ccccc1,-1.2962939739227295
O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-1.0356321334838867
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.339359998703003
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.448447585105896
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5586272478103638
[NH3+]c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0293505191802979
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.427957534790039
C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.271553635597229
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.854993462562561
O=C(Cc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1,-1.5345922708511353
COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.1309549808502197
O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(I)cc2)C1,-0.9784964323043823
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1,-0.8942564129829407
CC(NCc1ccc2c(c1)CCC(=O)N2)c1ccccc1,-1.2183125019073486
Cn1cc([C@@H]2CCCN2C(=O)Nc2cccc(Br)c2)cn1,-0.9804760813713074
C=C(Br)C(=O)Nc1cc(Br)ccc1Cc1ccccc1,-1.0448840856552124
Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0263196229934692
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2852567434310913
Cc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2)c2ccccc2n1,-0.4621903896331787
NC(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2)cc1,-1.4702763557434082
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3748544454574585
N#CCCOc1ccc(NC(=O)C2CCCC2)cc1,-1.6336665153503418
CC1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.2148213386535645
Cc1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.9520602226257324
O=C(N[C@@H]1CCOC[C@H]1F)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0080562829971313
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.143389105796814
Cc1cccc(C(=O)NCC(=O)c2cccc(Cl)c2)c1,-1.3034794330596924
O=C(NCc1ccc(O)cc1)c1cc2ccc(Cl)cc2o1,-1.1540650129318237
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9096939563751221
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4425761699676514
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)o1,-0.9320310354232788
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.708065152168274
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3424930572509766
O=C(NCC1CCCCC1)c1ccc(CCCBr)cc1,-1.4934008121490479
CC1(C)[C@@H](O)C[C@H]1NC(=O)c1ccc(CC(=O)[O-])cc1,-1.375483512878418
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9813438057899475
CC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1,-1.368554949760437
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.3049712181091309
O=C(c1ccnn1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0897502899169922
C[C@@H]1CN(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC[NH+]1C,-1.1572312116622925
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.0779592990875244
Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1,-1.4381060600280762
Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1,-1.1103792190551758
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3679323196411133
Nc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9364967942237854
Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0275076627731323
CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.127414584159851
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2943830490112305
C[C@H]1C[NH+](C2CCN(C(=O)NC(C)(C)C)CC2)CCCO1,-1.3195782899856567
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-1.0233420133590698
COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.0243644714355469
O=C(NCc1nc2ccccc2s1)c1ccc(F)c(O)c1,-0.8522530198097229
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CC(F)(F)F)cc1,-1.063301920890808
Cc1noc(C)c1CNC1CCN(c2ccc(F)cc2)CC1,-0.8685751557350159
Nc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1,-1.3855092525482178
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1121723651885986
O=C(Nc1ccccc1Br)C1CCN(c2ccc(F)cc2)CC1,-0.8680345416069031
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9209916591644287
CC(=O)NC[C@H]1CCCC[NH+]1CC1CCOCC1,-1.6497204303741455
O=C1N(Cc2cccc(Br)c2)CC[NH+]1Cc1ccccc1,-1.4722527265548706
O=C(c1ccccc1)N1CCC(Oc2ccc(Cl)cc2F)CC1,-1.0216649770736694
Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.0499773025512695
Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.5389422178268433
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)cc3c2)cc1,-1.186255931854248
CC(Cc1ccc(Cl)cc1)c1nc(Cc2ccccc2)no1,-1.2041929960250854
O=C([C@H]1CCCCO1)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.3483589887619019
CCNC1CCN(CCOc2ccc(Br)cc2)CC1,-1.5095006227493286
O=C(Nc1ccc(Cl)cc1O)c1ccc(C2CCCCC2)cc1,-0.9912574291229248
Nc1ccc(NC(=O)NCc2ccccc2)nc1,-1.6383514404296875
Cc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.4541904926300049
CCCCOc1ccc(C(=O)NC2CCNCC2)cc1,-1.5980030298233032
CCCC[NH+]1CC[C@H](NC(=O)c2ccc(OC)cc2)C1,-1.6153905391693115
O=C1CCCCN(Cc2ccccc2)CN1Cc1ccccc1,-1.5550205707550049
O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.6803319454193115
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1433591842651367
CC(C)(C)CNC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.201291799545288
CC(C)Oc1ccc(NC(=O)c2cccs2)cc1,-1.6407021284103394
O=C(c1ccccc1)N1CCN(CCc2ccc(I)cc2)CC1,-1.224770426750183
COc1ccc(Cn2c(S)nnc2-c2ccc(C)cc2)cc1,-0.9581764340400696
O=C(Nc1ccc(N2CC(O)CC2=O)cc1)c1ccccc1,-1.5240236520767212
O=C(Nc1ccc(O)cc1F)c1ccc(-c2ccccc2)cc1,-1.1205835342407227
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1,-1.5329831838607788
Cc1ccc(-c2ccc(OCc3cccc(Br)c3)cc2)cc1,-1.406811237335205
O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCN(c2ccccc2)C1,-1.0232346057891846
CC(NCc1ccc(F)cc1)C(O)=NCc1ccccc1,-1.5685228109359741
Cc1c(Cl)cc(C(=O)OCC(=O)O)cc1N1CCCCCC1,-0.9516269564628601
O=C([C@@H]1CCCC[NH+]1C1CC1)N1CCC(c2ccccc2)CC1,-1.064113736152649
Cc1cc(O)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-1.095473051071167
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3314470052719116
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.145687222480774
Cc1ccc2[nH]c(CC(=O)NCC3CCOCC3)nc2c1,-1.2334785461425781
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5749006271362305
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3790606260299683
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)C1CCCCCC1,-1.0599758625030518
Cc1ccc(C[C@H]2C[NH+](C)CCN2Cc2ccccc2)cc1,-1.4525316953659058
Fc1nc2ccccc2cc1-c1nc(COc2ccccc2)no1,-0.9258978366851807
c1ccc(-c2nc(NCC3CCCCC3)nc3ccccc23)cc1,-0.9980853796005249
Cc1ccc(-c2ccc(C(=O)N3CCOC4(CC[NH2+]CC4)C3)cn2)cc1,-1.055324912071228
C[C@@H]1C[NH+](Cc2nc(-c3ccccc3)no2)C[C@H]1C(=O)[O-],-1.1572548151016235
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.016719937324524
Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCC2)cn1,-1.0480464696884155
Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)cc1,-1.0634864568710327
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cn1,-0.8646432161331177
O=C(c1nc(Cc2ccccc2)no1)N1Cc2ccccc2C1,-1.1134382486343384
Cc1cccc(CN2CCN(C(=O)c3cccc(C)c3)CC2)c1,-1.2148152589797974
Cc1cccc(N2CC[C@H](NC(=O)c3cnc(C)s3)C2)c1,-0.9519645571708679
Cc1cc(F)ccc1N1CCN(C(=O)NC2CCOCC2)CC1,-0.9998510479927063
Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1210522651672363
Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1,-1.073245882987976
O=C(NC1CCCCC1)N1CCC[C@H](c2ccc(F)cc2F)C1,-0.9458820223808289
C[C@@H]1C[C@@H](NC(=O)c2ccccc2F)C[C@H](c2ccccc2)C1,-1.029471755027771
CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.6194418668746948
Cc1cnc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1,-0.4985820949077606
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0281314849853516
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(Br)c1,-1.2273688316345215
Cc1ccc(-c2ccnc(SCc3ccc(F)cc3)n2)cc1,-0.9796315431594849
NC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8512463569641113
CCC(C(=O)O)c1ccc(OCc2ccc(F)cc2)cc1,-1.410438060760498
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565026998519897
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0230032205581665
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748008251190186
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110884666442871
Cc1nc(C)c(C(=O)NCc2ccc(Br)cc2F)c(C)n1,-0.28388699889183044
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.3796124458312988
Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-1.0500223636627197
Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)cc1,-1.3128997087478638
CC1(C)CC(CNC(=O)c2ccc3c(c2)CCC3)C1,-1.331337571144104
O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCC2(CCCCC2)CC1,-0.942628026008606
O=C(c1cccc(F)c1)N1CCC(Cc2ccccc2O)CC1,-1.0892524719238281
O=C([O-])[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1,-1.1950470209121704
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.57194983959198
C[NH+]1CCN(c2ccccc2F)CC1,-1.725182294845581
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.191725730895996
O=C(Cn1cccn1)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-1.2669768333435059
COc1ccc(NC(=O)N2CCC=C(C3CCCC3)C2)cc1,-1.4317454099655151
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Br)cc2)C1,-1.0404044389724731
O=C(c1ccccc1Br)N1CCC[C@@H](Nc2ccc(F)cc2)C1,-0.9047273397445679
COc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1,-1.4412566423416138
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2164223194122314
CC(C)C(=O)Nc1ccc(N(C)C(=O)C(C)(C)N)cc1,-1.1139768362045288
Cc1nonc1CNC(=O)Nc1ccc(I)cc1,-1.2505295276641846
Nc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-1.0120010375976562
C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4258924722671509
Cc1cccc(NC(=O)NC[C@@H]2CCCCO2)c1,-1.6830480098724365
CC(=O)N1CCC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1,-1.0096299648284912
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,-0.7849087715148926
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305423974990845
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0283299684524536
O=C(Nc1ccc(Cl)cn1)C1(c2cccc(F)c2)CCC1,-1.0388517379760742
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.143183946609497
CC(N)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.5898932218551636
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C(=O)c1ccccc1,-1.129814624786377
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1244287490844727
[NH3+][C@@H](CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1,-1.517600417137146
Cc1ccc(Oc2cccc(NC(=O)C(=O)O)c2)cc1,-1.6030998229980469
Cc1ccc(CN2CCN(C(=O)C3OCCc4ccccc43)CC2)cc1,-0.9408342242240906
O=C(Nc1ccc(O)cc1Cl)c1cccc(-c2ccccc2)c1,-1.1748249530792236
C[C@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9419171214103699
C[NH+]1CC[C@H](NC(=O)c2ccc(O)cc2)C[C@H]1c1ccccc1,-1.1637848615646362
O=C(CN1CCCCC1=O)N[C@H]1CCN(c2ccccc2)C1,-1.4455124139785767
Cc1cc(CC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)no1,-1.4452375173568726
Cc1ccc2cccc(C(=O)N3CCN(c4ccccc4)[C@@H](C)C3)c2n1,-0.5646719336509705
O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccn1,-1.2692615985870361
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124998569488525
O=C(c1ccccc1O)N1CCC(Nc2ccc(Cl)cc2)CC1,-1.0393739938735962
CC(C)[NH+]1CCN(C(=O)c2ccccc2)C[C@H]1c1ccccc1,-1.1360502243041992
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248883962631226
CCOc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.6303329467773438
C[C@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+],-1.4478025436401367
Cc1nn(C)c2cc(C(=O)NC[C@H]3CCCCO3)ccc12,-0.9864080548286438
CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.390930414199829
COc1cccc(C(N)=O)c1,-1.884527325630188
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.176132321357727
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584556221961975
O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2cccc(F)c2)CC1,-0.48640844225883484
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424176812171936
O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1,-1.431452751159668
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1405850648880005
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934248328208923
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.0208581686019897
C[C@@H]1CN(C(=O)Nc2ccccc2F)CCN1c1ccccc1,-1.155544400215149
O=C(CC1CCOCC1)Nc1ccc(N2CCCC2=O)cc1,-1.5434809923171997
C[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCCC1,-1.4905624389648438
O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.3237814903259277
C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C(=O)[O-])C1,-1.0638964176177979
CCC[NH+]1CCN(C(=O)CCC2CCN(c3ccccn3)CC2)CC1,-1.1700232028961182
Cc1ccc(CC(=O)Nc2nc3cc(C)ccc3s2)cc1,-0.9955360889434814
C[C@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.332344651222229
C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(C)C(=O)C1,-1.4436779022216797
CCCCOc1ccc(CNC(C)C(=O)O)cc1,-1.7053405046463013
Cc1ccc(N2CCC(C(=O)Nc3ncccc3Cl)CC2)cc1,-0.843548595905304
CN1CCCCC1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9726539850234985
[NH3+][C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2472807168960571
C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1889938116073608
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9637972712516785
Fc1ccc(C[C@H]2C[NH+](Cc3ccc(F)cc3)CCO2)cc1,-1.3720929622650146
CCOc1cccc(CN2CCCC2C(=O)O)c1,-1.6354049444198608
Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0893127918243408
Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2195658683776855
O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.2210557460784912
C[NH+]1CCCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9744724035263062
C[NH+]1CCC[C@H](CNC(=O)N2CCC3(CCCCC3)C2)C1,-1.5279101133346558
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.225401520729065
CC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-1.4293678998947144
O=C([O-])CC[NH+]1CCN(C(=O)Nc2cc(F)ccc2F)CC1,-1.0348340272903442
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.674798607826233
CC(C)[C@@H](NC(=O)c1ccc(Br)cn1)c1ccc(F)cc1,-0.8335686326026917
Brc1ccc(COc2cc(Br)ccc2-c2ccccc2)cc1,-1.0576732158660889
O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.978551983833313
COc1ccc(CNC(=O)c2ccc(C)[nH]2)cc1,-1.6252537965774536
CC1CN(C(=O)C2CCN(c3ccc(F)c(F)c3)CC2)CC(C)O1,-0.6769130229949951
Nc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1,-1.2157524824142456
O=C(CC1CCCCC1)N[C@@H]1CCCN(c2ccccc2F)C1,-1.2776176929473877
C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CCCC2)C1,-1.0627477169036865
CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1,-1.1058822870254517
O=C(Cc1ccccc1)N[C@H]1CCCN(c2ccccc2Cl)C1,-1.1986021995544434
Fc1ccc(NCc2ccc(Br)cc2)c(-c2ccccc2)c1,-1.0646371841430664
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424177885055542
O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2345608472824097
C[NH+]1CCN(c2ccc(C(=O)OCC(F)(F)F)cc2)CC1,-1.1536916494369507
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6646161079406738
O=C(c1c(F)cc(F)cc1F)N1CCCCC1,-0.9702771902084351
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)nc1,-1.0314438343048096
O=C(COc1ccccc1)N1CCOC[C@H]1c1ccc(Br)cc1,-1.3644987344741821
Clc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.0063306093215942
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.217879056930542
O=C(CCc1ccccc1)NCc1ccc2c(c1)CCN2,-1.530418872833252
O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2)CC1,-1.482543706893921
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2n[nH]cc2c1,-1.0904535055160522
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9788059592247009
Cc1ccc(C(=O)N[C@@H]2CCCN(c3nnc(C)s3)C2)s1,-0.7094507813453674
O=C(NC[C@H](O)CCc1ccccc1F)c1ccc(Br)cc1O,-1.0027341842651367
O=C(C[NH+]1CCc2nc[nH]c2C1)NCc1ccc(Cl)cc1,-1.1616623401641846
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2C1,-0.7440460920333862
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6709537506103516
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.9699251651763916
O=C(Nc1ccc2nc[nH]c2c1)N1CCC[C@@H]1c1ccccc1,-1.0677316188812256
O=C(N[C@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1O,-1.003364086151123
C[C@@H](Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCC[NH+](C)C1,-0.9315364956855774
O=C(Cc1ccc(O)nc1)N1CCC[C@H](Oc2ccccc2)C1,-1.5176855325698853
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3648498058319092
Nc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1,-0.9959015250205994
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCOC2(CCCCC2)C1,-1.038511872291565
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390105724334717
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.039279580116272
O=C(N[C@@H]1CCCC[C@H]1O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9580262899398804
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1312223672866821
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2923157215118408
Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(F)cc2)no1,-1.1128411293029785
CC(C)CNC(=O)C1(C)CCN(c2ccc(Br)cn2)CC1,-0.9588503241539001
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0593599081039429
O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2o1,-1.0441453456878662
CC(C)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1,-0.8574638962745667
[NH3+][C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1507772207260132
O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCCCC12CCCC2,-1.2078384160995483
O=C(N[C@@H]1CC(=O)N(c2cccs2)C1)c1cc(F)ccc1Br,-0.7354772686958313
COc1ccc(NC(=O)N2CCC(CCO)CC2)cc1,-1.5682005882263184
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1861292123794556
Nc1cnc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-0.9515856504440308
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-0.9870285987854004
C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.2328728437423706
N#Cc1ccc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1,-1.0235308408737183
O=C(Cc1ccccn1)N[C@H]1CCCN(c2cccc(F)c2)C1,-1.3185832500457764
CC(C)(O)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.3599071502685547
Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccc(Cl)cc2)cc1,-1.0363669395446777
c1ccc(COc2ccc(-c3ccccc3)c3ccccc23)cc1,-1.2108259201049805
O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)N1,-1.5895664691925049
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3C)C2)cc1,-1.1166086196899414
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.225164771080017
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2188084125518799
Cc1ccc(-c2cnc(C)nc2NCc2ccccc2)cc1,-0.9923302531242371
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1917086839675903
Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.4757968187332153
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1462754011154175
O=C(Cc1ccccc1Br)NC1CCN(c2ccccc2)CC1,-1.1737405061721802
O=C(NCc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1,-0.6063768267631531
Cc1cc(F)ccc1NC(=O)Cc1nc(-c2ccccc2)no1,-1.0356113910675049
O=C(CNc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.2799345254898071
Cc1nn(Cc2ccccc2)cc1C[NH+]1CC(C)O[C@@H](C)C1,-1.2625772953033447
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0788604021072388
O=C(Nc1ccc(I)cc1F)[C@@H]1CCC[C@@H](c2ccccc2)C1,-0.899573802947998
Cc1nc(N)cc(NC2CCC(OC3CCCCC3)CC2)n1,-1.0888348817825317
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8679137229919434
Cc1cccnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0374842882156372
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2cccc(F)c2)C1,-0.9357714653015137
O=C(N[C@H]1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1O,-1.0799143314361572
NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)s1,-1.5380162000656128
CS(=O)(=O)CNCc1ccc(-c2ccc(F)cc2)cc1,-1.5328494310379028
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924218893051147
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nn1,-0.9418392181396484
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2485836744308472
C[C@@H]1CCCC[NH+]1Cc1nc(C2CCCC2)no1,-1.404002070426941
Cc1n[nH]c2ccc(C(=O)NCc3ccc(Br)cc3)cc12,-0.8347197771072388
Cn1nc(C(=O)NCc2ccc(Br)cn2)c2ccccc21,-0.7537335157394409
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692864656448364
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2213916778564453
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0893388986587524
Clc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl,-1.106587529182434
O=C([O-])[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.1661888360977173
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.5328340530395508
O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1,-1.0487689971923828
Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@H]2C)cc1,-1.164536714553833
O=C(Nc1ccccc1O)C1CCN(c2cccc(Cl)c2)CC1,-1.0038665533065796
Nc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1F,-0.9744824767112732
C[C@H]1CCN(c2ccc(NC(=O)C3CCOCC3)cc2)C1=O,-1.2130398750305176
O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8969467878341675
OC1(Cc2ccccc2)CC[NH+](Cc2ccc(F)cc2)CC1,-1.536894679069519
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)ns1,-0.8410389423370361
Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(N)cc2)cc1,-1.4964834451675415
Cn1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cn1,-0.8433694243431091
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.046397089958191
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0646594762802124
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)C1(O)CCC1,-1.4499473571777344
Cc1nnc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)s1,-0.789545476436615
Cc1ccc(O)cc1C(=O)Nc1ccc(C2CCCCC2)cc1,-1.1220941543579102
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140270233154297
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2223085165023804
CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCCCC1,-1.5177617073059082
C[C@H]1CCCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1,-1.1342486143112183
Fc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1,-1.4551386833190918
Cc1ccc(C(=O)N2CCC(C(O)=NCc3ccccc3)CC2)cc1,-1.1571102142333984
O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0367151498794556
Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0222183465957642
O=C(NCc1cc2ccccc2o1)N1CC[NH+]2CCCC[C@H]2C1,-1.1074364185333252
C#CCN=C(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.5193181037902832
CCCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.273948311805725
Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1O,-1.038947582244873
O=C(O)c1cc(Cl)ccc1N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9028645157814026
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069463849067688
O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.421739935874939
Cc1ccc(NC(=O)N2CCN(C3CCCCCC3)CC2)cc1,-1.2991613149642944
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1933051347732544
Cn1cc(NC(=O)C2CCCC2)c(-c2cccc(I)c2)n1,-0.874728262424469
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.1814767122268677
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)nc1,-0.9014912247657776
Fc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.2812994718551636
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0839091539382935
CCCC1(O)CCN(C(=O)N[C@@H]2CC23CCCCC3)CC1,-1.546607255935669
CNc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.5955026149749756
O=C(N[C@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.2621644735336304
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2592729330062866
CN1CC[C@H](NC(=O)N2CCC(c3ccccc3)CC2)C1=O,-1.1213752031326294
Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2910360097885132
Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-0.9972414374351501
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.163613200187683
COc1ccc(C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)cc1,-1.3141332864761353
Cc1ccccc1-c1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1,-1.0657566785812378
CC(C)CN=C(O)C1CCCN(Cc2ccc(-c3ccccc3)cc2)C1,-1.110979437828064
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238935112953186
C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H](C)O1,-1.3805028200149536
COc1ccc(NC(=O)CNC2CCCC2)cc1,-1.6563197374343872
Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.219436764717102
O=C(NC1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1Cl,-0.740622341632843
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.926364541053772
O=C(Nc1ccc(F)cc1Cl)C1CC[NH+](C2CCCCC2)CC1,-0.7391030788421631
O=C(Cc1ccccc1Br)N[C@@H]1CCCN(c2ccccc2)C1,-1.16879403591156
O=C(c1cccs1)N1CCN(CC2CCC3CCCCN32)CC1,-0.9770799279212952
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0206490755081177
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3557180166244507
CCN1CCN(C(=O)CCNCc2ccccc2)CC1,-1.6062427759170532
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.887097954750061
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.093360424041748
COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N3)cc1,-1.4341963529586792
Cc1ccc(N2CCN(C(=O)c3ccc4ccc(N)cc4n3)CC2)cc1,-0.5500672459602356
CCc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1,-1.0143487453460693
Cc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.686152458190918
CCc1ccc([C@H]2C[C@@H](O)C[NH+]2Cc2ccc(Br)cc2)cc1,-1.2530925273895264
COC(=O)c1cccc(C(=O)N2CCc3cc(Br)ccc32)c1,-0.8350918292999268
CC(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1,-1.5203207731246948
Cc1ccc(CNC(=O)c2ccc3cc(Cl)ccc3n2)o1,-1.0679839849472046
C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.362370252609253
O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cccc(Cl)c1,-1.0395011901855469
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)on1,-1.1981825828552246
Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@@H]2C)cc1,-1.4581652879714966
Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9656232595443726
O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1984894275665283
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.5009511709213257
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0194566249847412
Cc1ccc(C(=O)N2CCC[C@@H](CN3CCCC3=O)C2)cc1,-1.1771798133850098
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9604595899581909
O=C(NCCc1ccc(Br)cc1)N[C@H]1CCOC1,-1.569281816482544
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3678486347198486
Cc1cc(C(=O)NC2CCCC2(C)c2ccccc2)no1,-1.3474397659301758
O=C(N[C@H]1CCOC[C@@H]1c1ccc(F)cc1)N1CCC[NH2+]CC1,-1.2616236209869385
CC(=O)Nc1ccc(C(=O)N2CCC3(CCC3)C2)cc1,-1.5319769382476807
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0612666606903076
O=C(NCc1ccns1)N1CCO[C@@H](C2CC2)C1,-1.5678235292434692
Cc1coc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.292261004447937
Cc1ccc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nc2c1,-0.4591215252876282
Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2c2ccccc2C)cn1,-1.059351921081543
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.4888310432434082
OC(Cc1ccc(F)cc1)=NCCNCc1ccccc1,-1.5657473802566528
Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5442578792572021
COc1ccc(NC(=O)N2CCC3(CCCCCC3)CC2)cc1,-1.4949296712875366
O=C(CCc1ccccc1)N1CCC(OC2CCCCC2)CC1,-1.5203909873962402
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1152578592300415
Fc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl,-1.3036595582962036
Cc1ccc([C@@H](C)CCNC(=O)N2CCc3sccc3C2)cc1,-0.9437651634216309
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3798421621322632
Cc1cccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c1F,-1.0914075374603271
CN1CCN(c2ccccc2)C1=O,-1.8233479261398315
O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9244509935379028
Fc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1,-1.0265663862228394
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172501564025879
Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-1.028800368309021
O=C(Nc1ccc([O-])cc1)c1ccc(N2CCNC2=O)cc1,-1.3449492454528809
Cc1ccc(-c2nc(C(=O)N[C@@H]3CC[C@@H](C)C3)no2)cc1,-1.1218197345733643
CC(C)N=C(O)CNC(=O)N1CCN(c2ccccc2)CC1,-1.3634039163589478
Cc1ccccc1C(=O)Nc1cc(Cl)ccc1-c1ccccc1,-0.9833655953407288
Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1F,-1.2297415733337402
Cc1nc(-c2ccc(CNC3CC(C)(C)C3)cc2)no1,-1.281575322151184
CC(=O)c1ccccc1NC(=O)Cc1ccc(O)cc1,-1.5330886840820312
CC1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1,-1.4284465312957764
O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1,-0.9304130673408508
[NH3+]CCCOc1ccccc1,-1.981165885925293
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(O)cc1,-1.0295268297195435
Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.0313059091567993
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0223077535629272
O=C1CCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Br)cc1,-1.0067636966705322
CCOc1ccc(CN2CC[NH+](CCCCO)CC2)cc1,-1.6547576189041138
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.254248857498169
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9869692325592041
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-0.8252423405647278
Nc1cnccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.047252893447876
CC(=O)c1ccccc1C(=O)Nc1ccc(N)c(C)c1,-1.2596335411071777
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3017778396606445
Fc1ccc(-c2ccccc2CNc2ccc(Br)cc2)cc1,-1.06401789188385
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1281867027282715
Nc1ccccc1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1440232992172241
Nc1ccccc1-c1ccc(NC(=O)c2ccc(I)cc2)cc1,-0.9312506914138794
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.104718565940857
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCCCC1,-1.570058822631836
O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.1174455881118774
Cn1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9874863624572754
N#Cc1ccc(-c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)no2)cc1,-0.6612269878387451
CCC1CCN(C(=O)NC[C@H]2CC[C@@H](O)C2)CC1,-1.6007906198501587
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nc1,-1.071915626525879
CN1CCN(c2ccc(OCc3cccc(Cl)c3)cc2)CC1,-1.2603211402893066
CC(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(F)cc2Br)C1,-0.6704826951026917
COc1ccc(CCNCc2ccc(Cl)cc2)cc1,-1.5700857639312744
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.0910403728485107
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3854693174362183
N=C(O)C1CCCCC1NCc1ccc(-c2ccccc2)cc1,-1.2643662691116333
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0060582160949707
Nc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cn1,-0.9097104072570801
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4252408742904663
COC(=O)c1ccccc1S(=O)(=O)NC1CCCCCC1,-1.573574185371399
O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0934823751449585
Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.102982521057129
O=c1[nH]c1=O,-2.1824021339416504
Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2=O)cc1,-1.502578854560852
Nc1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.214724063873291
Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)no1,-1.010360836982727
c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2,-1.4688916206359863
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845788955688477
C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(Cl)cc1,-1.061479926109314
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)[nH]1,-1.1164360046386719
CCN1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.0604839324951172
C[NH+]1CCN(c2cccc(NC(=O)c3ccncc3F)c2)CC1,-0.9269382357597351
Cc1ccc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc1,-1.4244633913040161
Clc1ccccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1,-0.8726208209991455
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1c(F)cccc1F,-0.885435163974762
O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1C[C@@H]1C1CCOCC1,-1.255035638809204
CC(C)(O)CC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1,-1.5487903356552124
O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.5797838568687439
Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1,-1.2304967641830444
Cn1cc(NC(=O)[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.2071881294250488
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110177516937256
CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4441109895706177
O=C(Nc1ccncc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9691510200500488
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567813873291016
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0086262226104736
Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9600710868835449
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741589069366455
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.23203444480896
CC(C)(C)OC1CCN(C(=O)c2cccc(Br)c2O)CC1,-1.1797409057617188
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1314237117767334
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](c3ccccc3)C2)CC1,-1.0545114278793335
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc([O-])cc1,-1.0407254695892334
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8776386380195618
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567800760269165
O=C(c1cccc(F)c1)N1CCC[NH+](Cc2ccccc2)CC1,-1.3371599912643433
C[C@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9507244825363159
CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4195563793182373
C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1942486763000488
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0656648874282837
COC(=O)C1CCC[C@H](NC(=O)c2ccccc2)C1,-1.590514898300171
O=C(Nc1ccc(F)cc1Br)[C@@H]1CCCN(c2ccccc2)C1,-0.8710166811943054
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.236786127090454
Cc1nc2ccccc2n1CC(=O)NCc1ccccc1,-1.257455825805664
O=C(N[C@H]1CCO[C@H]1c1ccc(F)cc1)N1CC[C@@H](O)C1,-1.274699091911316
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCCO1,-1.5100083351135254
COC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1426546573638916
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1299951076507568
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1404560804367065
O=C(COc1ccccc1F)N1CCN(c2ccccc2)CC1,-1.3236525058746338
O=C(c1ccccc1)N1CCC(C(O)Cc2ccccc2)CC1,-1.4637616872787476
C[C@@H](O)C1CCN(C(=O)NCC2CCCC2)CC1,-1.5972936153411865
CCOc1ccc(CNc2ccc(N)cc2C)cc1,-1.5428117513656616
O=C(CNCc1ccccc1)Nc1ccccc1,-1.7282689809799194
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0141948461532593
Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC(C)(C)C2)CC1,-1.208090901374817
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9747300744056702
COC(=O)c1ccc(C(=O)NC2CC=CC2)cc1,-1.6331424713134766
C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1587227582931519
O=C(c1cc(Cl)co1)N1CCC(C(=O)N2CCOCC2)CC1,-1.1258423328399658
Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1022899150848389
CC1(C)CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ccccc2)C1,-1.2487748861312866
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.2645596265792847
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0326964855194092
COc1ccc(C[NH+]2Cc3ncnn3C[C@H]2c2ccccc2)cc1,-1.0528475046157837
CC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2)cc1,-1.3270721435546875
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5149708986282349
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517486453056335
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1783180236816406
Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1,-1.5492616891860962
[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2cccc(F)c2)c1,-1.0016413927078247
C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9915304780006409
Fc1ccc(COC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.171957015991211
COCc1cccc(C[NH+]2CCC3(CCC[NH+](C)C3)CC2)c1,-1.523511528968811
O=C(N[C@H]1CCc2sccc2C1)c1csc(C2CCCCC2)n1,-0.7917330861091614
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.6644918918609619
O=C(C[NH2+]Cc1ccc2[nH]ccc2c1)N1Cc2ccccc2C1,-1.1213135719299316
CN(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1,-0.8819944262504578
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2371430397033691
COC(=O)C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1,-0.8764318227767944
Cc1ccc(C(=O)NCc2ccc3nc(O)[nH]c3c2)cc1,-1.1362446546554565
O=C(NC1CC(c2cccc(Br)c2)C1)c1ccc(Cl)cc1,-0.935492992401123
O=S(=O)(NCCOc1ccccc1)c1ccc(Br)cc1,-1.5264979600906372
CC(C)(C)c1ccc(NC(=O)c2ccc(F)cc2F)cc1,-0.9063154458999634
c1ccc(N2CCN(Cc3nc(C4CCCCC4)no3)CC2)cc1,-1.2858386039733887
O=C(Cc1cccc(O)c1)NCc1nc2ccccc2o1,-1.4492194652557373
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.8913961052894592
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701837301254272
Cc1ccc(Oc2ccccc2CN2CCN(C)CC2)cc1,-1.458404302597046
O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(F)cc1,-1.2981541156768799
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1F,-0.7988446354866028
COc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1,-1.4775364398956299
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2717840671539307
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9977999329566956
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0445305109024048
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9612364172935486
O=C(CNC(=O)C1CCOCC1)Nc1ccccc1,-1.669761061668396
Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1,-0.8768866062164307
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2655949592590332
O=C(c1cccs1)N1CC[NH+](Cc2nc3ccccc3s2)CC1,-0.8804160952568054
O=C(Cn1cc2ccccc2n1)NCc1ccc(F)cc1,-1.2893751859664917
O=C(c1noc(Cc2ccc(Cl)cc2)n1)N1CC[C@@H](O)C1,-1.2103716135025024
CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3543273210525513
Cc1[nH]c(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3C)CC2)c[nH+]1,-1.1239022016525269
O=C(CCN=C(O)Oc1ccccc1)NCc1ccccc1,-1.6134474277496338
O=C(O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.5107754468917847
O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-0.9956214427947998
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.14304780960083
[NH3+][C@@H](C(=O)NCCc1cccc(F)c1)c1ccc(Br)cc1,-1.1421711444854736
CCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.3174211978912354
Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)o1,-1.461180567741394
Fc1ccc(CNc2cccnc2-c2ccc(F)cc2)cc1,-1.1665149927139282
O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8885794878005981
Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1,-1.0009623765945435
O=C(N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1Br,-0.9429000020027161
CC1(C)CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2)C1,-1.4261225461959839
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1F,-1.23407781124115
O=C(NCc1ccc(O)nc1)Nc1ccccc1,-1.6678619384765625
O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC12CCCCCC2,-1.3831593990325928
CN1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2)C1=O,-1.1528321504592896
O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCC[NH+](C2CCCCC2)C1,-1.3616710901260376
COc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.4480907917022705
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.289897084236145
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9298132061958313
Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0352157354354858
CC(=O)Nc1ccc(N2CC[C@H](c3ccccc3)C2=O)cc1,-1.216177225112915
O=C(Nc1ncccc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.8346022963523865
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9914964437484741
CC(C)C(C)(C)C(=O)NCCOc1ccc(Br)cc1,-1.4309955835342407
O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(Br)cc2)CC1,-0.5004624724388123
Cc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1,-0.8715564012527466
Cc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1,-1.0533572435379028
Nc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.8963351845741272
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.9045444130897522
Cc1cccc(C(=O)NCc2ccc3cnn(C)c3c2)c1,-1.0776728391647339
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2)CCN1c1ccccc1,-1.155112385749817
O=C(CCc1ccc(Br)cc1)NCc1ccc(F)cc1Cl,-0.9589108824729919
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3114789724349976
O=C(CCC1CCCCC1)Nc1ccccc1C1CCCCC1,-1.523076057434082
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(N)c1,-1.0040602684020996
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8039267063140869
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.1476972103118896
Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7070177793502808
O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.4890567064285278
O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccccc2)C1,-1.132244348526001
Clc1cc(Br)ncc1Nc1ccc(C[NH+]2CCOCC2)cc1,-0.953192949295044
FC(F)(F)c1ccc(CN2CCC(c3nn[n-]n3)CC2)cc1,-0.8254499435424805
Fc1ccc(N2CCC(NCc3cccc(Br)c3)CC2)cc1,-1.030043125152588
Cc1cnc(NC2CC[NH+](Cc3ccccc3)CC2)nc1C,-1.03196120262146
O=C(NCC1CCOCC1)N1CC[C@H](O)C2(CCCC2)C1,-1.5389800071716309
Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1F,-1.3588048219680786
Cc1cc(Cl)ccc1C(=O)NC[C@H](O)c1ccc(F)cc1,-1.0152573585510254
Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2Cl)c1,-1.0071464776992798
CC1CN(Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.4995510578155518
Nc1ccc(C(=O)NC2(c3ccccc3F)CCCCC2)cc1,-1.1334744691848755
O=C(N1CCCCCC1)N1CCN(Cc2ccc(O)cc2)CC1,-1.4079188108444214
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.025934100151062
CC(C)(O)[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1F,-0.9130661487579346
CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1,-1.6254040002822876
Cc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.5564913749694824
CC(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1,-1.0342249870300293
C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cccc(Cl)c2)CC1,-0.8531122207641602
O=C(NCc1ccc(Cl)c(F)c1)N1CCc2sccc2C1,-0.7431402802467346
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2395954132080078
O=C(CNC(=O)c1ccccc1)c1ccc(Cl)c(F)c1,-1.3126672506332397
O=C(NCc1ccccn1)Nc1ccc(Br)cn1,-1.5514557361602783
Cc1ccc(N2CCN(C(=O)c3ccc4cc(N)ccc4n3)CC2)cc1,-0.5528153777122498
Fc1ccc(CNc2ccc(-c3cccc(Br)c3)cn2)cc1,-1.0220705270767212
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6932865381240845
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464754104614258
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.217279314994812
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2194111347198486
C[C@H]1CN(C(=O)c2ccc(OCC(C)(C)C)cc2)CCS1,-1.4028090238571167
O=C(NCCc1ccc(F)cc1)N1CCC2(CCCC2)C1,-1.520444393157959
Cc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1C,-1.2507765293121338
Fc1cc(CNC2CCCN(c3ccccc3)C2)ccc1Br,-0.9936718940734863
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3961020708084106
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2541515827178955
O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9752758741378784
COC(=O)c1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1,-1.6020907163619995
CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1,-1.4274040460586548
Cc1noc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n1,-1.209248423576355
COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1O,-1.1757054328918457
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9698705673217773
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-0.9378951191902161
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140254735946655
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.080379843711853
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9857097864151001
C[C@H]1C[NH+](C2CCCCC2)CC[C@H]1NC(=O)c1ccc(Cl)cc1,-0.8606091141700745
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.472761869430542
Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(F)c1,-1.0160762071609497
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671297311782837
Cc1ccccc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9672544598579407
CCNC(=O)Nc1cccc(-c2noc(C)n2)c1,-1.6155411005020142
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1,-1.5240401029586792
CC(C)COc1ccc(CNC2CCCCC2)cc1,-1.6395663022994995
CC1(C)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1,-1.0387675762176514
CC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.7306365966796875
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3347151279449463
CN(Cc1cccc(O)c1)C(=O)CCc1cccc(O)c1,-1.5305290222167969
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cn1,-1.0897645950317383
C[C@H]1CCC[C@@H](NC(=O)c2ccccc2N2CCCC[C@H]2C)C1,-1.0887187719345093
COc1ccc(CN2CCC(NC(=O)O)C2)cc1,-1.6412150859832764
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1,-1.0597319602966309
O=C([O-])C1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1,-0.9556372165679932
O=C(N1CCC(OCCCO)CC1)N1CCC2(CCCC2)CC1,-1.4990688562393188
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9793573021888733
CN1CCN(CC(F)(F)F)CC1,-1.7363085746765137
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@@H](C)O1,-1.5054165124893188
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(N)cc1,-1.4038251638412476
Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)nc1,-1.102158784866333
Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1C(N)=O,-1.0563217401504517
CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CCO1,-1.5423983335494995
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0705337524414062
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9422767758369446
O=C(NCC(=O)N1CCc2sccc2C1)c1ccc(O)cc1,-1.0607986450195312
COc1ccc(CC(=O)Nc2cc(F)c(F)cc2F)cc1,-0.9334508180618286
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-1.0732887983322144
Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC=CCC3)C[C@@H]2C)o1,-1.2619531154632568
Fc1ccc(-c2ccccc2NCc2ccc(Br)cc2)cc1,-1.1784214973449707
CC(C)(O)CNC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.315350890159607
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1886248588562012
O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc(F)c(Cl)c1,-0.7911980748176575
C[C@@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(F)cc1,-1.2158063650131226
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9643887877464294
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1,-0.8867748975753784
Nc1ccc(C(=O)Nc2ccccc2O)cc1,-1.6708755493164062
Fc1ccc(-c2noc(SCc3ccc(F)cc3Cl)n2)cc1,-0.6937816739082336
CC(C)[NH+]1CCC[C@H](NC(=O)N2CCC3(CCO3)CC2)C1,-1.420362114906311
Cc1ccc(C(=O)NC(=O)N2CCCC23CCCCC3)cc1,-1.3329846858978271
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9688867330551147
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1,-1.4906810522079468
Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4195106029510498
[NH3+]C1CCC(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)CC1,-1.3551759719848633
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641956567764282
Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cn1,-1.247657299041748
c1ccc(CNc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.0603440999984741
Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.308962106704712
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8260130882263184
Clc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Br)cc3)C2)cc1,-1.1196813583374023
NC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1,-0.9208033680915833
C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)CCN1c1ccccc1,-1.0071276426315308
CN1CCN(Cc2ccccc2)C(Cc2ccc(F)cc2)C1,-1.3567312955856323
O=C(NC[C@H]1CCCCO1)Nc1cccc(I)c1,-1.5260802507400513
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382983922958374
O=C(Nc1ccc(F)cc1Br)N[C@@H]1CCOC12CCCC2,-1.1681017875671387
NCCOc1ccc(NC(=O)c2ccccc2F)cc1,-1.5698509216308594
CCCC(C)[C@@H](C)C(=O)N[C@H]1CC[NH+](CCc2ccccc2)C1,-1.5096937417984009
c1ccc(CN2CCC3(CCN3Cc3ccccc3)C2)cc1,-1.6070730686187744
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2083618640899658
Cc1cc(O)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1277016401290894
Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCCO3)CC2)c(F)c1,-1.0203431844711304
O=C(NC1CCCCC1)N1CCN(C2CCCCC2)C(=O)C1,-1.1950470209121704
Cc1cc(CNC(=O)c2ccc3nc[nH]c3c2)ccc1O,-1.1704351902008057
COc1cc(F)ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1,-1.051803469657898
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2827534675598145
O=C(O)c1ccc(NCC2CCCC3(CCCC3)C2)cc1,-1.543321132659912
C[C@@H](C(=O)NCCc1cccc(I)c1)[NH+]1CCC([NH3+])CC1,-1.1050347089767456
CC(C)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1,-1.5292634963989258
Cc1nc(CNC(=O)Cc2ccccc2)nc2sccc12,-1.0590434074401855
Cc1cccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1,-1.3772506713867188
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1328434944152832
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2230305671691895
Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0533090829849243
Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1143707036972046
O=C(NCc1ccc(F)c(Br)c1)c1ccc2nncn2c1,-0.7628798484802246
O=C(c1ccc(F)cc1)N1CCCC(C(O)=NCc2ccccc2)C1,-1.0808842182159424
CCOc1cc(Cl)c(Br)cc1N,-1.3523595333099365
O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(Cl)cc1,-1.2063331604003906
O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2[nH]1,-1.1007627248764038
CC[NH+]1CCC[C@H](CNC(=O)c2ccc(C)s2)C1,-1.52443528175354
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1,-0.8282523155212402
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1805298328399658
O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.0666252374649048
COc1ccc(C(=O)NCc2ccc(Cl)cc2)o1,-1.5764836072921753
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8294679522514343
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.4629676342010498
Cc1ccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccco2)cc1,-1.542382836341858
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4403119087219238
Cc1ccc(OCC(=O)N2CCC[C@@H](C(O)=NC3CC3)C2)cc1,-1.2205408811569214
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9814083576202393
CCc1cc(C(=O)N2CCC(c3ccc(F)cc3F)CC2)on1,-0.8050979375839233
Cc1nc2ccc(CNC(=O)[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9498107433319092
Cn1nccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2F)CC1,-0.7232241034507751
Cc1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1,-1.2629376649856567
CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.5288283824920654
O=C(Nc1ccccc1F)C1CCN(c2ccc(O)cc2)CC1,-1.0684136152267456
CCOc1ccc(CNC2CC(C)(C)C2)cc1,-1.6913223266601562
CC1CN(C(=O)Nc2ccc(C(=O)O)cc2)CC(C)O1,-1.4913674592971802
COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1,-1.4779516458511353
CS(=O)(=O)c1ccccc1CNCc1ccc(F)cc1,-1.5186030864715576
O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.4651926755905151
Cc1ccc2nc(COC(=O)c3ccc(O)cc3)[nH]c2c1,-1.2750424146652222
CC1(O)CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1,-1.5521529912948608
O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)c(F)c1,-0.9955317378044128
Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cn1,-0.9838207364082336
O=C(NCCN=C(O)Cc1ccccc1)c1ccc(Br)cc1,-1.4345858097076416
Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0479544401168823
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1,-1.259611964225769
Cc1cccc(N2CCN(C(=O)Nc3ncccc3C)CC2)c1,-0.9969891905784607
Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(F)c1,-1.082656979560852
Clc1cccc(OCCNCCc2ccccc2)c1,-1.6366440057754517
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6987197399139404
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3037471771240234
C[C@H]1COCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0796090364456177
CC(C)(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.444286584854126
Clc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1180670261383057
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0476150512695312
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1784578561782837
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.170356273651123
Fc1cc(N2CCC(NCC3CCCCO3)CC2)ccc1Cl,-1.0767017602920532
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389442443847656
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(O)c(Cl)c2)C1,-1.0536293983459473
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.353678584098816
Fc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(Br)cc2)cc1,-1.1262180805206299
C[NH+]1CC[C@@H](NC(=O)c2cc[nH]c2-c2ccc(Cl)cc2)C1,-1.0409568548202515
C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0740978717803955
COC(=O)c1ccc(OCc2ccc(C)o2)cc1,-1.6554077863693237
Cn1cc(NC(=O)[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1704118251800537
CCNC(COc1ccc(N)cc1)c1ccccc1,-1.6194077730178833
Cc1ccc(-c2noc(COc3ccc(C)cc3Cl)n2)cc1,-0.974124550819397
Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)s1,-0.9528632164001465
O=C([C@@H]1CCC[NH2+]CC1)N1CCC(Cc2ccc(Br)cc2)CC1,-1.0851823091506958
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)o1,-1.3435896635055542
CC(C)[C@H]1C[C@@H](NC(=O)Cc2cccc(Br)c2F)CCO1,-0.9479910135269165
Cc1cc(F)ccc1C(=O)N1CCN(c2ccc(Cl)c(F)c2)CC1,-0.40582332015037537
C[C@H]1CCC[NH+](C[C@H](O)CNC(=O)c2ccc(Br)cc2)C1,-1.347800612449646
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.4512284994125366
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(O)cc1,-1.1486891508102417
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.119022250175476
Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1,-1.3163559436798096
Nc1cc(-c2ccccc2)c(OCc2ccccc2)cc1F,-1.188883900642395
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0628210306167603
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.042975902557373
Cn1nnnc1-c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1,-0.5149800777435303
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.1870373487472534
O=C(Cc1ccc(Br)cc1)NC[C@H](O)c1ccc(F)cc1,-1.279638648033142
O=C(NCc1cccc(I)c1)c1ccc2c(c1)CCCN2,-1.1110957860946655
O=C(NC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1,-1.4552924633026123
C[C@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C,-1.016687035560608
O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(-c2ccccc2)n1,-1.1716246604919434
Cc1cc(CNC(=O)c2coc3ccccc23)ccc1F,-1.0770858526229858
CC1(C)CC(NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.5429694652557373
C[NH+]1CCN(C(=O)NC2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.960147500038147
O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(O)cc1F,-1.1301349401474
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46132808923721313
Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.945813000202179
O=C(COc1ccccc1)NCC(O)=Nc1cccc(Cl)c1,-1.5516600608825684
Cc1ccccc1NC(=O)Cc1nc(-c2ccc(Cl)cc2)no1,-0.9647947549819946
O=C(NC1CCCCC1)c1ccc(N2CCN=C(O)C2)cc1,-1.2453688383102417
O=C([O-])N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.911011278629303
O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C1CCC=CCC1,-1.294126272201538
Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2csc(C)n2)cc1,-0.900835394859314
CC[NH+]1CCN(C(=O)CCC(=O)Nc2ccc(I)cc2)CC1,-1.3559563159942627
CC(C)(F)C(=O)N1CC[C@H](NC(=O)c2ccccc2)C1,-1.3431459665298462
Cc1ccc(-c2ccc(C(=O)Nc3ncccc3[NH3+])cc2)cc1,-1.0397617816925049
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9136388301849365
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0665757656097412
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.037223219871521
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)nc1,-1.0312952995300293
C[C@@H]1C[NH+](CC(=O)NCc2cccc(Cl)c2F)C[C@H](C)O1,-0.9860499501228333
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9491824507713318
Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2c2ccccc2)c(C)c1,-1.0386375188827515
CCCc1ccc(NC(=O)N2CCCC3(CCCCC3)C2)cc1,-1.4909464120864868
O=C(Nc1ccc(F)cc1)C(O)=NC1CCN(c2ccccc2)CC1,-1.0858252048492432
Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1F,-1.2898057699203491
Fc1cc(NCc2ccc(Br)cc2)ccc1-c1ccccc1,-1.1010853052139282
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9745632410049438
Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0002230405807495
Fc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(I)cc2)cc1,-1.0885814428329468
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0367295742034912
Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.0669821500778198
CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6197876930236816
COc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1,-1.6147699356079102
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.009830355644226
Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2o1,-1.1996349096298218
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1632659435272217
O=C(Cc1ccccc1Cl)N[C@@H]1CCCN(c2ccccc2)C1,-1.1918827295303345
Cn1ccnc1Nc1ccc(NC(=O)CCCC(=O)[O-])cc1,-1.5421485900878906
Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C)OC[C@@H]3C)CC2)cc1,-0.8624045848846436
C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC2(CCC(=O)N2)CC1,-1.1001142263412476
COc1ccc(OCc2ccc(S(N)(=O)=O)cc2)cc1,-1.6093430519104004
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-0.9911134839057922
Cc1cc(Cl)cc(C(=O)NCc2c[nH]c3ccccc23)c1,-0.9873551726341248
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.2950425148010254
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(O)cc3)CC2)CC1,-1.4872090816497803
C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0898246765136719
O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8790764808654785
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8476715683937073
COc1ccc(C(=O)NCc2noc(C)n2)cc1,-1.514012336730957
C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2440853118896484
NS(=O)(=O)C1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1,-0.9216680526733398
Cc1csc(N2CCC(NC(=O)[C@@H]3CC34CCC4)CC2)n1,-0.9735043048858643
Fc1ccc(COc2ccc(Cl)cc2-c2ccccc2)cc1,-1.164107084274292
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.1045351028442383
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1520144939422607
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C)nc1,-1.4357326030731201
Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2193998098373413
O=C1Nc2ccccc21,-1.960303544998169
O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]cnc2c1,-0.8779932260513306
c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.2870210409164429
Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.2871901988983154
O=C(C1CCN(Cc2ccccc2)CC1)N1CCNCC(O)C1,-1.3415348529815674
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1736786365509033
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6452988386154175
CC(C)CNC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1,-1.1771513223648071
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9242458343505859
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1074411869049072
C[C@@H]1CN(C(=O)NC2CCOCC2)CCN1c1ccc(Cl)cc1,-1.0793102979660034
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5574573278427124
C[C@H]1CCCC[NH+]1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.3250795602798462
Cn1cc(NC(=O)N2CCC[C@@H](c3cnn(C)c3)C2)cn1,-1.0669916868209839
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2s1,-1.1278433799743652
Cn1cc(C[NH+]2CCC(c3ccccc3)CC2)c(C2CC2)n1,-1.062983512878418
Cc1nc(CNC(=O)Cc2ccc(Br)c(F)c2)cs1,-1.0070825815200806
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1048587560653687
O=C(CCNC(=O)c1ccccc1)NC1CCCC1,-1.6549350023269653
CC(C)(O)C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1,-1.4726837873458862
O=C(c1ccccc1F)N1CCC(Oc2cccc(Cl)c2)CC1,-1.0045970678329468
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1568410396575928
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.297062635421753
Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1,-1.3838660717010498
O=C(N[C@H]1CCC[C@H](F)C1)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8952016234397888
O=C(NC1CCCCCC1)N1CCC[C@H](c2ccc(Br)cc2)C1,-1.0574734210968018
C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)C)cc2)CC1,-1.323805809020996
Cc1ccc2[nH]c(-c3ccc(CNCC(C)C)cc3)nc2c1,-0.9475287795066833
CC1(C)CCN(C(=O)CNc2ccc(C(=O)[O-])cc2)C1,-1.4053267240524292
O=C(Nc1c(F)cccc1F)c1ccc(-c2ccccc2)cc1,-0.9741486310958862
Cc1nc2ccc(C[NH+]3CC(Nc4ccccc4)C3)cc2o1,-1.2799800634384155
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.8644989728927612
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0100878477096558
c1ccc(COc2ccc(N3CCCc4ccccc43)cc2)cc1,-1.2125606536865234
O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1c[nH]c2ccccc12,-1.175974726676941
COC1CCN(C(=O)NCc2csc(C)n2)CC1,-1.4798412322998047
O=C1C[C@H](Cc2ccc(F)cc2)CN1Cc1ccccc1,-1.5007474422454834
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4386804103851318
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895866870880127
C[C@H]1CCCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.3325161933898926
[NH3+][C@H]1CCC[C@H](C[NH+]2CCN(Cc3ccc(F)cc3)CC2)C1,-1.2645881175994873
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.9245973825454712
O=C(NC[C@@H](O)Cc1ccc(F)c(Cl)c1)C1CCCCC1,-1.1409534215927124
O=C(Nc1ccc(N2CCOC2=O)cc1)N1CCC[C@@H](F)C1,-1.1940979957580566
O=C(c1ccc(O)cc1)N1CCC([C@@H](O)c2ccccc2)CC1,-1.2406777143478394
CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1,-1.4104564189910889
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)n1,-1.0021330118179321
Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1302034854888916
Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1C,-0.92529296875
Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(N)cc2)C1,-1.0504000186920166
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1707159280776978
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1423070430755615
CC1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.300999641418457
O=C(NCc1cccc(F)c1)N1CCOC2(CCCC2)C1,-1.5493704080581665
Cc1ccccc1OC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.2462387084960938
O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3396193981170654
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2152644395828247
O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1,-1.2199636697769165
Clc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0338857173919678
NC(=O)c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1,-1.4740700721740723
O=S(=O)(CCc1ccccc1)NCc1ccc(Cl)cc1,-1.5750036239624023
CC1(C)CCCC[C@@H]1NC(=O)N1CCN(c2ccccc2)CC1,-1.2000013589859009
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0065803527832031
O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncccc3C2)C1,-0.9256462454795837
Cc1ccc(CN2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.1041918992996216
CC1(C)CN(C(=O)NC[C@@H]2CC3(CCC3)O2)CCO1,-1.6656625270843506
CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1,-0.9420648813247681
CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1,-1.229422688484192
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1130098104476929
Cc1ccc(OCC(=O)N2CCC(c3ccccc3)CC2)cc1,-1.4118330478668213
Fc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.0731147527694702
CC(C)(C)c1ccc(NC(=O)c2ccc(N)cc2F)cc1,-0.9995917677879333
Oc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2967517375946045
C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)c1ccc(O)cc1,-1.3145090341567993
NC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.6732317209243774
C[C@@H]1CN(C(=O)NCc2ccc3[nH]ccc3c2)C[C@H](C)O1,-1.2958625555038452
CCCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1,-1.5435936450958252
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.673264980316162
CC(C)(C)CC(=O)N[C@H]1[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21,-0.8822221755981445
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9642643332481384
Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.1685376167297363
Cc1cccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c1C,-0.9572477340698242
O=C(NCc1ccccc1)N1CCC=C(C2CCCCC2)C1,-1.5174130201339722
Cc1cccc(-c2nc(C(=O)Nc3ccn(C)n3)co2)c1,-1.2749900817871094
Nc1ccc(C(=O)NCC(=O)c2ccc(O)cc2)cc1,-1.4518229961395264
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.2700536251068115
O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)C1CCCCC1,-0.8032098412513733
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.1918845176696777
O=C(COc1ccccc1)N[C@@H]1CCC2(CCCCC2)C1,-1.622342824935913
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1181198358535767
O=C(c1ccc(I)cc1)N1CCN(CCC2CCCCC2)CC1,-0.9883366823196411
O=C(NCc1ccc(Cl)nc1)N1CCC2(CC1)OCCO2,-1.4821372032165527
O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.3841460943222046
C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1825299263000488
O=C(Nc1cc(Br)c(F)cc1F)N1CC[NH+](C2CC2)CC1,-0.6065779328346252
COc1ccc(N2CCN(C(=O)c3ccc(Br)nc3)CC2)cc1,-1.0034838914871216
O=C(CC1CCCC1)N1CCN(C(=O)c2ccccn2)CC1,-1.2828562259674072
O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2283291816711426
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.5157195329666138
CCc1ccc(CNC(=O)c2scnc2C)cc1,-1.5052310228347778
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5246624946594238
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0104334354400635
Cc1ccc(-c2ccc(C(=O)NCC(=O)O)cc2)cc1,-1.5205004215240479
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.3217331171035767
O=C(OCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1,-1.499233603477478
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1398171186447144
Cc1ccc(F)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.101845383644104
CN1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2430590391159058
Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.2398966550827026
Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c[nH+]1,-1.1302947998046875
Cc1cc(O)ccc1NC(=O)c1cccc(N2CCOCC2)c1,-1.203751564025879
Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)o1,-0.92095547914505
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cn1,-0.9826964139938354
c1ccc2c(c1)OCCO2,-1.9524314403533936
Cn1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cn1,-0.776067852973938
O=C(Cc1ccc(O)cc1)NCc1cc2ccccc2s1,-1.3313647508621216
O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCOC2)CC1,-1.2725356817245483
c1ccc(-c2ccc(Nc3nc(-c4ccccc4)ns3)cc2)cc1,-1.042486548423767
COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.57574462890625
CCC(C)(C(=O)O)C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.1518394947052002
O=C(c1cccc(Br)c1)N1CCN(C(=O)c2ccco2)CC1,-1.0984902381896973
CCCCCCCCCCCCCCNC(=O)C1CCN(C(C)=O)CC1,-1.5183465480804443
CC(C)(C)c1ccc(CC(=O)Nc2ccccc2Cl)cc1,-1.1810325384140015
COc1ccc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1,-1.295225739479065
Cc1cc(F)ccc1NC(=O)N1CCN(C2CCCCC2)CC1,-0.942690908908844
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2066004276275635
CC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCO)CC1,-1.5342577695846558
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4824414253234863
CCCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1,-1.6343649625778198
Oc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.5122734308242798
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0005722045898438
O=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ncc2c1,-0.8299616575241089
Cc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1,-1.136220097541809
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1F,-1.0272539854049683
c1coc(C[NH+]2CCN(c3ccc(N4CCCCC4)cc3)CC2)c1,-1.3685575723648071
O=C(CNC(=O)c1ccccc1)Nc1ccccc1,-1.67099130153656
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5764552354812622
O=C1CCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1,-1.207054615020752
O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1c[nH]c2ccccc12,-1.0215630531311035
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0561190843582153
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.992104172706604
Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)s1,-1.1563608646392822
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2913604974746704
Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cc1,-1.0737090110778809
C[C@H]1CCCC[NH+]1CCO,-1.9419151544570923
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9553984999656677
C[C@@H]1CCN(c2ccc(Cl)cc2Cl)[C@H]1OCc1ccccc1,-1.000579595565796
Nc1cc(-c2ccc(Cl)cc2)ccc1OCC1CCCCC1,-1.1285167932510376
Cc1cc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)c2ccccc2n1,-0.5243072509765625
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3628548383712769
C[NH+]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1033146381378174
c1ccc(C[NH+]2CCN(c3snnc3-c3ccccc3)CC2)cc1,-1.0603344440460205
CCCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1,-1.5250519514083862
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7685925364494324
COc1ccc(CN2CCN(c3cccc(C#N)c3)CC2)cc1,-1.4661210775375366
O=C(NCC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1,-0.8961420655250549
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1299911737442017
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.176906943321228
O=C(NCc1cccc(O)c1)c1ccc2c(c1)OCCO2,-1.3849859237670898
Cc1nc2cc(CNC(=O)c3ccccc3)ccc2n1C,-0.9834772348403931
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(O)c1,-1.1537208557128906
Cc1ccc(-c2nc(C[NH+]3CCOC4(CCOCC4)C3)no2)cc1C,-1.0997172594070435
Cc1ccc([C@@H](O)CNC(=O)c2ccc(F)cc2O)cc1,-1.3274670839309692
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1CC1CCOCC1,-1.4902180433273315
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0621039867401123
Cc1ccccc1C1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1,-1.0229175090789795
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ccc(F)cc2)CC1,-0.8625887036323547
O=C(COc1ccccc1)Nc1ccc2c(c1)CCCC2,-1.5339816808700562
Cc1nc(CNC(=O)Cc2ccc(Br)c(C)c2)cs1,-0.950073778629303
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1187093257904053
O=C(c1cc2ccccc2s1)N1CCC[C@@H]1C[NH+]1CCOCC1,-1.0663338899612427
Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cn1,-1.5586276054382324
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1130130290985107
O=C(C1CCN(c2cccc(F)c2)CC1)N1CC[C@@H]2CCC(=O)N2C1,-0.5934884548187256
Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(Cl)cc2)cc1,-1.1146503686904907
Cn1cc2c(n1)CN(C(=O)NCc1cccc(O)c1)CC2,-1.0750718116760254
O=C(N[C@H]1CCC[C@@H](F)C1)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8926026821136475
CCc1ccc(C(=O)NCC(=O)N2CCCC2)cc1,-1.5909065008163452
Cc1cccc(N2CCC(NC(=O)c3ccccc3O)CC2)c1,-1.1430860757827759
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5764150619506836
O=C(Cc1cc2ccccc2s1)NCc1ccc(Br)cc1,-1.1343570947647095
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2805964946746826
Cc1cc(CNC(=O)c2cc3ccccc3s2)ccc1F,-0.9582938551902771
O=C(Cc1cc(F)c(F)c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1,-0.4233066439628601
CN1CCN(C(=O)CCC(=O)N(C)Cc2ccccc2)CC1,-1.5013678073883057
O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1=O)C1CCCCC1,-1.2712980508804321
O=C(NCc1ccccc1)Nc1ccc([O-])cc1,-1.6870982646942139
O=C(Nc1ncccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.7524914145469666
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(O)c1,-1.1427119970321655
Cc1ccc(C(=O)N2CCN(Cc3csc(C)c3)CC2)o1,-1.2457655668258667
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0157990455627441
CC1CC(C)CN(C(=O)C(=O)NCc2ccccc2)C1,-1.4728248119354248
O=C(COc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,-1.3717695474624634
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.220399260520935
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8737515211105347
O=C(Nc1ncccc1F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8385905623435974
O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccc(Br)cc2)CC1,-0.8029057383537292
O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0174148082733154
C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.459939956665039
NC(=O)c1ccc(C(=O)Nc2ccc(O)c(F)c2)cc1,-1.178846001625061
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1193705797195435
Cc1cccc(CCNC(=O)c2cc(C)c(C)cc2Br)c1,-0.8920731544494629
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.9864201545715332
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0357221364974976
CCOc1ccc(C(=O)Nc2ccn(C)n2)cc1,-1.6101995706558228
CC1(C)CN(C(=O)NCc2ccc3[nH]ncc3c2)CCO1,-1.4078316688537598
COc1ccc([C@H]2C[C@@H](O)CN2Cc2cccc(N)c2)cc1,-1.2826286554336548
Cc1cccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c1,-1.1103695631027222
COc1ccc(C(=O)N2CC[C@H]([NH+]3CCC[C@H](C)CC3)C2)cc1,-1.171386957168579
Cc1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3236902952194214
Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1354084014892578
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258821725845337
CC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1,-1.4263482093811035
Oc1ccc(C[NH2+][C@H]2CCCO[C@H]2c2ccccc2)cc1Br,-1.2133095264434814
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1492514610290527
COc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1,-1.4562122821807861
O=C(Cc1ccc(O)cc1)NC[C@H](O)c1ccc(Br)cc1,-1.3964698314666748
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1206907033920288
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0268875360488892
C[NH+]1CC[C@@H](NC(=O)c2csnc2-c2ccc(Cl)cc2)C1,-0.852782666683197
O=C(CN1CCCCC1=O)N[C@@H]1CCC[C@H]1c1ccccc1,-1.508782148361206
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8349694013595581
O=C(Nc1ccc(N2CCCC2)cc1)N1CCn2nccc2C1,-1.0183173418045044
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.0666236877441406
C[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cc(Cl)co2)C1,-1.0158110857009888
CCNCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,-1.5339058637619019
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517594337463379
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.218756914138794
Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1893068552017212
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0857295989990234
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl,-0.9009999632835388
CC(C)C(C)(C)NC(=O)c1ccc(N2CCNCC2)cc1,-1.1752558946609497
O=C(Nc1ccc(F)cc1Br)N1CCC[C@H](c2ccccc2)C1,-0.885824978351593
CCc1ccc(C(=O)NCc2c[nH]nc2C)cc1,-1.4367833137512207
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9645907282829285
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)cc1)[C@@H]1CC[C@@H](F)C1,-1.0839301347732544
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2035166025161743
O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0342893600463867
COc1ccc(NC(=O)N[C@@H]2CC[C@@H]([NH3+])C2)cc1,-1.6235692501068115
O=C1Cc2cc(CNC(=O)c3ccccc3)ccc2N1,-1.4489500522613525
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2047761678695679
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5061061382293701
O=C(Nc1ccc(F)cc1)c1ccccc1,-1.699520230293274
O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2[nH]1,-0.9088507890701294
O=C(N[C@@H]1CCC[C@H]1c1ccc(Br)cc1)[C@@H]1CC[C@H](F)C1,-0.8736534714698792
O=C(NCCCF)c1ccc(C[NH+]2CCOCC2)cc1,-1.6015212535858154
CC1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2)C1,-1.1686512231826782
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1531014442443848
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0525615215301514
CC(C)CNC(=O)Nc1ccc(C(=O)O)cc1,-1.6534271240234375
O=C(NCc1ccc(Cl)cc1)N1CCC[C@]2(CCOC2)C1,-1.497719168663025
O=C1Cc2cc(C(=O)NCC3CC[NH2+]CC3)ccc2N1,-1.3271660804748535
O=C(Cc1ccccc1Br)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.2923550605773926
Cc1cccc(C(=O)NCC2Cc3ccc(Br)cc3C2)c1,-0.9698328375816345
CC1(C)CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C1,-1.5233311653137207
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885562419891357
O=C(c1ccc(CCl)cc1)N1CCC(c2ccc(F)cc2)CC1,-0.9147249460220337
CC(C)(CNC(=O)c1ccc(Br)nc1)c1ccc(F)cc1,-0.9781163930892944
O=C([C@H]1CCOc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.818452775478363
O=C(c1ccco1)N1CC[C@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1,-1.2456297874450684
O=C(Nc1nc2ccccc2s1)c1cccc(-n2cncn2)c1,-0.8485318422317505
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.88856440782547
Nc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.087841510772705
Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)no1,-1.3040440082550049
CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3139581680297852
O=C(Nc1ccc(Cl)cc1O)N1CCC(c2ccccc2)CC1,-1.0015132427215576
O=C(NC[C@H](O)Cc1ccc(Br)cc1)N1CCC(F)CC1,-1.3587249517440796
CCN(C(=O)Cc1ccc2c(c1)CCN2)c1ccccc1,-1.2799321413040161
N#Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1,-1.4825462102890015
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3412761688232422
O=C(Nc1ccc(-c2ccccc2)nc1)c1ccc(F)cc1F,-0.9415045976638794
N[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1913676261901855
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2783340215682983
NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1095150709152222
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9709720611572266
COC(=O)c1ccc(NS(=O)(=O)C2CCC(C)CC2)cc1,-1.4620587825775146
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.264685869216919
Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)s1,-0.7467203736305237
O=S(=O)(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(Br)cc1,-0.7061294913291931
[NH3+][C@H](CC(=O)NCc1cccc(Br)c1)Cc1ccccc1,-1.4729628562927246
C[NH+]1CCC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1,-1.1369096040725708
O=C(C[NH+]1CC[C@@H]2CCC[C@H]2C1)NCc1ccc(F)cc1,-1.2850264310836792
c1ccc(-c2noc(-c3ccc(CN4CCCCC4)cc3)n2)cc1,-1.2146003246307373
CN1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.2097525596618652
C[NH+]1CCC(NC(=O)c2ccccc2-c2ccc(Cl)cc2)CC1,-0.970155656337738
Cc1ccc(N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1,-1.112714171409607
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.2489937543869019
O=C(Cc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1,-1.2690200805664062
O=C(Nc1ccccc1Br)[C@H]1CCC(=O)N1c1ccccc1,-1.05400812625885
Cc1cc(C(=O)N2CCN(c3ccc(F)c(C)c3)CC2)ccc1F,-0.5413684844970703
O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2078098058700562
Brc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.0601314306259155
O=C(CC[NH+]1CCCC2(CCCCC2)C1)NCc1ccccn1,-1.527513027191162
CC(C)(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.4942055940628052
O=C(NC[C@@H]1CCCO1)Nc1ccc(I)cc1Br,-1.2916167974472046
O=C1CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1,-1.4588204622268677
O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1ccc(Cl)cn1,-0.9853934049606323
CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.1243982315063477
CC(C)NC(=O)c1ccc(CC(O)=NC2CCCCC2)cc1,-1.350485920906067
O=C(Nc1ccccc1Cl)[C@H]1CCC(=O)N1c1ccccc1,-1.0773530006408691
C[C@H]1CCCC[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.416408658027649
Cc1ccc(CNC(=O)[C@@H](C(C)C)C2CCOCC2)cc1,-1.4251235723495483
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0870054960250854
COc1ccc(C(=O)N2CCC(c3ccccc3)C(C)C2)cc1,-1.1049953699111938
O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(Cl)cc2)CC1,-0.3271755278110504
Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1154329776763916
O=C(NC1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)cc1,-1.1267271041870117
CC1C[NH+](Cc2ccc(Cc3ccccc3)cc2)CC(C)O1,-1.5188881158828735
c1ccc(Cc2noc(C[NH+]3CC4(CCOCC4)C3)n2)cc1,-1.5429574251174927
Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3376482725143433
CC(=O)c1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1,-1.186255931854248
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.387668490409851
O=C(NC1CN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1,-0.9440653324127197
c1ccc(OCc2noc(-c3ccc4c(c3)OCO4)n2)cc1,-1.3342869281768799
C[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCOC3(CCCC3)C2)C1,-1.5877790451049805
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(Cl)c2)on1,-1.025869369506836
O=C(c1ccc(F)cc1Br)N1CC[NH+](CC2CCCCC2)CC1,-0.8892744183540344
Cc1nc(CN2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)no1,-0.7636392712593079
c1ccc(OCc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.1111804246902466
Cc1ccc(OCc2ccc(-c3ccccc3)c(O)c2)cc1,-1.4191184043884277
Cc1nc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(-c2ccc(F)cc2)n1,-0.5295184254646301
Cc1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1737569570541382
Cc1ccc(C)c(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c1,-1.0963480472564697
Nc1cccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1,-1.247657299041748
O=C(N[C@@H](c1ccc(Br)cc1)C(F)(F)F)c1ccccc1,-1.1366528272628784
Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1C,-1.2756046056747437
Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCCC[C@H]2O)cc1,-1.2100383043289185
FC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.4260756969451904
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1,-1.1492494344711304
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1413006782531738
O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Cl)cn1,-0.9205285310745239
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653544425964355
CC(C)C(NC(=O)c1ccc(Br)cc1)c1ccc(O)cc1,-1.032240390777588
CC[NH+]1CCC(N2CCN(C(=O)c3cccc(C)c3)CC2)CC1,-1.0779210329055786
CC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4781283140182495
O=C(COc1ccccc1)N1CCCC[C@H]1c1ccc(Cl)cc1,-1.243709921836853
O=C(N[C@H]1CC12CCCCC2)N1CCN(c2ccccc2)CC1,-1.4711408615112305
O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1ccc([O-])cc1,-1.5650980472564697
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023361682891846
NC(=O)[C@H]1CCN(c2ccccc2)C1=O,-1.7110564708709717
CC(C)n1ccc(C(=O)N[C@@H]2CCC3(CC[NH2+]CC3)C2)n1,-1.362984299659729
CC[C@@H]1CCCCN1C(=O)NCc1nnc(C)s1,-1.0309079885482788
C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6461886167526245
CC1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9582661390304565
CC(C)Cc1ccc(CNCC2CCCOC2)cc1,-1.639237642288208
Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1,-1.212689757347107
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)s1,-1.0235543251037598
c1ccc(CN2CCN3CCN(Cc4ccccc4)CC3C2)cc1,-1.3964821100234985
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1393227577209473
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1,-1.224081039428711
c1ccc(C[NH+]2CCN(c3nnc(-c4ccccc4)s3)CC2)cc1,-1.0592632293701172
O=C(c1cccc(O)c1)N1CCCN(Cc2ccccc2)CC1,-1.4634513854980469
CC1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1,-1.165740728378296
CO[C@@H](C)C(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)CC1,-0.9746251106262207
C=CC(=O)N1CCN(c2ccccc2)CC1,-1.691580891609192
Cc1cc(Cl)ccc1CNC(=O)c1ccc2c(c1)CCN2,-0.9529117941856384
CSc1ccc(C(=O)NCc2cnc(C)s2)cc1,-1.2455998659133911
Nc1ccc(NC(=O)CCN2CCN(c3cccs3)CC2)cc1,-1.286608338356018
Nc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.301274061203003
O=C(NCCOc1ccccc1)[C@@H]1CC[C@@H](F)C1,-1.6988022327423096
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3308817148208618
O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(F)cc1,-1.0389357805252075
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.943889856338501
Cc1ccc(NC(=O)NCC2CCCCC2)nc1,-1.6291399002075195
C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1,-1.069893479347229
O=C(c1ccc(F)cc1Cl)N1CCC(Nc2ccccc2)CC1,-0.8983432054519653
O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1,-1.6211017370224
O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1,-0.9988767504692078
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(O)c1,-1.142471432685852
CCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1,-1.3080930709838867
O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1,-1.550479531288147
CN1CC[NH+](C)[C@H](NC(=O)C2CCN(c3ccccc3)CC2)C1,-1.083140254020691
O=C(Nc1ccc2nc(-c3ccccc3)sc2c1)c1ccco1,-1.007338285446167
CC1(C)CN(C(=O)CCCOc2ccc(F)cc2)CCO1,-1.5726102590560913
O=C1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H](c3ccccc3)C2)N1,-1.270077109336853
Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9713035225868225
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.3430166244506836
C[NH+]1CCC(CC(=O)NCc2ccccc2)CC1,-1.7140322923660278
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.0019233226776123
C[C@H]1CN(CCCO)CC[NH+]1Cc1ccc(-c2ccccc2)cc1,-1.3571699857711792
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0099726915359497
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c[nH]1,-1.1364855766296387
Cc1cc(Br)ccc1NC(=O)CCOc1ccccc1Br,-1.0871204137802124
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020390510559082
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1847070455551147
COc1ccc(NCc2cccc(S(N)(=O)=O)c2)cc1,-1.5513635873794556
CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.5137770175933838
C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](Cc2cccc(Br)c2)O1,-1.4000828266143799
Cc1csc(C(=O)N[C@@H]2CCO[C@@H]2c2cccc(F)c2)c1,-1.1430168151855469
Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.396174430847168
O=C(Nc1nc2ccccc2s1)c1csc(-c2ccccc2)n1,-0.7892343997955322
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5311139822006226
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8608341813087463
Nc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-0.930790901184082
Cc1nc(-c2ccccc2)ccc1NC(=O)c1ccc(Br)cc1,-0.8554145097732544
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700043439865112
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0977797508239746
O=C1CCN(Cc2ccccc2Br)CCN1Cc1ccccc1,-1.198675274848938
Cc1csc(N2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)n1,-0.9643111824989319
O=C(Nc1cccc(Cl)n1)c1ccc(N2CCCC2=O)cc1,-0.9581394195556641
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2818028926849365
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0486372709274292
O=C(NCCCN=C(O)Cc1ccccc1)c1ccccc1,-1.5915406942367554
Cc1csc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.005323886871338
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ncoc1-c1ccccc1,-1.0491211414337158
Cc1ccccc1CNC(=O)N1CCOCC2(CCOCC2)C1,-1.5170495510101318
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003936767578125
Cc1cc(O)ccc1CC(=O)NCCc1ccc(O)cc1,-1.5516128540039062
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2204312086105347
COc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-1.1591129302978516
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6113661527633667
OC1(C[NH2+]Cc2ccc(Br)cc2)CCC2(CCOC2)C1,-1.5393191576004028
COC1(CNC(=O)c2ccc(Br)s2)CCOCC1,-1.5418859720230103
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1382410526275635
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254799246788025
COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0556602478027344
COc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](C)C2)c1,-1.0965285301208496
NC(=O)CCCC(=O)Nc1ccc(Sc2ccccc2)cc1,-1.5042147636413574
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(F)cc1,-1.5653729438781738
C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1,-1.2743757963180542
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.018548607826233
O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9645149111747742
Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0905580520629883
Cc1ccc(N2CCN(C(=O)Cc3ccc(O)cc3)C[C@H]2C)cc1,-0.994142472743988
Cc1ccc(NC(=O)c2ccc(N3CCCC[C@@H]3C)cc2)cn1,-1.020691990852356
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.092604160308838
CC(C)(O)C[NH+]1CCC(NC(=O)c2cccc(I)c2)CC1,-1.3590868711471558
O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6253429651260376
COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1,-1.126895546913147
O=C(Nc1cc(Cl)ccc1Br)c1ccc(-c2ccccc2)cc1,-0.8776080012321472
O=C(NC1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1,-1.1818681955337524
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2497183084487915
Oc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Br,-1.1974482536315918
O=C(Nc1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1,-0.9084854125976562
CC(C)(C)C(=O)Nc1ccccc1OCCCC(N)=O,-1.5607110261917114
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0153828859329224
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,-1.0514798164367676
Cc1cnccc1NC(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.8578755259513855
Cc1cccc(CNC(=O)N2C[C@H]3CC[NH+](C)C[C@@H]3C2)c1,-1.1711457967758179
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1359961032867432
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9978258609771729
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)o1,-1.187527060508728
O=C(NCc1ccc(Br)cn1)c1ccc2c(c1)CCCN2,-0.9023553133010864
NC(=O)c1ccc(NC(=O)CCCCc2ccccc2)cc1,-1.5459680557250977
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5761899948120117
Nc1ccc(NC(=O)CNc2nc3ccccc3s2)cc1,-1.1028064489364624
CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)cc1,-1.6197741031646729
C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8990004658699036
CC1(C)CN(C(=O)NCCc2ccc(Br)cc2)CCCO1,-1.46596360206604
CC(C)C(=O)N1CCC(C(=O)NCCC(C)(C)C)CC1,-1.2044901847839355
O=C(CNC1CCCCC1)NC[C@H]1CCCOC1,-1.7008861303329468
Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1616111993789673
C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0432169437408447
Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1231052875518799
Cc1ccc(C[NH+]2CCN(C(=O)CC3CCOCC3)CC2)cc1,-1.458757758140564
O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.08875572681427
Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.16519296169281
Cc1ccc(-c2cc(NCc3ccccc3)nc(C)n2)cc1,-1.0536341667175293
Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](C)C2)ccc1O,-0.6747809052467346
Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3484227657318115
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.937201201915741
O=C(N[C@@H]1CCC[NH+](C2CCOCC2)C1)c1ccc(F)cc1O,-1.0896168947219849
Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.0971966981887817
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.0596485137939453
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2662357091903687
CC(c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1796029806137085
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0324865579605103
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9879329800605774
Cn1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21,-1.0209050178527832
O=C(Nc1ccc(Cl)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.0410836935043335
O=C(c1ccccc1O)N1CC[NH+](Cc2cccc(O)c2)CC1,-1.2433866262435913
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.164025068283081
C=C(OCc1ccccc1)C(=O)Nc1ccc(Br)cc1,-1.5006669759750366
CCC(C)(C)C(=O)NCCNc1ccc(Br)c(Br)c1,-1.0191514492034912
Cc1cc(CC(=O)Nc2nc(-c3ccccc3)cs2)no1,-1.258074164390564
O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.049322247505188
Cc1ccc(C)c(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1,-1.0556658506393433
O=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(F)cc1,-1.4194891452789307
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0435950756072998
O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCOCC1,-0.8269168138504028
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(I)cc1,-0.8982649445533752
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1,-0.8095537424087524
O=C(c1ccccc1O)N1CCC(Cc2ccc(Br)cc2)CC1,-1.007482647895813
C[NH+]1CCC[C@H](CC(=O)NCc2nc3ccccc3[nH]2)C1,-1.2101653814315796
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4655518531799316
O=C1C[C@H](NC(=O)N2CCCC[C@H]2c2ccccc2)CCN1,-1.2802538871765137
Cc1cc(NC(=O)c2ccc(C(C)C)cc2)c(C)cc1F,-0.8239244818687439
O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1,-1.7350776195526123
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0294992923736572
Cc1cc(-c2ccccc2)ccc1OCc1ccc(I)cc1,-1.1703780889511108
Cn1ncc2ccc(CNC(=O)c3ccc(F)cc3)cc21,-1.0047624111175537
O=C(NCc1ccccc1)N1CC[C@H](O)C2(CCCC2)C1,-1.5485697984695435
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1,-0.9525275230407715
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.0058701038360596
O=C(NCc1ccc(O)cc1)N1CCC2(CCCO2)CC1,-1.5704549551010132
O=C(c1ccccc1Br)N1CCC(Nc2cccc(F)c2)CC1,-0.8875731825828552
Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3155733346939087
CC1CCN(C2CCN(C(=O)C(=O)c3ccc(F)cc3)CC2)C1=O,-0.6784946918487549
O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2ccccc2F)C1,-0.9103118181228638
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc1,-1.3267031908035278
Cc1ccc(-n2cc(NC(=O)c3ccoc3C)cn2)cc1,-1.3817123174667358
O=C(O)C1CCCCN1C(=O)COc1ccc(F)cc1,-1.467460036277771
Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.8432753086090088
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.10233473777771
Cc1nc2ccc(NC(=O)Nc3ccc(O)cc3)cc2[nH]1,-1.1211265325546265
Cc1ccc(C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)s1,-1.2900290489196777
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734148025512695
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)ns2)cc1,-1.027458667755127
CCOC(=O)C1CCN(Cc2ccc(O)cc2)C1,-1.6450331211090088
O=C(Cc1ccccc1)Nc1ccc(-c2cccc(O)c2)cc1,-1.4798696041107178
CC(C)(CC(=O)O)c1ccc(OCc2ccccc2)cc1,-1.5792832374572754
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ncccc1O,-0.9770914912223816
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2037582397460938
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0143500566482544
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)nc1,-0.8764482736587524
O=C(c1ccc2nc[nH]c2c1)N1CC[C@@H](C[NH+]2CCCCC2)C1,-1.131428837776184
COc1ccc(COc2cccc(S(C)(=O)=O)c2)cc1,-1.5748814344406128
CCCC(=O)NCc1ccc(N2CC[C@H](C)C2=O)cc1,-1.3741779327392578
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.083535075187683
COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.4580765962600708
c1nc(C[NH+]2CCC([NH+]3CCOCC3)CC2)n(C2CCCCC2)n1,-1.0837395191192627
Cc1nc2cc(CNC(=O)c3ccc(Br)cc3)ccc2s1,-0.7654067873954773
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3862212896347046
O=C(NC1CC[S+]([O-])CC1)N1CCC[C@@H](c2ccccc2)C1,-1.298365831375122
O=C(CCc1ccc(F)cc1)NCc1ccc(Cl)cc1Cl,-0.9846810698509216
Nc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1,-1.191511869430542
Cc1cc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)sn1,-0.9106304049491882
Fc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1928988695144653
NCc1ccccc1,-2.069972515106201
COc1ccc(C(=O)NCc2ncc(N)s2)cc1,-1.3131197690963745
COC1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)cc3)C2)CC1,-0.9606953263282776
C[C@H](C(=O)N[C@H]1CCCC[C@H]1c1ccccc1)c1ccccc1,-1.2743695974349976
O=C(NCC1CCCCC1)Nc1ccc(Br)cn1,-1.5433833599090576
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.241962194442749
CCOc1ccc(NC(=O)N2CC[C@H](C)C2)cc1,-1.6301848888397217
Cc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-1.0263994932174683
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0601356029510498
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.425532579421997
COc1ccc(CN2CCn3nc(-c4ccccc4)nc3C2)cc1,-0.9312825798988342
Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1,-1.1051005125045776
C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Br)cc2)C[C@H](C)O1,-1.3619368076324463
O=C(Nc1ccccc1)C1CCN(c2ccc(Cl)cc2Cl)CC1,-0.9486290812492371
Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1,-1.4785373210906982
Nc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1,-1.2031667232513428
Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3s2)cc1,-0.8394006490707397
C[C@@H]1C[NH+](CC2CCCCC2)[C@@H](Cc2ccc(Br)cc2)CO1,-1.2900104522705078
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943751335144043
Cc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1,-1.0953174829483032
Cn1cc([C@H]2CCC[C@@H](NC(=O)[C@H]3CC34CCC4)C2)cn1,-1.0901401042938232
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.893252432346344
Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)no1,-0.8539555668830872
Nc1ccc(F)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.0546021461486816
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0165029764175415
Cc1cc(NC(=O)C2CCN2C2CCOCC2)ccc1Cl,-1.0339901447296143
C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1,-1.0775766372680664
Cc1cc(F)ccc1C(=O)NC1CCC(c2ccccc2)CC1,-1.112075924873352
CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(O)nc1,-1.5679527521133423
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6406668424606323
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4901788234710693
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8951318264007568
Cc1ccc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(F)cc2)cc1,-0.6687459945678711
Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.3036941289901733
C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.0664801597595215
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCCCO1,-0.8139365315437317
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1,-1.0296424627304077
O=C(c1ccc(F)cc1)N1CCN(CC[NH+]2CCCCC2)CC1,-1.1870437860488892
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccncc2F)CC1,-0.9233143925666809
c1ccc(COc2ccc3ccc(-c4ccccc4)cc3c2)cc1,-1.3096773624420166
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2125256061553955
Cc1ccc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2c1,-0.4597066044807434
CC(C)(C)CC(=O)N1CCC(OCc2ccccc2)CC1,-1.5632288455963135
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.298938512802124
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)CC2)cc1,-1.328080177307129
CCCN=C(O)CCN1CCN(C(=O)c2ccc(CC)cc2)CC1,-1.4120471477508545
C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5575904846191406
CCC(C)(C)NC(=O)c1ccc(N2CCN(C)CC2)cc1,-1.2709583044052124
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.105918526649475
O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9571810364723206
O=C(Cc1ccc(Br)cc1)N[C@H]1CCC[C@H]1[NH+]1CCCC1,-1.2160478830337524
CCOc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1,-1.6078617572784424
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1I,-0.8526290655136108
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1948374509811401
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.9005820155143738
Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2o1,-1.1927493810653687
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0230802297592163
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9517993927001953
C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC2(CCCC2)C1,-1.5571407079696655
Cn1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)no2)c1,-1.0353270769119263
Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(F)c1,-1.007336139678955
CC(C)(C)[C@@H](F)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.193253993988037
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cnn(C)c2)c1,-1.165425419807434
Fc1cccc(CNc2ccc(-c3ccccc3)c(Cl)c2)c1,-1.1228376626968384
CC(C)CNCc1ccc(Sc2ccccc2)cc1,-1.5909757614135742
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.200575828552246
Cc1cc(F)ccc1NCc1csc(-c2cccc(F)c2)n1,-0.7690179944038391
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0387823581695557
O=C(NCc1cccc(O)c1)c1ccc2c(c1)CCCC2,-1.275017261505127
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9390548467636108
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)N1CCCC[C@@H](F)C1,-1.1547760963439941
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5087852478027344
O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1,-1.5632411241531372
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2989000082015991
CC(C)COc1ccc(CSc2ccccc2)cc1,-1.622872233390808
Cc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.345123291015625
O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCC[C@@H](O)C1,-1.2266243696212769
CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2)CC1,-1.140886664390564
Cc1ncc(C(=O)N2CCC[C@@H]2C[NH+]2CCC(C)CC2)s1,-0.979485034942627
c1ccc(N2CCN(C3CC[NH+](Cc4ccco4)CC3)CC2)cc1,-1.397558569908142
O=C(c1ccc(O)c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.5565009713172913
COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1,-1.1556719541549683
Cc1ccc(N(C)C(=O)NC[C@@H]2CCOC2)cc1,-1.6204032897949219
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.006637454032898
Cc1ccccc1O[C@]1(C)CC[NH+](Cc2ccc(F)cc2)C1,-1.5335404872894287
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.434045672416687
Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.290122628211975
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0245592594146729
CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1,-1.360005497932434
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnnn2C)cc1,-0.5837599635124207
Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cc1,-1.1170843839645386
O=C(NCC1CCCCC1)[C@@H]1CCC[NH+](C2=CCCCC2)C1,-1.465362310409546
COc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1,-1.5063034296035767
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.057471513748169
C[C@@H]1CSCC[NH+]1CCNC(=O)NC1CCCCCC1,-1.5280845165252686
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9614404439926147
COc1ccc([C@H](O)CNC(=O)c2ccccc2)cc1,-1.58723783493042
[NH3+][C@H](CC(=O)NCC1CCCCC1)Cc1ccc(F)cc1,-1.5570988655090332
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.02861487865448
O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.4891009330749512
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1761360168457031
Cc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCc2ccccc2C1,-0.6930586695671082
O=C(NC1CCCC1)N1CC[C@](O)(c2ccc(Cl)cc2)C1,-1.5139484405517578
O=C(NC1CCCC1)C(=O)N1CCC(c2ccccc2)CC1,-1.3681995868682861
O=C(NC1CC[NH+](CCF)CC1)c1ccc2c(c1)CCO2,-1.3751121759414673
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565129518508911
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565176010131836
CCc1ccc(C(=O)N2CCO[C@H](c3ccc(C)cc3)C2)cc1,-1.2123360633850098
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9181626439094543
O=CN1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1,-1.3614890575408936
O=C1CCCCN1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.1972826719284058
CC(C)c1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)no1,-1.038950800895691
C[C@@H]1CCCC[C@H]1C(=O)Nc1c(C(=O)[O-])oc2ccccc12,-0.9027887582778931
COc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1,-1.1605194807052612
Nc1ccc(C(=O)NCC(=O)c2cccc(Cl)c2)cc1,-1.2510677576065063
O=C(CC[NH+]1CCC(c2ccccc2)CC1)NC1CCCCC1,-1.4938350915908813
Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(N)c2)CC1,-1.1093549728393555
CC(C)(CC(=O)NCc1ccc(F)cc1)c1ccccc1,-1.5295532941818237
O=C(NCCCc1ccc(Cl)cc1)N1CCC(C2CC2)C1,-1.3048728704452515
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.057673454284668
O=C([O-])[C@H]1CCCN(C(=O)c2ccoc2-c2ccccc2)C1,-1.339979887008667
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3020859956741333
O=C(Nc1ccc(F)cc1F)c1cccc(-c2ccccc2)c1,-1.034607172012329
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3946928977966309
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1563301086425781
Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.976317286491394
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Br)cc2)CC1,-0.815990686416626
O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.63169264793396
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1Cl,-0.9313275218009949
Cc1nc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cs1,-0.8504016995429993
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.9746974110603333
Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.2177602052688599
Cc1ccccc1NC(=O)c1cn(-c2ccc(F)cc2)nc1C,-0.7628695964813232
COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,-0.9707029461860657
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1,-1.1424095630645752
c1ccc(Cc2ccc3c(c2)CC[NH+](Cc2ccccc2)C3)cc1,-1.3151859045028687
Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)cc1,-1.0365160703659058
Cc1cccc(COc2ccc(N3CCN(C)CC3)cc2)c1,-1.4391882419586182
O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8055517077445984
Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)n1,-1.0423427820205688
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.1521939039230347
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1O,-1.423767328262329
Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2716313600540161
O=C(CCc1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)C1,-1.522960901260376
Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.388857126235962
Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9833092093467712
CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3431675434112549
Cc1ccc(C(=O)Nc2ccc(-c3nccn3C)cc2)c(F)c1,-0.8511038422584534
O=C(Nc1cc(F)ccc1F)N1CCC[C@H](c2ccccc2)C1,-0.9728055000305176
Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5267988443374634
O=C(Cc1ccc[nH]1)Nc1nnc(-c2ccc(F)cc2)s1,-1.0476950407028198
O=C(NCC1CCOCC1)N[C@@H]1CCC[C@@H](O)C1,-1.6676439046859741
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-0.9737939238548279
Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)s1,-0.9392423033714294
C[C@H](C(=O)NCc1nc2c(o1)CCCC2)c1ccccc1,-1.3544269800186157
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3126184940338135
Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cc1,-1.0643274784088135
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1393401622772217
OC1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1O,-1.5246080160140991
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1884723901748657
Cc1ccc(N2CCC[C@@H]2NC(=O)[C@@H]2CCC2(C)C)nc1,-0.9808756709098816
O=C(Nc1cccc(Cl)c1)c1ccccc1Cl,-1.342673420906067
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.529233694076538
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0458256006240845
Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1,-0.9749155640602112
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835850596427917
COc1ccc(N2CCN(C(=O)c3ccc(Cl)nn3)CC2)cc1,-0.9021980166435242
Cc1ccc([C@@H](C)NC(=O)CCN2CC[NH+](C)CC2)cc1,-1.4485193490982056
C[NH+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCCO2,-1.3169435262680054
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.196060299873352
O=C(Nc1ccc(F)cc1)N1CC[C@@H]1c1ccc(F)cc1,-1.1964600086212158
O=C(CN1CC[NH+](C2CCOCC2)CC1)Nc1ccc(Cl)cc1,-1.3164727687835693
Cc1ccc(C[NH+]2CCC(Oc3ccc(N)cc3)CC2)cc1,-1.4757860898971558
O=C(Nc1cc(Cl)ccc1O)N1CCC[C@H](c2ccccc2)C1,-0.9909910559654236
Fc1cc(Br)ccc1Cc1nc(Cc2ccc(Cl)cc2)no1,-0.7269233465194702
O=C(NC[C@H]1CCC2(CCC2)C1)N1CC[NH+]2CCC[C@H]2C1,-1.3042067289352417
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1081440448760986
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718963146209717
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.890188455581665
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.8002123832702637
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.3336708545684814
C[C@@H]1CCCCN(C(=O)NC[C@@H]2CC3(CCCC3)CO2)C1,-1.5529485940933228
O=C(NCc1ccc(Cl)cc1)C(=O)N1CCC[C@H](O)C1,-1.3820677995681763
Cc1cc(N)ccc1C(=O)N[C@H](C)Cc1cccc(Cl)c1,-0.9992624521255493
Cc1cnc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)s1,-1.0082646608352661
C[C@H]1C[NH+](C)CCN1C(=O)NC1CCC(c2ccccc2)CC1,-1.0883722305297852
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.017091155052185
O=C([O-])c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1,-1.0772093534469604
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368123054504395
Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2o1,-1.1049901247024536
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701712727546692
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(F)nc1,-1.0422759056091309
Cc1ccc(CNC(=O)NC2CCOCC2)cn1,-1.6471444368362427
O=C(NC1CCCCC1)N1CCN(c2ccccc2)C(=O)C1,-1.3412033319473267
CC1CCC(NC(=O)Cc2ccc(N3CCCCC3)cc2)CC1,-1.3095248937606812
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0782501697540283
C[C@@H]1CN(C(=O)Nc2ccccc2F)CCN1c1ccccc1,-1.0436896085739136
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.335701823234558
Nc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1,-1.1812658309936523
Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0619728565216064
CCc1ccc(C(=O)Nc2ccc([S+]([O-])CCO)cc2)cc1,-1.4173426628112793
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2188066244125366
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](Cc2ccc(Br)cc2)O1,-1.4681353569030762
CC1CCN(C(=O)c2cc(O)nc(Cc3ccccc3)n2)CC1,-0.9260304570198059
Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)c1,-1.4697402715682983
C[NH+]1CC[C@](C)(C(=O)N[C@@H]2CCO[C@H]2C2CCCCC2)C1,-1.4479502439498901
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1962953805923462
Cc1nc2ccc(CNC(=O)[C@@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9711860418319702
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[C@H]1c1ccccc1,-1.0990617275238037
Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1,-1.0682666301727295
Nc1ccc(NC(=O)NCc2ccccc2)nc1,-1.6381194591522217
Cc1ncccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9462314248085022
Cn1cc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.1229203939437866
O=C(c1ccccc1)N1CCC(Oc2ccc(F)cc2Br)CC1,-0.9948724508285522
Nc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9091876745223999
CCCCC(=O)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5368924140930176
Cc1ccc(CN2CCN(C(=O)C3CCOc4ccccc43)CC2)cc1,-1.035977840423584
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-0.9993278980255127
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.081238031387329
Cc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6861696243286133
CC(O)(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1,-1.4749835729599
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2741349935531616
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.4089738130569458
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844228744506836
C[C@@H]1C[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1,-1.2172576189041138
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0268772840499878
Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,-1.4649872779846191
O=C(CC[NH+]1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5196049213409424
CN1CCCc2cc(C(=O)N3CCC[C@H](c4ccc(F)cc4)C3)ccc21,-0.4950290322303772
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0762310028076172
Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)s1,-0.9067881107330322
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9367973208427429
Cc1ccc(C(=O)NCCc2ccc(Br)cc2F)cc1F,-0.7786422967910767
NC(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2)cc1,-1.4610120058059692
O=C(NC1CC2(CCC2)C1)N1CC[C@H](c2ccccc2)C1,-1.5669960975646973
C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0348163843154907
CC1(O)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.5375093221664429
O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.2909865379333496
O=C(Nc1ccccc1I)N1CCN(c2ccc(F)cc2)CC1,-0.8632102012634277
Cc1nn(C)cc1NC(=O)NCc1ccccc1,-1.597428321838379
CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)cc1,-1.6061829328536987
Cc1ccc(CNC(=O)[C@]23CCCC[NH+]2CCC3)cc1Br,-1.0347963571548462
Clc1ccc(NCc2ccccc2N2CCCCC2)cc1Cl,-0.9726060032844543
NC(=O)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.1957570314407349
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0019890069961548
Oc1cccc(N2CCC(NCc3ccc(Br)cc3)CC2)c1,-1.1744498014450073
CCC(C)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)cc1,-1.2012001276016235
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0941473245620728
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9711929559707642
Cc1cc(O)ccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1,-1.1802780628204346
Cc1ccc(CNC(=O)c2cc3ccc(F)cc3[nH]2)cc1,-1.2224485874176025
C[C@@H]1CC(=O)N(c2ccccc2)C1,-1.7939486503601074
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1O,-1.3612509965896606
O=C(Nc1ccc2[nH]cnc2c1)c1cc(-c2ccccc2)on1,-1.0887702703475952
O=C(COc1ccc(Br)cc1)N1CCC(c2ccc(F)cc2)CC1,-0.945875883102417
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1380293369293213
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6713281869888306
Cc1nc(-c2ccc(C(=O)N[C@H]3CC[NH+](C)C3)cc2)n[nH]1,-0.9742315411567688
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1,-1.1924083232879639
O=C(NC1CCCCC1O)N1CCC(c2ccc(F)cc2)CC1,-1.0447496175765991
C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.504815936088562
COc1ccc(OCCOc2ccc(F)cc2)cc1,-1.6849993467330933
Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)o1,-0.917866587638855
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1c1cccc(F)c1,-1.036698579788208
CCC[NH+]1CC[C@H](NC(=O)c2cccc(F)c2)C1,-1.6242378950119019
Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1624518632888794
O=C(NCC(O)=NCCc1ccc(Br)cc1)c1ccccc1,-1.4323124885559082
O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(F)cc12,-0.9729123115539551
Nc1ccc(F)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1,-1.2678133249282837
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795672178268433
CC1(C)CCCC(NCc2ccc(N3CCCCC3)cc2)C1,-1.4319849014282227
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8978949785232544
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1025810241699219
O=C(Cc1ccccc1)Nc1ccc(Br)cc1[S+]([O-])C1CCCCC1,-0.9520739316940308
COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.603674292564392
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3825184106826782
Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(N)cc2)c1,-1.556842565536499
O=C(NCc1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1,-1.5688426494598389
O=C(N[C@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8825303912162781
O=C(Cc1ccc(N2CCOCC2)cc1)N1CC[C@H](C2CCCCC2)C1,-1.1086974143981934
Cc1ccc(C(=O)Nc2ccc(NC(=N)O)cc2)cc1,-1.5517302751541138
CCNc1ccc(C(=O)N2CCO[C@@H](C3CCOCC3)C2)cc1,-1.4336978197097778
C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(O)cc2)cc1,-1.270587682723999
CC(=O)Nc1ccc(C(=O)N2CC(C)CC(C)C2)cc1,-1.2335070371627808
NC(Cc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1,-1.3885712623596191
O=C(N[C@H]1CC12CCCC2)N1CC[C@@H](c2ccccc2)C1,-1.443204641342163
CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.516154408454895
Cn1cc(CC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cn1,-1.3844093084335327
O=C(NCC(=O)N1CCOc2ccccc21)[C@@H]1CCCCO1,-1.52186918258667
Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1,-1.078874111175537
O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1702191829681396
Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1,-0.8714450001716614
Cc1cc(C(=O)NC[C@@H]2CCc3ccc(O)cc3O2)n[nH]1,-1.1392911672592163
Cc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1,-1.0974667072296143
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.123740315437317
CC1CC[NH+](C2CCN(C(=O)Nc3ccccc3S)CC2)CC1,-0.9961636066436768
C[C@]1(C[NH+]2CCOCC2)CCN(C(=O)Cc2cccs2)C1,-1.547822117805481
Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)C2)c(C)c1,-1.0306888818740845
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3008092641830444
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9664140939712524
O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2361172437667847
CCCC(=O)NCc1ccc(N2CC(C)OC(C)C2)cc1,-1.5188488960266113
CN(C(=O)C(C)(C)O)C1CC[NH+](Cc2ccccc2)CC1,-1.5212379693984985
CCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1,-1.4071991443634033
O=C(Cc1cccc(Cl)c1)NC[C@@H]1CC[NH+]2CCC[C@@H]2C1,-1.1904786825180054
Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)cc1,-1.4162683486938477
O=C(NCc1ccccn1)Nc1ccc(I)cc1,-1.487244725227356
CO[C@@H]1CCCN(C(=O)NCc2cnc(C)s2)C1,-1.4093579053878784
C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0443427562713623
O=C(CCc1ccc(Br)cc1F)NCc1ccc(F)cc1,-1.171748399734497
O=C(NCc1cccc(F)c1)c1cc2ccc(Cl)cc2o1,-1.0396506786346436
CC[C@@H]1CCCCN1C(=O)NCc1cc(C)no1,-1.569854974746704
CC(C)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1,-1.0619302988052368
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.3628028631210327
O=C1CCCN1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.037238359451294
CC(C)(CNC(=O)c1ccc(F)cc1)C[NH+]1CCCCC1,-1.4408698081970215
c1ccc(CN2CCN3CCN(Cc4ccccc4)CC3C2)cc1,-1.3790539503097534
Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.5923298597335815
C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9571206569671631
O=C(NC1CCOCC1)N1CCN(c2cc(F)ccc2F)CC1,-0.9459335803985596
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0753352642059326
Cc1nc(-c2ccc(NC(=O)c3ccn(C)c3)cc2)no1,-1.2163292169570923
O=C(NCc1ccc(Cl)c(Br)c1)C(=O)N1CCCCC1,-0.9832649827003479
CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)[NH2+]1,-1.4797724485397339
Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3806004524230957
O=C(Nc1ccc(F)cc1F)c1cccc(N2CCCCC2)c1,-0.9535020589828491
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9860377311706543
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100534439086914
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.02643620967865
Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.4430530071258545
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9680822491645813
Cc1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1,-0.932738184928894
Cc1ccc(CNc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.190242886543274
Cc1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)O)CC2)cc1,-1.3464574813842773
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9754312038421631
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0936068296432495
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1,-0.9528473615646362
Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1901980638504028
Cc1ccc(OCC(=O)N[C@H]2CC[NH+](C)C2)cc1Br,-1.3355846405029297
Cc1cccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)c1,-1.106310486793518
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1756505966186523
Nc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.0285818576812744
O=C(Nc1cc(F)cc(F)c1)C(=O)Nc1ccccn1,-1.2628839015960693
CC1CC[NH+](CC(=O)NCC[C@@H](C)c2ccccc2)CC1,-1.54612135887146
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3329219818115234
O=C(Nc1cccc(F)c1)C1CCN(c2ccccc2F)CC1,-0.9772539138793945
O=C(NCc1cccc2ccccc12)c1ccc2[nH]ncc2c1,-0.9579142928123474
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)[NH+]1CCCCC1,-1.4788436889648438
CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.626698613166809
CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.4628843069076538
Cc1ccc(CN2CCN(C(=O)c3cccc(N)c3)CC2)cc1,-1.2749239206314087
O=C(CCc1ccc(Br)cc1)NCc1ccc(O)cc1F,-1.1743860244750977
Oc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3153023719787598
CCC(=O)N(CC)CCC1CCN(C(=O)Cc2ccc(F)cc2)CC1,-0.950688898563385
Cn1ncc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n1,-0.8494645953178406
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0314412117004395
O=C(Cc1cc2ccccc2s1)NCc1ccc(Br)cc1,-1.130354404449463
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1,-1.1768324375152588
CC(C)(O)CC(=O)NCc1ccccc1,-1.867743968963623
O=C(Nc1ccc(F)cc1F)c1ccccc1-c1ccccc1,-0.9870589375495911
Cc1ccc(CCOc2ccc(C(N)C(=O)O)cc2)cc1,-1.5638694763183594
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1206046342849731
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9395522475242615
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2[nH]1,-0.9675502777099609
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2544264793395996
CCc1ccccc1NC(C)COc1ccccc1,-1.643725037574768
C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.0736793279647827
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.3005526065826416
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8931731581687927
O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2F)cc1,-0.9512563347816467
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.98526531457901
O=C(Nc1ccc(Cl)cn1)N1CCC[C@@H](c2ccccc2F)C1,-0.8031745553016663
C[NH+]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccccc3F)C2)C1,-0.9723803400993347
C[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(F)cc1F,-0.8849034905433655
OC(=NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCO1,-1.5387600660324097
O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(Cl)cc1,-1.1086982488632202
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.205142855644226
Cc1cc(Cl)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9725675582885742
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-1.0961151123046875
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.060636043548584
C[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2)C[C@@H](C)O1,-1.3700047731399536
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9708876609802246
c1cc(N2CCOCC2)ccc1C[NH+]1CCN(C2CCCC2)CC1,-1.3540356159210205
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.048721432685852
Cc1cc(C(=O)NCc2ccccc2)ccc1[N+](=O)[O-],-1.5007091760635376
O=C(NCC1CC1)[C@@H]1CCN(c2ccccc2)C1,-1.6145092248916626
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F,-0.9753886461257935
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1675314903259277
O=C(Cc1ccc(Oc2ccccc2)cc1)N1CCCOCC1,-1.5408416986465454
CO[C@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.3757832050323486
Cc1ccc(-c2nc(CCOc3ccc(Br)cc3)no2)cc1,-1.1672205924987793
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1874910593032837
Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)cc1,-1.414065957069397
C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9793899059295654
C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.291519284248352
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(C)c1,-1.159796118736267
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.311055064201355
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0368155241012573
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210324287414551
Cc1nc(C[NH+]2CCN(CCc3ccc(F)cc3)CC2)cs1,-1.2257890701293945
CC(C)c1ccc(C(=O)N[C@@H]2CC[NH+]3CCOCC[C@@H]3C2)cc1,-1.086167812347412
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1cccc(O)c1,-1.0406826734542847
Cc1cc(C(=O)Nc2ccc(N)cc2)ccc1-c1ccccc1,-1.2360048294067383
O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1,-1.5655969381332397
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.0001544952392578
O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1,-1.5815792083740234
CCC[NH+]1CCC[C@H](C(=O)NCc2ccccc2F)C1,-1.4420232772827148
CC(C)[NH+]1C[C@@H](C)C[C@H](NC(=O)c2ccc(F)cc2O)C1,-0.9033039808273315
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0175132751464844
O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C1CCCCC1,-0.9907289147377014
Cc1cc(NCc2ccccc2C)n(-c2ccc(O)cc2)n1,-1.1737247705459595
CCc1ccc(NC(=O)[C@H](C)[NH+]2CCOC(C)(C)C2)cc1,-1.5262373685836792
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.0608420372009277
Cc1ccc(NC[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.528062105178833
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9893341064453125
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4299204349517822
Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9672971367835999
Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1Cl,-0.40776872634887695
O=C(Nc1cc(O)ccc1Cl)c1ccc(-c2ccccc2)cc1,-1.167320728302002
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1sccc1Cl,-0.8631007671356201
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1312447786331177
Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2114996910095215
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0683015584945679
O=C(c1ccc(Br)nc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.1400091648101807
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4734474420547485
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9592065811157227
O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5167974233627319
CCC(C)(O)CNC(=O)c1cc(-c2ccccc2)n(C)n1,-1.3095366954803467
Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0236990451812744
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3577650785446167
O=C(c1ccc(Cl)cc1)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9945927262306213
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3376694917678833
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3322633504867554
CCC[C@H]1CCCN(C(=O)Nc2ccc3cc(F)cnc3c2)C1,-0.8183704614639282
CC(=O)N1CCCC(CNCc2ccccc2)C1,-1.6567021608352661
O=C(NCCN1CCc2ccccc21)c1cc2ccccc2s1,-0.9523540735244751
O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5842333436012268
O=C(CCc1ccccc1)NCc1cc(F)c(F)cc1F,-1.1471613645553589
O=C(CC1CCCCC1)NCc1ccc([N+](=O)[O-])cc1,-1.5637297630310059
Cc1ccc(-c2nnsc2NC(=O)c2ccn(C)n2)cc1,-0.8049145936965942
Cc1ccc(CC[C@H](O)C(=O)NCc2ccccc2)cc1,-1.630275011062622
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1,-1.0417048931121826
C[NH+]1CCC2(CCC[C@H](CNC(=O)C3CCCCC3)C2)C1,-1.5217539072036743
O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CCCCC2)CC1,-0.7941063046455383
NS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5163484811782837
c1ccc(CN2CC[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1,-1.3466014862060547
Cc1ccc(N(C(=O)c2ccccc2)c2ccccc2)c(C)c1,-1.184461236000061
C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.0212551355361938
CC(C)Cc1ccc(NC(=O)N2CCOC(C)(C)C2)cc1,-1.5420410633087158
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Br)CC1,-0.8276141881942749
CCOc1ccc(CC(=O)N2CC[NH+](C)C[C@H](C)C2)cc1,-1.4482463598251343
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0230765342712402
Cc1ccc([C@@H]2CCN(C(=O)c3ccccc3S(N)(=O)=O)C2)cc1,-0.9597458839416504
O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9659073948860168
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1470719575881958
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.996169924736023
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9231268167495728
c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5854791402816772
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114645719528198
CN1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0257805585861206
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9315330982208252
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)O)cc(C)n1,-1.0608665943145752
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1746556758880615
Cc1cccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1,-1.177036166191101
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.396503210067749
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.50517737865448
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9963322877883911
Cc1ccc(OC(=O)CCOc2ccc(C#N)cc2)c(C)c1,-1.5377408266067505
O=C(Nc1ncccc1O)N1CCN(c2ccc(F)cc2)CC1,-0.980539858341217
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9998725056648254
COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,-0.9760107398033142
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.0579423904418945
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1,-1.141632080078125
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2635653018951416
C[C@@H](CCc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1,-1.222727656364441
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCC[C@H]1c1ccccc1,-1.1471235752105713
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0754972696304321
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1482105255126953
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2665159702301025
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4878473281860352
CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1,-1.0439811944961548
CN(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1,-1.4250017404556274
NS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1,-1.517453670501709
Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.4568969011306763
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3007291555404663
Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.3185843229293823
Cc1nc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n[nH]1,-1.0615686178207397
Nc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.055835247039795
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.421053022146225
O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9745046496391296
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.2599058151245117
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3945643901824951
CC(C)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.0369127988815308
Nc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cc1,-1.0343767404556274
O=C(Oc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccs1,-1.026090383529663
CCc1ccc(C(=O)N2CCN(c3ccc(I)cc3)CC2)cc1,-0.9076501131057739
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.968267560005188
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)nc1,-1.0401118993759155
Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cnn(C)c2)cc1,-1.380979299545288
Cc1cc(N)cnc1N[C@@H]1CCCN(C(=O)c2ccccc2)C1,-0.9376556873321533
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)on1,-1.0193262100219727
Cc1nc(C(=O)Nc2ccc(-c3ccc(F)cc3)s2)co1,-1.0503557920455933
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0723857879638672
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3772697448730469
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1F,-0.9608474969863892
[NH3+]c1ccc(NC(=O)c2ccc(CC(F)(F)F)cc2)cn1,-1.2488359212875366
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0134005546569824
CCCOc1ccc(CN2CCN(C(O)=NC(C)C)CC2)cc1,-1.3885829448699951
O=C(NCc1ccc(Br)cc1)N1CCC(C2CCCC2)C1,-1.2844129800796509
Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0431607961654663
Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)o1,-1.0690367221832275
Cc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1,-1.4805008172988892
O=C(Cc1cc(F)c(F)cc1F)NCc1ccc(Br)cc1,-0.8053860068321228
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.2793471813201904
Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9311277270317078
CC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.534379005432129
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-1.0609221458435059
Cc1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.432379126548767
CC(C)NC(=O)N1CCC(Cc2cccs2)CC1,-1.5610828399658203
C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1-c1ccc(F)cc1,-0.8617099523544312
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1735097169876099
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.7419950366020203
Cc1ccc(N=C(O)C(=O)Nc2ccccc2N2CCOCC2)cc1,-1.17061448097229
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CC=CCC1,-1.318989872932434
C[C@H](NC(=O)[C@@H](C)c1ccc(F)cc1)c1ccc(Br)cc1,-1.0482439994812012
COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.6383419036865234
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9594981670379639
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1,-1.178368330001831
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccccc3F)C2)c1,-1.036393642425537
CN(CCC(=O)OCc1ccccc1)C1CCCCC1,-1.6318511962890625
Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.754720151424408
Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.3248317241668701
O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.2480411529541016
Clc1cc(OCc2ccccc2N2CCCCC2)ccc1I,-0.9393641948699951
O=C(O)C1CCN(C(=O)c2sccc2C(F)(F)F)CC1,-0.9539951682090759
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172408580780029
Cc1ccc([C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1,-1.0345500707626343
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5302940607070923
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1849172115325928
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.188405990600586
[NH3+][C@H]1CCC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)C1,-1.1959344148635864
Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.773604691028595
C[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H](c2ccc(F)cc2)O1,-1.0085067749023438
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5477163791656494
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100332975387573
Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0907526016235352
O=C(Nc1ccc(N2CCCNC2=O)cc1)c1ccccc1,-1.3534051179885864
Cc1ccc(CN2CCN(Cc3ccccc3)CC2C)cc1,-1.4524353742599487
CC(C)Cc1ccc(NC(=O)N2CCOC(C)(C)C2)cc1,-1.540846347808838
N#Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1,-1.5625505447387695
COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.415074110031128
O=C(Nc1ccccc1Cl)N1CCO[C@H](c2ccc(Cl)cc2)C1,-0.9615443348884583
CC(C)(C)c1nc(C[NH+]2CCN(c3ccccc3)CC2)no1,-1.1979273557662964
CC[C@H]1CCN(C(=O)NCc2ccc(C)cc2)C1,-1.6085017919540405
O=C(CCc1ccccc1)NCc1ccc2c(c1)CCO2,-1.5541495084762573
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.083233118057251
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.079725742340088
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9313524961471558
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.138620138168335
O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.7613983750343323
Clc1cc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)c1,-1.0948486328125
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9600853323936462
C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1131336688995361
O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5200108289718628
CC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1,-1.283626675605774
O=C([O-])[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)on2)C1,-1.0968596935272217
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8931259512901306
CC(C)(C)C(=O)NC[C@H]1CCN(c2ccccc2)C1=O,-1.4144816398620605
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8875519633293152
Cc1ccc(-n2cc(C)c(NCc3ccc(I)cc3)n2)cc1,-0.8434947729110718
Fc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1,-1.2260479927062988
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1,-1.1784148216247559
O=C(Nc1cnn(-c2ccccc2)c1)c1cc2ccccc2o1,-1.2247601747512817
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9056112170219421
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0495280027389526
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.541135549545288
CN1CCN(Cc2ccc(Oc3ccc(F)cc3)cc2)CC1,-1.4307528734207153
O=C(Nc1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1,-0.8219476342201233
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]ccc2c1,-0.9170466065406799
COc1ccc(C(=O)NCc2ccon2)cc1C,-1.5932940244674683
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.517470359802246
O=C(NC1CCN(c2ccc(Br)cc2F)CC1)c1ccccc1,-0.9715238213539124
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.9024034738540649
OC(CN=C(O)COc1ccc(F)cc1)=NCCc1ccc(Cl)cc1,-1.189828872680664
Cc1nc2c(s1)C[NH+](Cc1cccc(NC(=O)[O-])c1)CC2,-0.9950563907623291
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1,-1.2003378868103027
Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)n1,-0.915588915348053
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0476627349853516
O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(F)cc1,-1.1382673978805542
CC1(O)CN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.5639936923980713
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9953092932701111
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.346169352531433
CC(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.2671878337860107
Cc1ccc(C[NH+]2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.4133983850479126
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0675407648086548
O=C(Nc1ccc(-c2nccs2)cc1)c1cc2ccccc2s1,-0.9260647296905518
Cc1ccc(CCC(=O)NC[C@H]2CCCC(=O)C2)cc1,-1.575730800628662
O=C([O-])CC(NC(=O)c1ccccc1F)c1ccc(Cl)cc1,-1.1247376203536987
O=C(C[NH+]1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl,-0.9810200333595276
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1,-0.6292638778686523
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.234942078590393
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)N1CCCCCC1,-1.0541225671768188
O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccccc1,-1.3658596277236938
Cc1ccc(NC(=O)N2CCC(c3ccccc3Cl)CC2)cn1,-0.8547275066375732
O=C(O)c1ccc(COCC2CCCCC2)cc1,-1.676954746246338
CC([O-])C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1,-1.17643141746521
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(F)c2)cn1,-1.143447756767273
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1F,-0.9751430749893188
C[C@@H]1COCC[C@@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.179072618484497
CC(C)(C)CC(=O)Nc1ccc(CN2CCCCC2)cc1,-1.6024961471557617
O=C(Nc1cccc(N=C(O)c2ccc(O)cc2)c1)c1ccccc1,-1.2241528034210205
CC(C)(C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.295694351196289
COc1ccc(CNC(=O)c2cc(C)no2)cc1,-1.617547631263733
COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1389691829681396
C[NH+]1CCN(C(=O)c2ccc(OCC(C)(C)C)cc2)CC1,-1.4865037202835083
CC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.4906175136566162
O=C1C[C@@H]([NH2+]CC2CCCCC2)CN1c1ccc(Br)cc1,-1.1047720909118652
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2610152959823608
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.166711688041687
O=C(NC1CCCC(c2ccccc2)C1)[C@@H]1CC12CCOCC2,-1.4067436456680298
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.8537165522575378
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0722715854644775
O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9185077548027039
C[NH+]1CCCCC[C@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(Br)cc1,-1.0086666345596313
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8880937099456787
O=C(Nc1ccc(O)nc1)N1CCC(c2ccccc2F)CC1,-0.9914870858192444
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1611818075180054
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0661910772323608
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4398400783538818
Oc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-1.1301159858703613
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.4356474876403809
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.9945005178451538
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1907060146331787
CC(C)C1CCCCN1C(=O)c1ccc(-c2ccccc2)cc1,-1.080565094947815
C[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.0285818576812744
COc1cc(C)ccc1CN1CCN(c2ncc(C)s2)CC1,-0.9456367492675781
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0778162479400635
Fc1ccc(COC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2755986452102661
C[NH+]1CCN(c2ccccc2C(=O)Nc2ccccc2F)CC1,-1.0291017293930054
C[C@@H](CCc1ccc(F)cc1)NC(=O)c1cccc(Cl)c1,-1.1816022396087646
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.104841947555542
O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.0549497604370117
CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1,-1.2708367109298706
O=C(C[NH+]1CC[NH+]2CCC[C@H]2C1)NCc1cccc(F)c1,-1.3373903036117554
O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC(F)(F)C1,-1.0800038576126099
COc1ccc(NC(=O)c2ccc3c(c2)NCCC3=O)cc1,-1.0677611827850342
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1280536651611328
COc1ccc(C2CCN(Cc3cc4ccccc4o3)CC2)cc1,-1.1646697521209717
O=S1(=O)CC[C@H](Cc2nc(Cc3ccccc3)no2)C1,-1.555846929550171
CC1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.5342227220535278
Cc1ccccc1NC(=O)C(C)Oc1ccc(F)c(F)c1,-1.1089996099472046
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncccc2F)C1,-0.8142483234405518
O=C(c1cccc(Br)c1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9272158741950989
Cc1ccc(-c2ccc(NC(=O)[C@H]3CCCC[C@H]3O)cc2)cc1,-1.3102283477783203
Cc1ccc2nc(CNC(=O)c3ccc(N)cc3)[nH]c2c1,-1.0576503276824951
O=C(c1cccs1)N1CC[C@@](O)(Cc2ccc(Br)cc2)C1,-1.3397303819656372
OC(Cc1ccc(OCc2ccco2)cc1)=Nc1cccnc1,-1.5194183588027954
c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.276878833770752
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210153222084045
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Cl)c1,-0.949725866317749
Cc1cccnc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1,-1.2399696111679077
CC(C)N1CC[NH+](Cc2nnc(-c3ccc(Br)cc3)o2)CC1,-0.8154749274253845
Cn1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1,-0.9334479570388794
Cc1ccc(OCc2nc(-c3cc(F)ccc3C)no2)cc1,-1.027840256690979
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3896085023880005
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2580393552780151
Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.556834101676941
O=C(Nc1cc(F)ccc1F)C1CCN(c2ccccc2)CC1,-0.9614587426185608
O=C(C[NH+]1CC[C@H]2CCCC[C@@H]21)NCc1ccc(F)cc1,-1.2408514022827148
Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0815834999084473
COc1ncccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1,-0.9876110553741455
COc1ccc(N2CCN(C(=O)CN3CCCCC3)CC2)cc1,-1.365390419960022
Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.130428671836853
CC[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)CC(=O)N3)CC1,-0.9928459525108337
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4634225368499756
O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.8736639022827148
Cc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1,-1.0007991790771484
O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.159364938735962
O=C(c1ccc2cc(Br)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.37806931138038635
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9576917290687561
Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3308731317520142
NC(=O)CCCC(=O)Nc1ccc(Sc2ccccc2)cc1,-1.5051671266555786
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCC[C@H](c2ccccc2)C1,-0.8838120102882385
O=C(C1CC(F)(F)C1)N1CCC(Cc2ccccc2)CC1,-1.2439643144607544
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0209237337112427
Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0005124807357788
CN1CCN(Cc2ccccc2)C(Cc2ccc(F)cc2)C1,-1.348414421081543
Cc1cc(C(=O)NCc2ccc3nonc3c2)ccc1Br,-0.9656122326850891
Nc1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.257548213005066
CC1CC[NH+](CCC(=O)NCCc2ccc(Br)cc2)CC1,-1.4461380243301392
C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1,-1.5116747617721558
Cc1ccc(N2CC[C@H](NC(=O)c3ccc(C)s3)C2)cc1,-1.1096580028533936
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.1979268789291382
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9886337518692017
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2046571969985962
CCC(=O)N1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1,-1.2479448318481445
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCOCC3)cc2)CC1,-1.411573886871338
O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1,-1.336005687713623
CC(C)C(C)(C)c1ccc(C(=O)NC(C)(C)C)cc1,-1.2344944477081299
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0632398128509521
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cn1,-1.2484210729599
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3N)CC2)cc1,-1.1249363422393799
O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.883542537689209
COc1ccccc1C(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9379885792732239
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1083812713623047
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8879833221435547
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9612272381782532
Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(F)cc1,-0.9965184330940247
C[C@@H]1CN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C[C@H](C)O1,-1.2200679779052734
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0261116027832031
O=C(Cc1cc2ccccc2o1)NCc1ccc(Br)cc1,-1.3325002193450928
Cc1ccc(NC(=O)C[NH+]2CCO[C@H](C(C)(C)C)C2)cc1,-1.5240873098373413
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571036100387573
C[NH+]1CCC(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1,-1.0622286796569824
CCOC(=O)N1CCN(CC(O)=Nc2ccc(Cl)nc2)CC1,-1.1595416069030762
O=C1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCN1,-1.49172043800354
COc1cc(F)ccc1C(=O)N[C@@H]1CCC2(CCCC2)C1,-1.286411166191101
O=C(NC1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1,-0.9673213958740234
COc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1,-1.6280584335327148
O=C(CCC1CCOCC1)NC[C@H]1CCS(=O)(=O)C1,-1.699436068534851
C[C@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8824562430381775
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6882985830307007
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1003708839416504
CC(C)N1CC[NH+](Cc2csc(-c3ccc(Br)cc3)n2)CC1,-0.83632493019104
O=C(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1,-0.6721522212028503
Cc1cc(F)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-1.044724702835083
CN1CCN(c2ccc(NC(=O)CC3CCCCC3)cc2)CC1,-1.3481289148330688
Cc1ccc(CNC(=O)C[C@H]([NH3+])c2ccc(Br)cc2)cc1,-1.2682126760482788
CC(NC(=O)c1ccccc1)C(O)=NC(C)c1ccccc1,-1.443199634552002
Cc1ccc(C[NH+]2CCN(C(=O)c3cccnc3C)CC2)cc1,-1.1559336185455322
O=C(Nc1ccc(F)cc1)[C@@H]1CCCCN1c1ccccc1F,-0.93269944190979
CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(I)cc2)C1,-1.1241084337234497
Cc1ccc(NC(=O)N2CCC(C(C)(C)O)CC2)c(C)c1,-1.1914697885513306
Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1N,-1.192199468612671
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(O)cc3)C2)C1,-1.2945432662963867
Cc1ccc(NC(=O)N2CCC(c3ncccc3F)CC2)cc1,-1.0100953578948975
Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.0458083152770996
Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)c(Cl)c1,-0.9737520217895508
O=C(NC1CCN(c2cccc(F)c2)CC1)[C@H]1CCCC[C@H]1O,-1.0411272048950195
O=C(NC1CCCCC1)C1=CC(=O)N1Cc1ccccc1,-1.5709549188613892
Clc1cccc(C[NH+]2CCCCC2)c1,-1.7386175394058228
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(N)n1,-0.8428236246109009
O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4040179252624512
Cc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)n[nH]1,-0.9930014610290527
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517606258392334
Cc1nnc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)s1,-0.7812284231185913
CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5206879377365112
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3F)cc2)cc1,-1.099508285522461
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)nc1,-1.0067987442016602
C[C@H]1CN(c2ccccc2C(=O)NCC(F)(F)F)CCO1,-1.1237856149673462
C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5370142459869385
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1Cl,-0.893096387386322
O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1,-1.1017074584960938
Cc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.5289276838302612
CN(C)c1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1,-1.5865881443023682
C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC3(CCCC3)C2)C1,-1.5159673690795898
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9642726182937622
c1ccc(-c2ccc(C[NH+]3CCC(N4CCCC4)CC3)cc2)cc1,-1.3307671546936035
Cc1ccccc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1,-0.9750093221664429
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.1593884229660034
CC(C)[C@H]1CCC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2)C1,-1.0120389461517334
O=C(NC1CCC(c2ccccc2)CC1=O)c1ccccc1,-1.3545488119125366
CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0010391473770142
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.297780156135559
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.9462000727653503
Cc1ccc(C(=O)N2CCN(C(=O)C3=CCN(C)CC3)CC2)cc1,-0.9824075698852539
CC1CCCCC1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9717195630073547
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6709840297698975
C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1C(=O)c1ccccc1,-1.1142547130584717
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4098278284072876
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5141611099243164
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.9196158051490784
Cc1cc2cc(CNC(=O)N3CCC[C@H](O)C3)ccc2o1,-1.2976468801498413
CC[C@@H]1CCCCN1C(=O)c1ccccc1N1CC[NH+](C)CC1,-0.9775464534759521
CC(C)(O)CC(=O)Nc1ccc(-c2nc3ccc(F)cc3s2)cc1,-0.7529723644256592
CN1CC[NH+](CC2CC[NH+](Cc3ccc(I)cc3)CC2)CC1,-1.3363819122314453
CC(C)Oc1ccc(NC(=O)C(C)(C)C(C)C)cc1,-1.501420021057129
O=C(c1ccc(O)cc1)N1CCN(CCN2CCOCC2)CC1,-1.5183247327804565
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503679275512695
Cc1cccc(NC(=O)c2ccc(CC(C)(C)O)cc2)c1,-1.5274460315704346
Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8892865180969238
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)nc1,-1.0068286657333374
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.074162483215332
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095348358154297
Cc1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)s1,-1.1050881147384644
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1836228370666504
O=C(NCC(=O)N1CCCCC1)c1ccc(F)c(F)c1,-1.1455349922180176
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.377999186515808
CN1CC[NH+](Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C1,-1.3727896213531494
O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.3303799629211426
O=Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.3924113512039185
O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1Cc1ccccc1,-1.3143140077590942
Nc1ccc(NCc2ccc(Cl)cc2)c(-c2ccccc2)c1,-1.1101993322372437
C[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1,-0.9583519697189331
O=C(NC[C@@H](O)Cc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1,-1.335922360420227
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750083923339844
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1F,-1.295990228652954
C[NH+]1CCCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1,-1.4683175086975098
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0628825426101685
Cc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1Br,-0.9121799468994141
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2o1,-0.9913536906242371
O=C1C[C@H](NC(=O)[C@@H]2CCC[C@@H](C3CCCCC3)C2)CCN1,-1.311681866645813
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595085382461548
O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[NH+]2CCC[C@@H]2C1,-1.0324997901916504
[NH3+][C@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1O,-1.2491074800491333
C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CCCO1,-1.359575629234314
Fc1ccc(-c2noc(COc3cc(F)ccc3Cl)n2)cc1,-0.8408434987068176
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1Cl,-0.9739428162574768
Nc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.177992582321167
CC(C)(CNC(=O)c1cccc(Cl)c1)C[NH+]1CCCCC1,-1.4550480842590332
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.056533694267273
NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)C1,-1.0733448266983032
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.151502013206482
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241691827774048
C[NH+]1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.5117295980453491
O=C(Nc1ccc(-c2noc3ccccc23)cc1)c1cccs1,-1.1699076890945435
C[NH+]1CC[C@H](NC(=O)NCc2ccccc2Br)C1,-1.542630672454834
Cc1nc2ccc(CNC(=O)c3cccc(Cl)c3)cc2[nH]1,-0.880018413066864
Cc1oc2ccccc2c1C(=O)NCc1ccc(Br)cc1,-1.0224575996398926
Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.941448986530304
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.104511022567749
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.8771841526031494
Cc1occc1CNC(=O)Nc1ccc(Br)cn1,-1.4235113859176636
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1899470090866089
Cc1cccc(NC(=O)c2ccc(CC(F)(F)F)cc2)c1,-1.2418088912963867
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.040655255317688
Cn1ccc(NC(=O)c2ccn(-c3ccc(O)cc3)n2)n1,-1.1663914918899536
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8729503154754639
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cn1,-0.8627297282218933
O=C(C[NH+]1CCOC[C@H]1c1ccccc1)Nc1ccncc1Cl,-1.232066035270691
CN(CCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1,-1.3471453189849854
C[C@H]1CSCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.2315852642059326
Cc1ccc(C(=O)NCCC(=O)N2CCC(C)CC2)c(C)c1,-1.082067847251892
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1183147430419922
O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7711925506591797
O=C(NC1CCN(c2ccc(F)cc2)CC1)C1CCCCCC1,-1.2543048858642578
CN1CC[NH+]([C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)CC1,-0.930849552154541
O=C1CCCC(NC(=O)c2ccc(N3CCCCC3)cc2)C1,-1.3296313285827637
Cc1ccc(C(=O)NCC[NH+]2CCC3(CCC3)C2)c(C)n1,-1.1571799516677856
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.3949075937271118
CC(C)(C)C(=O)NCC[NH+]1CCN(C2CCCCC2)CC1,-1.448803424835205
CS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1,-1.4512982368469238
CCC(CC)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.3351845741271973
CO[C@H]1CCC[C@@H](CNC(=O)c2ccc(Br)o2)C1,-1.5188323259353638
N[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1,-1.4407882690429688
Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n[nH]1,-1.0411533117294312
CC1(C)CCN(C(=O)COc2ccc(C(=O)O)cc2)C1,-1.553385853767395
Nc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.0480095148086548
O=C(Cc1ccc(Br)cc1F)NCc1ccc(Cl)cc1Cl,-0.6104883551597595
CC1CN(c2ccc(CNc3ccccc3)cc2)CC(C)O1,-1.5050275325775146
CC1(N)CC(NC(=O)N2CCC(C(F)(F)F)CC2)C1,-0.9957069158554077
Nc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.4552786350250244
O=S(=O)(CCc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1,-1.098628044128418
Fc1ccc(-c2cc(NCc3ccc(Br)cc3)ncn2)cc1,-0.9150137305259705
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3849377632141113
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(O)cc1,-1.1685165166854858
Nc1ccc2cc(C(=O)NCc3ccc(Br)cc3)oc2c1,-1.0345792770385742
[NH3+]c1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2690598964691162
NC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1,-1.321789026260376
Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0388751029968262
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.3476158380508423
CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.4628806114196777
O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc2[nH]ccc2c1,-1.1030235290527344
O=C(Cc1ccc(I)cc1)NC[C@@H](O)Cc1ccccc1,-1.4411494731903076
CC(C)(O)CCCNC(=O)C1CCN(c2ccccc2F)CC1,-1.4068573713302612
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210127592086792
CC1(C)CC(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1,-1.5504823923110962
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9846682548522949
O=C(N[C@@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0722976922988892
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4651728868484497
Cc1ccc(-c2ccc(NCc3ccccc3)cc2)cc1C,-1.3260058164596558
O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@@H]1C1CCOCC1,-1.2580498456954956
CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2457304000854492
Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(F)c1,-1.1017942428588867
O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)CCC2,-0.9767699241638184
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5039653778076172
Cn1cnc2ccc(C(=O)NCc3ccc(Br)cc3)cc21,-0.9131953120231628
CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.3083256483078003
C[NH+]1CC[C@H](CNC(=O)Nc2ccccc2F)C1,-1.5878909826278687
O=C(O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1,-1.4683278799057007
O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.482775330543518
Fc1ccc(CNC2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0623247623443604
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0329681634902954
C[C@H]1COCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0549333095550537
Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8832238912582397
Clc1ccccc1Cc1nc2ccccc2n1Cc1ccccc1,-0.8591257333755493
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1,-0.9715145826339722
C[C@@H]1CCC(=O)[C@H]1NC(=O)c1ccccc1-c1ccccc1,-1.1490769386291504
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.32745361328125
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.3531477451324463
Cc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1F,-1.4521867036819458
O=C1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1,-1.4994648694992065
O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-1.280932903289795
Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c2c1,-1.1263984441757202
Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)on3)C2)cc1,-1.2314997911453247
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2744625806808472
Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)nn1,-0.3893207311630249
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8741201758384705
C[C@@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C,-1.1083261966705322
c1ccc(-c2cc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.4769917726516724
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1712982654571533
C[C@@H](Oc1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)O,-1.6072187423706055
O=C(c1cccc(F)c1)N1CCC(CCc2ccccc2)CC1,-1.3009718656539917
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2Br)C1,-0.8831733465194702
Nc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1386269330978394
CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1,-0.5519092082977295
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0575668811798096
CCN1CCN(C(=O)C2CCN(c3ccc(C)cc3)CC2)CC1,-1.043176293373108
CC(C)Cn1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)n1,-1.1731199026107788
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508674621582031
CC(C)[NH+]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2)C1,-1.1167232990264893
Cc1ccc(-c2ccccc2)c(OCc2ccc(F)cc2)c1,-1.3058034181594849
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5759189128875732
CCOc1ccc(NC(=O)C(C)(C)C(C)(C)Br)cc1,-1.3498365879058838
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1F,-0.7172951698303223
Cc1cc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)ccc1O,-1.3154245615005493
O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6612247228622437
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1406257152557373
O=C(CNc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2017961740493774
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)nc2)cc1,-1.2876719236373901
CCOc1ccc(CNc2ccc(F)cc2F)cc1,-1.5531085729599
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700113773345947
[NH3+]Cc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.0734061002731323
Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Br,-1.1492952108383179
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0656170845031738
Cc1ccccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1,-0.9591505527496338
CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5294315814971924
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2nc[nH]c2c1,-1.0728094577789307
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.411190390586853
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1073030233383179
Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(C)C)CC2)cc1,-1.2770298719406128
COc1nn(C)cc1C(=O)NCc1ccccc1,-1.598034381866455
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.1027991771697998
COc1ccc(N2CCN(C(=O)c3ccc(Br)nc3)CC2)cc1,-0.9023773074150085
O=C(COc1ccc(I)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.356233835220337
CC(=O)N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1,-1.4180262088775635
N#Cc1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1,-1.3570585250854492
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.250433087348938
O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9544177055358887
CC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4651638269424438
O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.6794562339782715
C[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)S(C)(=O)=O,-1.418596625328064
CC1CCN(C(=O)NC[C@H](O)Cc2cccc(Br)c2)CC1,-1.2917886972427368
CC1CCC2(C1)CC(C(=O)NCC1CCOCC1)CCO2,-1.5738765001296997
O=C(C[NH+]1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4824438095092773
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067082405090332
Cc1cc(C(=O)Nc2ccc(-c3ccc(Br)cc3)s2)no1,-0.9785059094429016
Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5316738486289978
O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.961997389793396
CC(C)(O)CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.492725133895874
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2257742881774902
O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9962181448936462
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9540358781814575
CCOc1ccc(OCC(O)=Nc2nc3ccccc3s2)cc1,-1.3082195520401
Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc(C)c1O,-0.7569824457168579
C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.31564199924469
Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CCCC[C@@H]2O)cc1,-1.0962399244308472
Cc1ccc(Oc2ccc(CN3CCN(C)CC3)cc2)cc1,-1.49896240234375
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(Cl)cc2)CC1,-0.7651304006576538
COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)c1,-0.8845809102058411
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617065787315369
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312151908874512
CC(=O)c1cc(C)ccc1NC(=O)C[NH+]1CCCCC1,-1.5702829360961914
C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1,-1.5173394680023193
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1999576091766357
Cc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1,-1.677518367767334
c1ccc([C@@H]2CCC[NH+]2Cc2ccc(N3CCCCC3)cc2)cc1,-1.3112471103668213
O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2[nH]1,-0.9389743208885193
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4511730670928955
O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1,-1.5210528373718262
Cc1ccccc1N1CCC(NC(=O)c2ncccc2C)CC1,-0.9580170512199402
Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3795909881591797
CCOC(=O)CCc1ccc(Oc2ccccc2)cc1,-1.6572192907333374
C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CC(F)(F)C1,-1.1957510709762573
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066543817520142
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)nc1,-0.9627856016159058
O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CC12CCCC2,-1.3967684507369995
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.37850821018219
Cc1[nH]ncc1NC(=O)[C@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9449605941772461
C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3721742630004883
O=C(NCc1cccc(Br)c1)N1CCC2(CCOCC2)C1,-1.4634828567504883
Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cn1,-1.557654619216919
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0999970436096191
O=C1CCCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0841426849365234
CC(=O)Nc1ccc(NCC2CCCCC2)cc1,-1.6667227745056152
[O]c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3048325777053833
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cn1,-1.1939460039138794
CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1,-0.8727625012397766
O=C(Nc1ccccc1N1CCOCC1)c1ccc(O)cc1F,-1.0689432621002197
Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1,-1.1544451713562012
Nc1ccc(CC2(O)CCN(Cc3ccccc3)CC2)cc1,-1.544904351234436
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0229976177215576
Nc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.031758189201355
C[NH+]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C1,-1.0107929706573486
O=C(NC1CCCCC1)c1ccc(OCCCO)cc1,-1.6162158250808716
Cc1ccc(CNC2CCOC2c2ccc(F)cc2)c(C)c1,-1.063575029373169
Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0568418502807617
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0586090087890625
[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.018435001373291
Cc1ccc([C@H]2C[NH2+]CC[C@@H]2NC(=O)c2ccccc2Cl)cc1,-0.8891008496284485
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3485969305038452
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.8556439876556396
O=C(Nc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1,-1.1324107646942139
CCOc1ccc(NCc2ccc(Cl)cc2Br)cc1,-1.3510332107543945
Cc1nc2ccc(CNC(=O)c3ccc(Cl)nc3)cc2[nH]1,-0.7760148644447327
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3393378257751465
C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.1440070867538452
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@@H](C)O1,-1.5045877695083618
Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH+](C)C2)CC1,-1.2572269439697266
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1,-1.0441818237304688
O=C(CC1COc2ccccc21)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8336203694343567
Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1,-0.8185001611709595
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.1847155094146729
Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.199059009552002
CCc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.534926414489746
N#Cc1cccc(NC(=O)c2ccc(-c3nccs3)cc2)c1,-1.1756093502044678
COc1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.064749836921692
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.505179762840271
Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cn1,-1.0923525094985962
O=C(CC1CCCCCC1)N[C@H]1CCCN(c2ccccn2)C1,-1.3797578811645508
Fc1cc([C@H]2C[C@H]([NH2+]C[C@@H]3CCCCO3)CCO2)ccc1Cl,-1.1345999240875244
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.053607702255249
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ncccc1Cl,-0.7779253721237183
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.955695390701294
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.6861385107040405
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)n[nH]1,-1.1103380918502808
O=C(NCCc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F,-0.6496793627738953
Cc1cc(C(=O)Nc2nc(C)nn2-c2ccccc2)on1,-1.0215394496917725
O=C(NC[C@H]1CCCOC1)Nc1ccc(Br)cc1,-1.5677660703659058
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(N)n1,-0.8458062410354614
O=C1CCCN(c2ccccc2)C1,-1.8285499811172485
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1910618543624878
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2,-1.1905405521392822
O=C(Nc1ccc(-c2nccs2)cc1)c1cc2ccccc2o1,-1.0844213962554932
CCCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.2849197387695312
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.075920820236206
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908152103424072
Cc1nc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)co1,-1.0047317743301392
CC(=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-1.0159885883331299
CC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1,-1.134828805923462
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0102417469024658
CC(C)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0690205097198486
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0663522481918335
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846272468566895
Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cn1,-1.0903434753417969
CC(C)(O)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.6055148839950562
C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0704206228256226
Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1C,-1.2433598041534424
O=C(COc1ccccc1)N1CCN(c2ccccc2Cl)CC1,-1.2467048168182373
O=C(CN1CCCCC1=O)N[C@@H]1CC[C@H](c2ccccc2)C1,-1.4241435527801514
c1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1,-1.0687364339828491
Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1F,-0.7235053777694702
Cc1cc(C(=O)Nc2scnc2-c2ccc(Cl)cc2)no1,-0.8784265518188477
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nc[nH]c2c1,-0.845131516456604
O=C(N[C@@H]1C(=O)NCC[C@H]1c1ccccc1)c1ccccc1,-1.2718958854675293
Nc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-0.9756573438644409
CS(=O)(=O)C1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.1136969327926636
NS(=O)(=O)[C@H]1CCCN(C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0964683294296265
Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4072612524032593
Nc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cn1,-1.060788869857788
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-0.9772555232048035
Cn1nnnc1-c1ccc(NC(=O)c2cc(Cl)ccc2N)cc1,-0.5428909063339233
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839886903762817
C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1,-1.0893551111221313
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1118254661560059
COc1ccc(NC(=O)C(C)(C)C(=O)N2CCC(C)CC2)cc1,-1.1525136232376099
O=C(CN1CCCCC1)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.257950782775879
O=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ccc2c1,-0.9017986059188843
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.195404052734375
CCc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1452606916427612
Cc1ccc(CNC(=O)c2cnc3nccn3c2)cc1Br,-0.812475323677063
Cc1ccc2oc(CNC(=O)c3ccc(F)cn3)nc2c1,-0.9832512736320496
Cc1cnc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1,-0.867005467414856
C[C@@H]1CN(c2ccc(NCc3ccccc3)cn2)C[C@@H](C)O1,-1.425506353378296
Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c(C)n1,-0.9882022142410278
O=C(CNCc1ccccc1)Nc1ccccc1,-1.730921983718872
C[C@@H]1CN(C(=O)[O-])C[C@@H](C)O1,-1.8633109331130981
O=C(CCC1CC[NH2+]CC1)Nc1ccccc1N1CCOCC1,-1.5413843393325806
CC[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.906391441822052
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1378308534622192
C[NH+]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3452354669570923
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.191748857498169
CCC1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0312384366989136
C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)[O-],-0.8504311442375183
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2500929832458496
Cc1ccccc1NC(=O)N1CCC(CCCC(=O)[O-])CC1,-1.5252147912979126
Cc1nc(C(=O)N[C@H]2CCC[C@@H](c3cnn(C)c3)C2)cs1,-0.9395753145217896
C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.5341538190841675
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.136927843093872
C[C@H]1CCC[C@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)C1,-1.0337218046188354
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9941942691802979
O=C(Cc1ccccc1)N1CCN(Cc2ccc(O)cc2)CC1,-1.4849913120269775
CCc1ccc(NC(=O)N2CCCC[C@H]2S(C)(=O)=O)cc1,-1.427304744720459
C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2cccs2)C[C@@H](C)O1,-1.2692664861679077
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1236824989318848
O=C(c1ccc(Oc2ccccc2)cc1)N1CCCC(O)CC1,-1.4765328168869019
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0889346599578857
Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.296120285987854
O=C(NCc1cccc(O)c1)N1CCC2(CC1)OCCO2,-1.6331157684326172
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1139487028121948
CN1CCCC(NC(=O)C2CCN(c3ccc(F)cc3)CC2)C1,-0.9875786900520325
Fc1ccc(C[NH+]2CCC[C@H](Cc3ccc(I)cc3)C2)cc1,-1.2750567197799683
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.896787703037262
c1ccc(COc2cc3ccccc3cc2-c2ccccc2)cc1,-1.2618054151535034
O=C(NCc1ccc2c(c1)CCCN2)c1cccc(F)c1,-1.1197010278701782
Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9365057945251465
CC1CCCN(CC(=O)NCC(O)c2ccc(Cl)cc2)C1,-1.4514076709747314
O=C(Nc1ccccc1C1CCOCC1)NC1CC2(CCC2)C1,-1.4673348665237427
Cn1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2cccc(Cl)c2)n1,-1.0712956190109253
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0314364433288574
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)C1,-1.005217432975769
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0023056268692017
O=C(NCc1cc2ccc(Br)cc2o1)c1ccc(O)cc1,-1.1213703155517578
CC(C)(C)C(=O)CNCc1ccc(C2CCCCC2)cc1,-1.4311816692352295
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9672956466674805
Cn1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1,-0.9621149897575378
O=C(CC1CCCCC1)Nc1ccc(N2CCOC2=O)cc1,-1.4824188947677612
COc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1,-1.4381964206695557
O=C(NCc1ccc(Cl)nc1)N1CCOC2(CCCC2)C1,-1.4552793502807617
C[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.075951337814331
Cc1ccc(OCc2ccc(N3CCC(O)CC3)cc2)cc1,-1.4754014015197754
Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)no1,-0.8509097695350647
Cn1cc2c(n1)CCN(C(=O)NCc1cccc(F)c1)C2,-0.9299893379211426
Cc1ccc(C(=O)N(C)C(C)Cc2ccc(F)cc2)cc1,-1.1154441833496094
Cc1ccc(CN2CCN(C(=O)c3ccccc3Br)CC2)cc1,-0.9968064427375793
O=C(COC[C@H]1CCCCO1)Nc1ccccc1,-1.7474032640457153
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8741800785064697
FC(F)COc1ccc(CN2CCCC3(CCCC3)C2)cc1,-1.5002769231796265
Oc1nc(Cl)cc(-c2ccc(OCc3ccccc3)cc2)n1,-1.0464305877685547
C[C@@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(Cl)cc1,-1.2761402130126953
Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1499634981155396
O=C(Nc1ccccc1F)C1CCN(c2ccc(Br)cc2)CC1,-0.9603767991065979
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2008692026138306
Cc1ccc(N)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.110612392425537
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2971317768096924
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.994591236114502
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nn1,-0.8766733407974243
Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.054787039756775
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5042827129364014
O=C(Cc1ccccc1)NCc1nc2ccc(Br)cc2o1,-1.3781864643096924
Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Br,-1.156799554824829
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1474971771240234
CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0587810277938843
CCCc1ccc(NC(=O)c2ccc(OC)cc2)cc1,-1.570169448852539
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0628163814544678
CC1CC[NH+](CC2CCN(C(=O)c3ccccc3Cl)CC2)CC1,-0.9494533538818359
Cc1ccc(NCc2ccccc2-c2ccccc2)cc1Cl,-1.1130712032318115
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.9136598706245422
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961417078971863
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431992053985596
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.1080174446105957
Cn1cc(C(=O)N2CCC[C@@H](C3CCOCC3)C2)c(-c2ccccc2)n1,-0.9281537532806396
O=C(c1ccccc1O)N1CCC(Cc2ccc(F)cc2)CC1,-1.1051139831542969
COc1ccc(CNc2cc(O)ccc2OC)cc1,-1.5801280736923218
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5191617012023926
Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1N,-1.0839579105377197
COc1ccc(C(=O)NCc2cc(Br)no2)cc1,-1.559393048286438
C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)C1,-1.040204405784607
O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccccc2)CC1,-1.0967143774032593
c1ccc(Cc2nc([C@@H]3CCCN(c4ccccc4)C3)no2)cc1,-1.2143900394439697
Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccccc3F)C2)cc1,-1.1490936279296875
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5417805910110474
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140265464782715
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0081241130828857
Nc1ccc(C(=O)NC2CC(c3cccc(F)c3)C2)cn1,-1.0193089246749878
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.321927785873413
O=C(NCCC1CCCCC1)C(=O)N1CCc2ccccc21,-1.2528244256973267
Cc1ccc(C2CCCCC2)c(NCc2ccc(Cl)cc2)c1,-1.0843889713287354
Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)oc2c1,-1.0872231721878052
c1ccc(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1,-1.3102242946624756
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N3)cc1,-1.2993301153182983
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.255314826965332
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.8683879971504211
C[C@@H]1C[C@@H](NC(=O)NCCc2ccns2)CCO1,-1.6175017356872559
O=C(NCc1ccc(I)cc1)c1ccc2c(c1)CCCC2,-1.0254762172698975
Cc1cc(C(=O)Nc2scnc2-c2ccc(F)cc2)n[nH]1,-0.8365219235420227
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.075231671333313
O=C(NCc1ccc(Cl)cc1)[C@@H]1CC2(CCOCC2)CO1,-1.5200544595718384
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.141494631767273
CCNC(=O)N[C@H]1CCC[C@H]1c1ccc(Br)cc1,-1.4740194082260132
Fc1ccc2nc(N3CCC(Cc4ccc(F)c(F)c4)CC3)sc2c1,-0.2710643410682678
CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.0322849750518799
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1I,-0.9493629932403564
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.342081904411316
Cc1ccn2c(C(=O)NCc3ccccc3)c(C)nc2c1,-1.0485258102416992
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4746376276016235
CCn1ccnc1CNC(=O)[C@@H]1CCC[NH+](C)C1,-1.4333481788635254
Cc1ccc(CN2CCN(Cc3ccc([NH3+])cc3)CC2)cc1,-1.46915602684021
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0520490407943726
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1,-1.0460100173950195
Cc1nc2ccc(NC(=O)N[C@@H]3CCC[NH+](C)C3)cc2[nH]1,-1.009474754333496
O=C(C1=CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1,-0.8667793869972229
O=C(c1ccc(F)cc1)N1CCOC[C@H]1CCc1ccccc1,-1.4967037439346313
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3319075107574463
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3000962734222412
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1,-1.0104928016662598
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1919949054718018
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0453903675079346
C[C@@H]1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3851923942565918
O=C(NCCc1ccccc1)N1CCOC2(CCCCCC2)C1,-1.571210265159607
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885559439659119
c1ccc(-c2ccccc2)cc1,-1.9113537073135376
CS(=O)(=O)C1CCN(C(=O)[C@@H]2CCO[C@H](c3ccccc3)C2)CC1,-1.2369848489761353
C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0559756755828857
CC(C)(C)OC(=O)N1CCC(c2ccc(I)cc2F)CC1,-0.9182385206222534
Cc1cc(O)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-1.179962396621704
CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)CC1,-1.4945110082626343
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9654480218887329
CC(C)(CCCC(=O)[O-])NC(=O)Nc1ccc(Br)cc1,-1.4816620349884033
C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.2612718343734741
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(Cl)cc2)CC1,-0.8263052105903625
O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313292860984802
Cc1cc(C(=O)NC2CCC(C(N)=O)CC2)ccc1Cl,-0.92718505859375
Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)no1,-0.9246842861175537
CCCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.130584955215454
Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1,-1.1662003993988037
Cn1ccc(C(=O)NCCC(=O)c2ccc(Br)cc2)n1,-1.188502311706543
CC1(C)COCCN1C(=O)NC1CCN(c2ccccc2)CC1,-1.3761935234069824
O=C(O)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,-1.0065139532089233
CC(C)(C)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1,-1.5347000360488892
CCCCC1CCN(C(=O)C(=O)NC2CCCN(C)C2)CC1,-1.2809878587722778
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4608451724052429
Nc1ccc(NC(=O)NCC2CCCC2)c(F)c1,-1.430538535118103
O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(O)cc2)CC1,-0.9696803092956543
Clc1ccc(OCCNCCc2ccccc2)cc1,-1.6371203660964966
CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.5269153118133545
Cc1ccccc1N1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.1726831197738647
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(O)cc1,-1.1824238300323486
CCNCC(C)Oc1ccc(N2CCCCC2)cc1,-1.6269562244415283
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599918723106384
O=C(NCC1(O)CCOCC1)NC1CCCCC1,-1.7336971759796143
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1,-1.2028322219848633
Cc1cc(F)cc(F)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.337345153093338
Cc1ccc(NC(=O)N2CCC(C(C)(C)C)CC2)c(C)c1,-1.0047236680984497
C[C@H](C(=O)NC1CCN(c2ccccc2)CC1)C1CCCCC1,-1.2542940378189087
Cc1ccccc1N1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.1745728254318237
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0243908166885376
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.376962423324585
CCc1ccc([C@H]2CCC[C@@H]2NC(=O)CCCC(N)=O)cc1,-1.3262056112289429
C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3)CC2)CCO1,-1.4394659996032715
NC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1,-1.1646822690963745
CCN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.4059224128723145
O=C(c1c(F)cccc1F)N1CCC(Cc2ccccc2)CC1,-0.9735537767410278
Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1504075527191162
O=C1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1,-1.320197343826294
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5247063636779785
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(F)c1,-1.1164120435714722
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2952170372009277
CC1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2751224040985107
CN1CCN(Cc2ccc(F)cc2)C(Cc2ccccc2)C1,-1.3510894775390625
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2097262144088745
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258815050125122
Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.387526512145996
O=C(CCC1CCCCC1)N[C@@H]1CCN(CC(F)(F)F)C1,-1.417176365852356
Cc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.2371211051940918
Cc1ccc(NCc2cccc(N3CCOCC3)c2)cc1Cl,-1.1894797086715698
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9941677451133728
Cc1ccc2oc(C(=O)NCc3ccc(N)cc3)cc2c1,-1.1679713726043701
CC(C)N=C(O)CNC(=O)c1cccc(N2CCCCC2)c1,-1.3195160627365112
Cc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)no1,-1.13041353225708
CC(C)c1cc(N)ccc1NC(=O)C1CC[S+]([O-])CC1,-0.9549732804298401
CN(Cc1noc(-c2ccc(Cl)cc2)n1)C(=O)C(C)(C)C,-0.8290800452232361
Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)no1,-1.1671996116638184
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1c[nH]c2ccccc12,-1.0753213167190552
Cc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1Cl,-1.1084036827087402
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-1.015695571899414
CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)cc2)CC1,-1.2331295013427734
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653545022010803
CN(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.0933630466461182
O=C(Nc1ccc(Br)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8137674927711487
O=C(NCCc1ccccc1)N1CCC[C@@H](C2CCOCC2)C1,-1.491227388381958
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502578496932983
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.08540678024292
O=C(NCCCN1CCOC2(CCCCC2)C1)c1ccccc1,-1.5727688074111938
O=C(NC1CCN(c2ccccc2)CC1)N1CC2CC[NH+]1CC2,-1.0856071710586548
COC(=O)N[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1,-1.5833086967468262
O=C(Nc1ccc(N2CCCOC2=O)cc1)c1ccccc1,-1.5451116561889648
Cc1nn(C)cc1C(=O)NCCCc1ccc2ccccc2c1,-0.9803346395492554
O=C(NC[C@H]1CCC[NH+](C2CC2)C1)C1CCCC1,-1.5947930812835693
Cc1cc(NC=O)n(-c2ccccc2)n1,-1.7533525228500366
CN1CC[NH+](C[C@@H]2CCC[C@H](Nc3ccc(Cl)cc3)C2)CC1,-1.2882198095321655
Cc1ccc(-c2ccc(COc3ccccc3)cc2)cc1Br,-1.2115627527236938
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(O)c1,-1.537936806678772
COc1ccc(C(C)NCc2cccc(C)c2)cc1,-1.5751756429672241
CC1(C)CCC[C@H]([NH+]2CC(NC(=O)[C@H]3CCCOC3)C2)C1,-1.4310470819473267
NC(=O)c1ccc(CC(=O)Nc2ccc(F)cc2)cc1,-1.5586087703704834
Cn1cc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.8639649748802185
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210171699523926
Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9947110414505005
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9799174070358276
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.194519281387329
CN1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1844781637191772
Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1,-1.0449376106262207
COc1ccc(C(=O)N2CCC[C@@H](C(O)=Nc3nnc(C)s3)C2)cc1,-0.6658657789230347
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0881917476654053
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2727181911468506
O=C(c1cccc(F)c1)N1CCC[C@H]([C@@H](O)c2ccccc2)C1,-1.142662525177002
Fc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3215891122817993
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.4426980018615723
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.0199761390686035
O=C(C1CCCc2ccccc21)N1CCN(Cc2ccc(O)cc2)CC1,-0.8617895841598511
Cc1nc([C@@H]2CCC[C@H]2NC(=O)c2ccc(F)cc2)no1,-0.9903112053871155
O=C(NC1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)cc1,-1.127605676651001
c1ccc(CNCC2CC(c3ccccc3)C2)cc1,-1.6505526304244995
O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9692918658256531
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.197153925895691
Cc1cc(NCc2ccc(-c3ccccc3)cc2)nc(C)n1,-1.0774192810058594
Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1004084348678589
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.5017632246017456
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1778759956359863
Fc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.1605652570724487
Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1,-1.2082655429840088
CCC[C@H]1CCCN(C(=O)N[C@@H]2CCCC3(CCOCC3)C2)C1,-1.4864698648452759
Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.095576286315918
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4643337726593018
Nc1ccc(C(=O)N2CC(Nc3ccc(Br)cn3)C2)cc1,-0.9536759853363037
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2467045783996582
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1187142133712769
Cc1csc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)n1,-0.9506419897079468
O=C(Cc1ccc2c(c1)OCCO2)NCC1CC[NH2+]CC1,-1.5249496698379517
CC(C)(C[NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.5003468990325928
CC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1,-0.6323935985565186
CC(C)C(=O)N1CCCC[C@@H](C)C1,-1.7325115203857422
Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.1669285297393799
O=C(Nc1ccc(F)cc1)N1CC[NH+](CC(F)(F)F)CC1,-1.0897859334945679
Cc1ccc(CCC(=O)NCc2cccc(O)c2C)cc1,-1.4991438388824463
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9669651985168457
CC(=O)NCCCNC(=O)c1cc(C)sc1C,-1.4207398891448975
CC(C)[C@@H](C)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1,-1.022459626197815
Nc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-0.994502067565918
O=C(N1CCC(c2ccc(F)cc2)CC1)N1CCCC2(CCCCC2)C1,-0.9213519096374512
O=C(C[NH+]1CCC2(CCCCC2)C1)NCc1ccccc1,-1.6228594779968262
CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.6891539096832275
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.094128966331482
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9990872740745544
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3426541090011597
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1533061265945435
O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.3103783130645752
O=C(NCc1cccc(I)c1)c1ccc2c(c1)OCCO2,-1.178673505783081
Cn1ncc2c1CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.81800377368927
O=C(N[C@@H]1CCCCC1=O)c1ccc(N2CCOCC2)cc1,-1.3523786067962646
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2799911499023438
C[C@@H](CC(=O)N1CCCCC1)NC(=O)c1ccc(Br)cc1O,-1.0950521230697632
Cn1ccc(NC(=O)c2cc(-c3cccc(F)c3)on2)n1,-1.1100242137908936
CN1CC[NH+](CCCNC(=O)c2ccc(F)c(Cl)c2)CC1,-1.0335626602172852
CC1(O)CCCC[C@H]1NC(=O)c1ccccc1-c1ccccc1,-1.333369493484497
CCOc1ccc(NC(=O)c2cc(C)sn2)cc1,-1.528121829032898
CC(C)(C)NC(=O)c1ccc(C(=O)CC(=O)O)cc1,-1.501566767692566
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517642021179199
Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0513893365859985
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238644123077393
Cc1ccc(O)c(OC(=O)c2ccc(C(F)(F)F)cc2)c1,-1.1643645763397217
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3055051565170288
C[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1,-0.9828525185585022
Cc1cccnc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1,-0.9497995972633362
Clc1ccc(N2CCC(NCc3cccc(Br)c3)CC2)cc1,-0.9638496041297913
Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.1585547924041748
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CCC12CCCC2,-1.2407095432281494
O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1,-1.3551595211029053
O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)[C@H]1CC=CCC1,-1.2059712409973145
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.152846336364746
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.1592556238174438
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.099689245223999
C[NH+]1CCCC2(CC[NH+](CC(=O)NCc3ccccc3)CC2)C1,-1.5230921506881714
Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)o1,-1.141740322113037
Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(Br)cc2)cc1,-1.1799787282943726
Cc1ccc(CNc2ccc(-c3ccc(C)cc3)nn2)cc1,-1.1260833740234375
CC(C)(O)C[NH+]1CCC[C@H](NC(=O)c2ccc(Br)cc2)C1,-1.3720674514770508
COc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.549135446548462
Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.035890817642212
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.9129287600517273
Cc1ccccc1CCNC(=O)N[C@@H]1CCCC[C@H]1O,-1.5501558780670166
O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccc2ccccc12,-1.435400128364563
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2977834939956665
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7382054924964905
OC1=NCCN(Cc2ccccc2)C1C(O)=NCc1ccc(F)cc1,-1.0333207845687866
Cc1ccc(NC(=O)CN2CCC(c3ccccc3)CC2)cc1,-1.4327071905136108
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9720532894134521
O=C(Cc1nc2ccccc2o1)NCc1ccc(O)cc1,-1.4351483583450317
O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1,-1.090793490409851
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1099064350128174
O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1F)C1CCOCC1,-0.9599170088768005
O=C(NC1CCC=CCC1)N1CCC[C@H]1c1ccc(F)cc1,-1.2571803331375122
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0354232788085938
Cc1nc2c(C(=O)NCc3ccc(F)cc3)cccc2[nH]1,-0.9031862020492554
Cc1ccc(C2CC(NC(=O)c3ccc(N)cc3)C2)cc1,-1.2025724649429321
Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.3126952648162842
C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.5981167554855347
CCN1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)CCC1=O,-0.8650566935539246
O=C(NC[C@H]1C[C@@H](O)C1)N[C@@H]1CC12CCC2,-1.698382019996643
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.1821322441101074
Cc1ccc(CNC(=O)N2CCn3ccnc3C2)cc1Cl,-0.8315269947052002
CN1C[C@@H](CNc2ccc(-c3ccccc3)cc2)CC1=O,-1.4711458683013916
CS(=O)(=O)CCN1CCC[C@@H](C(=O)NC2CCOCC2)C1,-1.5503100156784058
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874274134635925
O=C(c1ccccn1)N1CCN(CCc2ccc(F)cc2)CC1,-1.2134859561920166
O=C(NC1CCCC1)N1CCC([NH+]2CCCC23CCCC3)CC1,-1.2411147356033325
Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9376469850540161
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2[nH]1,-1.1618890762329102
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.939124345779419
CC[C@H]1CCCN(C(=O)Nc2ccccc2S(C)(=O)=O)C1,-1.3834134340286255
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.23837411403656
O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.4381296634674072
C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.394765853881836
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9484911561012268
O=C(NCC(O)=NCc1ccc(Cl)cc1)c1ccccc1Cl,-1.0957939624786377
Cc1ccc(CNC(=O)N2CCC3(CC[NH+]CC3)C2)cc1,-1.5514494180679321
NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4244561195373535
C[C@H]1CCCCN(C(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)C1,-0.8192343711853027
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863728642463684
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0803380012512207
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1070034503936768
C[C@H](OCc1ccccc1Br)C(=O)N1CCC(C)(O)CC1,-1.3714685440063477
Cc1ccc(O)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.2178715467453003
CC(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.4313722848892212
CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3404263257980347
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5683262348175049
C[C@H]1COCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4754866361618042
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.5184409618377686
C[NH+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1,-1.1217278242111206
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.9303725361824036
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.0576173067092896
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3317880630493164
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4355415105819702
Cc1cnccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-0.975768506526947
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.987761914730072
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.208342432975769
CCCCC1(O)CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1,-1.0466969013214111
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.093359112739563
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1481220722198486
Cc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)no1,-1.105753779411316
Cn1c(C(=O)NCc2ccccc2)cc2ccccc2c1=O,-1.1566402912139893
CC(C)C(=O)Nc1ccc(C[NH+]2CCCC(=O)C2)cc1,-1.5165903568267822
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(Br)cc1,-1.1688472032546997
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.1800205707550049
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3317698240280151
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.5175846815109253
O=C(NC[C@H](O)Cc1cc(F)cc(F)c1)c1ccccc1,-1.5252219438552856
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.882649302482605
CS(=O)(=O)c1ccccc1CNCc1ccc(F)cc1,-1.5180717706680298
CCCNC(=O)N1CCC(c2ccc(OC)cc2)CC1,-1.5814961194992065
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0332533121109009
Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568351745605469
O=C(c1ccc(Br)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2602459192276
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2323161363601685
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9772117137908936
O=C(NC[C@H]1CCOC1)[C@@H]1C[C@H]1C1CCCCC1,-1.601897954940796
O=C(Nc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1,-0.70771324634552
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431889533996582
Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1,-1.4212303161621094
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1480464935302734
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9892471432685852
Nc1cccc(CNc2ccccc2-c2ccc(F)cc2)c1,-1.1743881702423096
O=C(NC[C@H]1CCCCO1)Nc1cccc(Br)n1,-1.532994270324707
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1584619283676147
Cc1ccc(Br)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9605242609977722
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0575146675109863
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547728776931763
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1286643743515015
Cc1ccc(NC(=O)c2ccc(N)cc2)cc1-c1ccccc1,-1.1166185140609741
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531944513320923
O=C(Cc1cccc(Br)c1)NC[C@H](O)Cc1ccccc1,-1.4865421056747437
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-1.077634334564209
CCc1ccc(OC(=O)CN=C(O)Cc2ccccc2)cc1,-1.560280203819275
CC(C)C(C)C(=O)c1ccccc1OCc1ccccc1,-1.4133574962615967
O=C(NCCc1ccccc1O)Nc1ccccc1F,-1.5837270021438599
COc1ccccc1CC1CCN(C(=O)C(C)(C)C)CC1,-1.2702946662902832
CCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2O)CC1,-1.048396348953247
CC1(C)CC[C@H](C(=O)Nc2ccn(-c3ccccc3)n2)C1,-1.3662904500961304
Cc1ccc(C)c(NC(=O)c2cccc(-c3ccccc3)c2)c1,-1.2742316722869873
c1ccc(-c2ccccc2)cc1,-1.911352515220642
OC(CSCc1ccc(Br)cc1)=NCc1ccc(F)cc1,-1.4385758638381958
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1,-1.1940288543701172
Fc1ccc(N2CC[C@H]3C[NH+](Cc4ccc(F)c(F)c4)C[C@H]3C2)cc1,-0.5244717001914978
CC1CN(C(=O)NC(C)c2ccc(F)cc2Cl)CC(C)O1,-0.8424492478370667
O=C(Cc1ccc(Cl)cc1)N[C@H]1CCO[C@H]1c1cccs1,-1.3021003007888794
Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2332545518875122
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4062294960021973
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1C,-1.4398483037948608
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.038917899131775
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9064004421234131
O=C1CC[NH+](CC(=O)NCc2ccc([O-])cc2)CCN1,-1.5659722089767456
O=C(Nc1cc(Cl)ccc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.8184025883674622
O=C(NCCCF)[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.589266300201416
O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9775229692459106
O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4097421169281006
O=C(N[C@H]1CC[NH+](Cc2ccccc2Cl)C1)C1=CCOCC1,-1.311882734298706
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.00147545337677
O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(F)cc1F,-0.877494215965271
CC(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0046637058258057
Cc1cc(C(=O)NC[C@H]2C[C@H]3CCCC[C@@H]3O2)ccc1F,-1.075584053993225
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2)CC1,-0.9942994713783264
O=C(Nc1ccc(N2CCCCC2)cc1)C1CC2(CC2)C1,-1.4740077257156372
CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.4087014198303223
CC(O)=Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1,-0.9678083658218384
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-0.9590692520141602
O=C(O)NCc1ccc(CN2CCCCC2)cc1,-1.7172231674194336
Cc1ccc(CN2CCN(Cc3ccccc3)C(C)C2)cc1,-1.4495214223861694
Nc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1,-0.8902115821838379
Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2cccs2)n1,-1.0067180395126343
CN1CCN(c2ccc(COc3ccc(Br)cc3)cc2)CC1,-1.2408535480499268
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0295076370239258
Cc1c(N)cccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0477385520935059
Cc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)sc1C,-0.9000447988510132
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0324585437774658
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0982755422592163
O=C(c1ccccc1-c1nn[n-]n1)N1CCN(CC(F)F)CC1,-0.7225143909454346
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3849339485168457
C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1c1ccc(F)cc1,-0.8182759881019592
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.1970676183700562
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9876528978347778
Cc1ccc(C[NH+]2CCN(C(=O)c3nonc3C)CC2)c(C)c1,-0.8213106989860535
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2755736112594604
COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)C[C@@H]2C)cn1,-0.8637275695800781
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.3299821615219116
O=C(Nc1ccccc1)C1CCN(c2ccc(F)cc2F)CC1,-0.9262908101081848
O=C(Cc1ccc(I)cc1)NC[C@@H](O)Cc1ccccc1,-1.4435560703277588
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1CCC(c2cccc(F)c2)CC1,-0.9117786884307861
Cc1ccc(C(=O)NCc2nc3cc(Br)ccc3[nH]2)cn1,-0.7325184345245361
O=C(C[NH+]1CCc2ccccc2C1)NCc1ccc(Br)cc1F,-0.8548945784568787
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0937126874923706
CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C)c(F)c2)CC1)C(C)C,-0.783418595790863
CC1(C)CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)C1,-1.0027527809143066
Cc1nsc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1,-0.7210661172866821
Cc1ccc(C(=O)NCC(=O)c2ccccc2)cc1Cl,-1.2526378631591797
Cc1ccc(-c2ccc(OCc3ccccc3)cc2)c(C)c1,-1.3844971656799316
Fc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)cc1,-1.1213229894638062
C[NH+]1CCCN(C(=O)N[C@H]2CCCO[C@@H]2C2CCCCC2)CC1,-1.3279186487197876
O=C(NC1CCOCC1)N1CCN(c2ccc(F)cc2F)CC1,-1.0400936603546143
O=C(Nc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1,-1.2934973239898682
Cc1cc(C(=O)Nc2n[nH]c(-c3cccc(Br)c3)n2)n[nH]1,-0.7033780217170715
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8922154307365417
O=C(Nc1ccccc1F)C1CCN(c2ccc(Br)cc2)CC1,-0.8731229901313782
Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1141537427902222
Cn1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)n1,-1.1543002128601074
N=C(O)COc1ccc(Nc2ccc3c(c2)OCO3)cc1,-1.5242022275924683
C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1,-1.4050915241241455
C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.1118550300598145
[NH3+][C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2220524549484253
Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.0998620986938477
O=C1CC[C@@H](Cc2ccccc2)N1Cc1ccc(Br)cc1,-1.460200548171997
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1ccccc1,-1.595957636833191
Cc1ccccc1N1CCC(NC(=O)[C@H]2CCC[NH+](C)C2)CC1,-1.0219957828521729
C[NH+]1CCC[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-1.04926335811615
O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6611206531524658
Nc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-0.9771774411201477
CCC1CCC(NC(=O)Nc2cc(C)on2)CC1,-1.5962790250778198
Cn1nc(C(=O)NCc2ccc(F)cn2)c2ccccc21,-0.8368654847145081
O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.1793293952941895
Cc1ccccc1NC(=O)N1CCC(c2ccc(O)cc2)CC1,-1.1391956806182861
O=C(NC1CCN(c2ccccc2F)CC1)C1CCC(F)CC1,-0.9512492418289185
O=C(O)N1CCN(Cc2ccc(N3CCCC3=O)cc2)CC1,-1.2626352310180664
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567829370498657
Cc1cc(-c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1,-1.143397569656372
CCCC(=O)NC1CC[NH+](Cc2ccc3ccccc3c2)CC1,-1.4657282829284668
O=C(Cc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1,-1.3329566717147827
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Cl,-0.8131175637245178
C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5044664144515991
O=C(Nc1ccc(F)cc1)N1CCN(c2cccc(F)c2)CC1,-1.0298634767532349
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0304373502731323
Fc1ccc(CSc2nc(-c3ccc(Cl)cc3)no2)c(F)c1,-0.7993271946907043
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3624447584152222
COc1cccc(CNc2ccc(Cl)cc2OC)c1,-1.4671778678894043
O=C(C[NH2+][C@@H]1CCC2(CCCCC2)C1)Nc1ccccc1,-1.61220383644104
O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CC[NH+](C2CCCCC2)C1,-1.097768783569336
CCc1ccc(C(=O)N[C@@H](C)C(O)=NC2CCCCC2)cc1,-1.4691811800003052
O=C(CCc1ccc(F)cc1F)OCc1ccc(O)cc1,-1.3621845245361328
CN(C(=O)N1CCN(c2cccc(F)c2)CC1)c1ccccc1,-1.0817142724990845
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0436065196990967
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2473629713058472
Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.0422337055206299
O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccccc2)CC1,-1.2764443159103394
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1885708570480347
O=C(NCc1cccc(O)c1)c1cc2ccc(Br)cc2s1,-0.9213091135025024
CCCC(=O)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1,-1.3424382209777832
Cc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1,-1.1626940965652466
Cc1cc(N2CCC(OCc3ccccc3)CC2)nc(C)n1,-1.0984147787094116
C[Si](C)(C)c1ccc(CC(=O)NCc2ccccc2)cc1,-1.5237705707550049
O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7452389597892761
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9919676184654236
Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cn1,-1.1764442920684814
O=C(NCC(O)=NCCc1ccccc1)c1ccc(O)cc1,-1.5388305187225342
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.314493179321289
O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0623040199279785
O=C(N[C@@H]1C[C@H]2CCC[NH+]2C1)c1ccc(-c2ccccc2)cc1,-1.2026418447494507
C[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1c1ccc(F)c(F)c1,-0.503811240196228
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.3109885454177856
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9745705127716064
Cc1ccc2nc(CNC(=O)c3ccc([O-])cc3)[nH]c2c1,-1.0243383646011353
O=C(Nc1nc2ccccc2o1)c1ccc(-c2ccccc2)o1,-1.2272065877914429
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.3413301706314087
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8894801139831543
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000478506088257
O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5026359558105469
Fc1ccc(C[NH+]2CCN(C[C@@H]3CCCCO3)CC2)cc1Cl,-1.1678519248962402
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([O-])cc1,-1.2454973459243774
C[C@@]1(O)CCN(C(=O)Nc2csc(-c3ccccc3)n2)C1,-1.3875255584716797
Cc1nocc1C[NH+]1CCN(C(=O)C2CC(F)(F)C2)CC1,-1.0589925050735474
C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0757675170898438
Clc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.119763731956482
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1900084018707275
Cc1cc(C)c(O)c(C(=O)NCCc2cccc(Br)c2)c1,-1.0671861171722412
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1O,-0.9354440569877625
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.197874903678894
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2985212802886963
CC(=O)Nc1ccc(C(=O)N2CC(C3CCOCC3)C2)cc1,-1.3149334192276
Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)n1,-0.9085174798965454
Cc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.370100975036621
O=C(NC[C@@H](O)N1CCC2(CCC2)C1)c1ccc(Br)cc1,-1.2415311336517334
Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1501983404159546
CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1,-1.2653181552886963
C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1c1ccc(F)c(F)c1,-0.4680594503879547
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9379037022590637
CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.937122642993927
Cc1ccc2nc(CC(=O)NCc3ccccc3)[nH]c2c1,-1.2813924551010132
O=C(NCCc1ccc(Br)cc1)c1ccc2c(c1)OCO2,-1.2323240041732788
O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1345343589782715
CC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.7218226194381714
CC(C)c1cc(F)c(NC(=O)c2ccc(F)cc2)cc1Br,-0.5869008302688599
Cc1cc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.2236233949661255
OC(Cc1ccc(OCc2ccccc2)cc1)=NC1CCNC1,-1.5651664733886719
Cc1ccc([C@@H]2C[C@H](C(=O)NC3CCCCCC3)CCO2)cc1,-1.3920791149139404
CC(C)N(C)C(=O)CN1CCC(c2ccc(N)cc2)CC1,-1.066752552986145
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.013331651687622
O=C(CCc1ccccc1)Nc1ccc(-c2ccccn2)cc1,-1.4958765506744385
C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0300517082214355
Cc1ccc(-n2nccc2NC(=O)C2CCN(C)C2)cc1,-1.1499415636062622
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2926301956176758
O=C1CCC(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1,-1.303807258605957
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8894339799880981
O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1,-1.2199712991714478
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)o1,-1.127716302871704
Cc1ncc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9325082898139954
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.150329828262329
CC(C)C(=O)Nc1ccc(C[NH+]2CCNC(=O)C2)cc1,-1.488656997680664
O=C([O-])c1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1,-1.005448341369629
Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.044792890548706
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cn1,-1.4223953485488892
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.989812970161438
CN1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.5236265659332275
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0079764127731323
Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0273104906082153
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399694442749023
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5076732635498047
c1ccc(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1,-1.181110143661499
O=S(=O)(c1ccc(Br)s1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8728236556053162
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975748419761658
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.537835955619812
Cc1ccc(CNC(=O)N2CCc3cc(Cl)ccc32)cc1,-0.9751824736595154
O=C1NCc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c21,-0.611771821975708
Cc1ccc2cc(CNS(=O)(=O)c3cccc(F)c3)ccc2n1,-0.9578710794448853
O=C(CCc1ccccn1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.4236286878585815
O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCOCC2,-1.4834940433502197
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2877633571624756
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.125452995300293
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0811519622802734
C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCC3)CC1,-1.1986351013183594
Cc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1,-1.1565957069396973
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.339900255203247
Nc1cccc(CNC(=O)N2CCC3(CCCC3)CC2)c1,-1.5244163274765015
c1ccc(-c2ccc(Cc3nc(-c4ccccc4)no3)cc2)cc1,-1.2441214323043823
N#Cc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1,-1.3150107860565186
C[NH+]1CCC(CNC(=O)Nc2ccccc2)CC1,-1.6737141609191895
O=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1F,-1.3607196807861328
C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccncc3)C2)CC1,-1.5301828384399414
Cc1cccc(C(=O)N2CCC(Oc3ccccc3F)CC2)c1,-1.146864891052246
O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1,-1.1907930374145508
C=CCN=C(O)C(C)NCc1ccc(-c2ccccc2)cc1,-1.4989616870880127
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3628756999969482
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9887644648551941
Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1C,-1.2014873027801514
CC(C)Oc1ccc(NC(=O)c2ccoc2)cc1,-1.659377932548523
Cc1ccccc1CNC(=O)N1CCOC2(CCCCCC2)C1,-1.551890254020691
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]2CCC[C@H]2C1,-0.7723190784454346
CC(C)Oc1ccccc1C(=O)N1CCS(=O)(=O)C1,-1.5622743368148804
Cc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1,-1.1530654430389404
CCc1ccc(C(N)=O)cc1,-1.8752951622009277
Cc1nc(-c2ccc(NC(=O)Cc3ccco3)cc2)n[nH]1,-1.2472577095031738
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1662795543670654
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.3557320833206177
O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)OCO2,-1.482240915298462
O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Br,-0.8947157263755798
Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.4343578815460205
O=C(Nc1ccc2c(c1)CCCC2)N[C@@H]1C[C@H]2CCCC[NH+]2C1,-1.1274455785751343
CC(C)(C)C(=O)N1CCCC(O)(OCc2ccccc2)C1,-1.5715811252593994
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6713637113571167
N=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4133830070495605
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.119110107421875
Cc1ccc(-c2ccccc2NC(=O)c2coc(C)n2)o1,-1.2446261644363403
O=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1,-1.4743868112564087
Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.052634596824646
O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3789634704589844
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3044872283935547
CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5636643171310425
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0600742101669312
Cn1nnnc1-c1ccc(NC(=O)CCc2ccccc2)cc1,-1.1235041618347168
O=C(N[C@@H]1CC12CCCCC2)c1ccc(N2CCCCC2)cc1,-1.2863432168960571
Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9801604747772217
CCOC(=O)c1csc(Nc2ccc(I)cc2)n1,-1.2756205797195435
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1,-1.1760687828063965
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1353281736373901
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.926364541053772
c1ccc(N2CCNCC2)cc1,-1.8831217288970947
O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1048283576965332
O=C(C1CCCCC1)N1CC[NH+](Cc2cc(Cl)ccc2F)CC1,-0.8410302996635437
COc1ccc(OC)c(NC(=O)c2ccccc2C)c1,-1.385496735572815
C[C@@H]1COCCN1c1ccc(NC(=O)C[NH+]2CCOCC2)cc1,-1.4869966506958008
C[C@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CC[NH+]1C,-1.5208849906921387
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2769842147827148
C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@@H](C)O1,-1.52937912940979
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872109413146973
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368151664733887
C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2184597253799438
O=C(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1,-1.3244163990020752
Fc1ccc(NCc2nc(-c3ccc(Br)cc3)no2)c(Cl)c1,-0.6726271510124207
O=C([C@@H]1CC12CCOCC2)N1CC[NH+](CC2CCCCC2)CC1,-1.4171274900436401
O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6611201763153076
O=C(c1ccccc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1,-0.8800441026687622
O=C(NCc1cccs1)[C@H]1C[C@H]1c1ccccc1,-1.583135724067688
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.32992684841156
CC(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1,-1.5183722972869873
CCc1cc(C(=O)N[C@@H]2CC23CCCOCC3)ccc1F,-1.2440437078475952
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2813371419906616
OC(COc1ccc(NC2CCCC2)cc1)=NC1CCCCC1,-1.5076709985733032
Cc1[nH+]cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.354591727256775
O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1543045043945312
C[C@H]1CCCCN1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1,-1.0864171981811523
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023240089416504
O=C(NCc1ccccc1)N1CCC[C@H](CCCO)C1,-1.6186957359313965
C[C@H]1C[C@H](NC(=O)c2ccccc2)CCN1c1ccc(Br)cc1,-0.9687628149986267
C[NH+]1C[C@H](c2ccc(Cl)cc2)[C@H](NC(=O)c2ccco2)C1,-1.2711693048477173
O=C(Nc1ccccc1)C1CCN(c2ccc(F)cc2F)CC1,-1.0878896713256836
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,-0.9697805643081665
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1687860488891602
CC(C)(O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.3067474365234375
Cc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9543988704681396
O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3364471197128296
Cc1ccccc1CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.4664766788482666
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852956771850586
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0855131149291992
CN1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2)C1=O,-1.2730870246887207
Nc1ccc2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1,-0.4182567894458771
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cn1,-1.3029389381408691
CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc([O-])cc2)C1,-1.3304752111434937
Nc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.8963067531585693
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3219307661056519
CC(C)(C)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.636122465133667
Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3529659509658813
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056626796722412
CC1(C)CC[C@@H](CNC(=O)c2ccc(Br)c(F)c2)C1,-0.9750579595565796
Cc1ccc(NC2CCN(C(=O)c3ccccc3O)CC2)nc1,-1.0439366102218628
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-1.027330756187439
Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4244744777679443
COc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1,-0.992193341255188
Cc1ccccc1C(=O)N1CCN(Cc2cccc(N)c2)CC1,-1.1092911958694458
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0268595218658447
O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431974172592163
O=C(Cc1ccc(Br)cc1)NCc1ccc2cn[nH]c2c1,-1.1295651197433472
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0349146127700806
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC(O)CC1,-1.2357689142227173
O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2346845865249634
Cc1nc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)cs1,-0.8890402317047119
O=C(c1ccc(Br)cc1)N1CCCCC1,-1.6301512718200684
Cc1nnc(SCCc2ccc(O)cc2)n1-c1ccccc1,-1.0731788873672485
O=C(Nc1ccco1)C(=O)N1CCC[C@@H](c2ccccc2)C1,-1.4918485879898071
Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1O,-1.3570420742034912
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3894764184951782
C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-0.8838152885437012
CN(Cc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2,-1.2270959615707397
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1498249769210815
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.085981845855713
CC1(C)CCC[C@H](CNC(=O)c2cc3ccccc3o2)C1,-1.3706327676773071
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1,-1.388696551322937
O=C1C[C@H](Cc2ccccc2)CN1Cc1ccc(Br)cc1,-1.4778368473052979
CC(C)CN=C(O)CNCC(=O)Nc1ccc(Cl)cc1,-1.4040311574935913
Fc1ccc(N2CCC(CNc3cccc(I)c3)CC2)cc1,-1.0262941122055054
O=C([C@@H]1C[C@H]1c1ccccc1)N1CCO[C@H](c2ccccc2)C1,-1.302375316619873
O=C(c1cc(O)ccc1O)N1CCC(Cc2ccccc2)CC1,-1.2097041606903076
Cc1ccc(C(=O)NCCN=C(O)CC2CCCCC2)cc1,-1.5581939220428467
Cc1cccc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1,-1.2104310989379883
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.3611285984516144
O=C(N[C@@H]1CCC2(CC2)C1)c1ccc(-c2nn[n-]n2)cc1,-1.0570236444473267
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617092609405518
O=C(Nc1ccccn1)C(=O)N1CC[C@@H](c2ccccc2)C1,-1.3702340126037598
O=C(C[NH+]1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1,-1.4531601667404175
CC1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC(C)O1,-1.4540624618530273
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.473602294921875
COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.993326723575592
C[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1199666261672974
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.7711087465286255
CN(C)S(=O)(=O)c1cccc(CN2CCN(c3ccccc3)CC2)c1,-1.174837589263916
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2Cl)CC1,-0.9037832617759705
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4329354763031006
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9909974932670593
Cc1ccc(CNC(=O)C(=O)N2CCC(C)CC2)cc1,-1.557558298110962
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999506950378418
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2230030298233032
CC[NH+]1CCCC[C@@H]1C(=O)NCc1csc(C)n1,-1.257294774055481
Cc1ccc(CNC=O)cc1,-1.9353883266448975
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.2572321891784668
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6174871921539307
O=C(c1ccccc1F)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9241620898246765
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.121093988418579
CCC1(C(=O)N[C@H](C)c2ccccc2Br)CCOCC1,-1.3646315336227417
Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0844517946243286
C[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCCO1,-1.4334031343460083
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0067131519317627
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2018041610717773
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2007967233657837
Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.5276033878326416
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9007583856582642
Cc1ccc(OCC2CCN(C(=O)CC(C)C)CC2)cc1,-1.5073246955871582
Cn1ncc(-c2nc(-c3ccc(F)cc3)no2)c1-c1ccc(F)cc1,-0.4160367548465729
c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0225553512573242
Cc1ccccc1NC(=O)C[NH+]1CCO[C@H](c2ccccc2)C1,-1.4845205545425415
CN1C[C@@H](NCc2ccc(-c3ccccc3)cc2)CC1=O,-1.4327669143676758
COC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,-1.6165766716003418
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0960180759429932
COCCC(=O)Nc1ccc(-c2nc(C)cc(C)n2)cc1,-1.2652597427368164
O=C(Nc1ccccc1F)c1ccc(-c2cccc(F)c2)cc1,-1.0293552875518799
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2136210203170776
CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.6187548637390137
c1csc(CSCc2noc(C3CCCCC3)n2)n1,-1.2801592350006104
Oc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)cc1,-1.3020884990692139
Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4268392324447632
Cc1cc(O)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.2588818073272705
O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.6809567213058472
Oc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.399916410446167
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2577815055847168
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1F,-0.8939514756202698
CC1CC[NH+](CCNC(=O)c2cc(F)c(F)cc2F)CC1,-0.6779324412345886
c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.4038995504379272
Cc1cccnc1NC(=O)[C@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.9847583770751953
O=C(Nc1ccc(O)cc1Cl)N1CCC(c2ccccc2)CC1,-1.1119824647903442
COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1,-1.283271312713623
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5312711000442505
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368095636367798
C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.035332202911377
Cc1cc(OCCc2nc(-c3ccccc3)no2)ccc1F,-1.2154273986816406
CC(C)[C@H]([NH3+])C(=O)NC1CCC(Cc2ccccc2)CC1,-1.5346554517745972
COc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.1195414066314697
C[C@H](NC(=O)c1ccc(O)cc1)[C@@H](C)c1ccc(Cl)cc1,-1.0740617513656616
C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.0867435932159424
CCc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.5179163217544556
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567829370498657
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437087178230286
c1ccc(CN2CCC[C@@H](c3nnc(-c4ccccc4)o3)C2)cc1,-1.2716835737228394
Cc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1,-1.5418514013290405
Cc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.5304637551307678
NC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)no1,-1.092195987701416
C[NH+]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1,-1.1662408113479614
O=C(Cc1ccco1)N1CCN(C(=O)C2CCCCC2)CC1,-1.4412360191345215
C[NH+]1CCN(C2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CC1,-1.1025099754333496
C[C@](O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.21393620967865
CC(C)C(=O)N1CCC(O)(OCc2ccccc2Cl)CC1,-1.313362956047058
Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c(Cl)c1,-0.9664599895477295
Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.525022268295288
Cc1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,-1.1339143514633179
CC1(C)CC(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.3833767175674438
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0307179689407349
O=C(NC1CCCC1)N1CCc2nc(-c3ccccc3)sc2C1,-0.8029772639274597
O=C1CC(c2ccc(NC(=O)N3CCCCC3)cc2)CCN1,-1.2976748943328857
O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccccc2)cc1,-1.2772419452667236
CC(C)(F)C(=O)N1CCC(NC(=O)c2cccs2)CC1,-1.182936429977417
Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1,-1.1050662994384766
O=C(c1ccc(F)cc1Br)N1CCC(NC2CCCCC2)CC1,-0.6880351305007935
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975764513015747
Cc1ccc(N2CCN(C)CC2)cc1,-1.7345519065856934
O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4813731908798218
Cc1csc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1,-1.0588315725326538
Cc1nnc(NC(=O)Cc2ccc(-n3cncn3)cc2)s1,-0.9780924916267395
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2O)CC1,-1.014062762260437
O=C(N[C@@H]1CCC2(CC2)C1)c1csc(-c2ccccc2)n1,-1.232840895652771
O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.016193151473999
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.131381630897522
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,-1.3653626441955566
CC1CN(Cc2ccccc2)N(Cc2ccccc2)C1=O,-1.5278724431991577
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(O)c1,-1.1529561281204224
Cc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1,-1.1498894691467285
O=C(C[C@H]1CCN(c2ccccc2)C1=O)NC1CCCCC1,-1.3963398933410645
Nc1cccc(C(=O)NC2CC[NH+](C3CCCCCC3)CC2)c1,-1.2429075241088867
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.4474481344223022
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.3026515245437622
Clc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.090706467628479
Oc1ccc(C[NH+]2CCC(Cc3cccc(Br)c3)CC2)cc1,-1.303787112236023
Cc1cccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3C)C2)c1,-1.0326446294784546
O=C(Cc1ccc[nH]1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.329627513885498
CCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1,-1.4671356678009033
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.1936534643173218
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0223520994186401
Cc1ccccc1C(=O)N1CCN(Cc2cccc(O)c2)CC1,-1.2001794576644897
Nc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9148377776145935
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2154775857925415
Nc1ccc(CC2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1259820461273193
CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.0547058582305908
O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.5137196779251099
CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.1370941400527954
CC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1,-1.2595402002334595
CCOc1ccc(CNc2ccc(Br)cc2F)cc1,-1.442551612854004
CN(C(=O)c1ccccc1)C1CCN(c2ccc(N)cc2)CC1,-1.0923430919647217
O=C(NC[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1,-1.4415526390075684
Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.3201565742492676
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0363649129867554
O=C([C@@H]1C[NH2+]CCC12CCCCC2)N1CCN(c2ccc(Cl)cc2)CC1,-0.7870820760726929
Cc1cccc(N2CC[C@H](NC(=O)c3ccc(C)o3)C2)c1,-1.3062379360198975
Nc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.0903935432434082
Fc1ccc(CNc2cccc(C3CCCCC3)c2)c(F)c1,-1.0781875848770142
CC(=O)Nc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1,-1.4241924285888672
CC1(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CCCC1,-1.2833830118179321
Cc1ccc(N2CC[C@H](NC(=O)c3ccc(C)o3)C2)cc1,-1.325057029724121
O=C(NC[C@@H]1CCC[C@@H](F)C1)Nc1ccccc1,-1.6399422883987427
O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1,-1.152679443359375
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0549384355545044
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6180036067962646
Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0079448223114014
COc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCO2,-1.1052350997924805
Cc1ccc(-c2nnc(NC(=O)Cc3cccs3)s2)cc1,-1.0606639385223389
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.046515703201294
CCc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6369506120681763
Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.090246319770813
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1832798719406128
Cc1ncc(-c2ccc(F)cc2)c(NCC2CCCCC2)n1,-0.903418242931366
O=C(C1CCC[NH2+]CC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.172270655632019
Cc1ccc(C(=O)CNC(=O)c2ccc(Br)cc2)cc1,-1.2862886190414429
O=C(NC1CCN(c2ccccc2)CC1)N1CC2CCCC2C1,-1.1121286153793335
c1ccc(Cc2noc(-c3ccc(C4CCSCC4)cc3)n2)cc1,-1.0632736682891846
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0437560081481934
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.182780146598816
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-0.7410053014755249
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.209263563156128
CC[NH+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2)C1,-1.4980764389038086
O=C(NCc1ccc(F)cc1)[C@H]1CCC2(CCOCC2)C1,-1.53472900390625
Cc1cnc(-c2ccccc2)cc1NC(=O)c1ccc(N)cc1,-1.014943242073059
CCc1ccc(CNC(=O)C2=CCCc3ccccc32)cc1,-1.353953242301941
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1,-1.1573987007141113
O=C(Cc1cc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.2692084312438965
CC(C)(C)c1ccc(NC(=O)c2ccc(O)cc2Br)cc1,-0.924741804599762
O=C(Cc1ccccc1)N1CCN(C(=O)c2cnon2)CC1,-1.4109052419662476
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0775259733200073
Nc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1,-1.081133484840393
Cc1ccc2c(C(=O)NCc3ccc(C)nc3)c[nH]c2c1,-1.143648624420166
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9249413013458252
C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4785237312316895
c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0718129873275757
Cc1ccn2cc(C(=O)NCc3ccc(Br)cc3)[nH+]c2c1,-1.0712354183197021
Nc1ccc(OCc2ccc(Br)cc2)c(-c2ccccc2)c1,-1.1579750776290894
Cc1nc(CC2CCN(C(=O)c3ccc(Cl)s3)CC2)cs1,-0.816419780254364
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2554751634597778
Cc1ccc(CNC(=O)c2cc3ccc(F)cc3s2)cc1,-1.103440284729004
O=C(NC1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.262473702430725
O=C(N[C@@H]1CC[C@@H](F)C1)c1scnc1-c1cccc(O)c1,-0.9686803817749023
O=C1CN(c2ccc(NC(=O)c3cccs3)cc2)CCCN1,-1.2787755727767944
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21,-0.9988124370574951
Cc1ccccc1CNCc1cccc(N(C)C)c1,-1.5329878330230713
Cc1ccccc1C(=O)NC1CCN(c2ccc([NH3+])cc2)CC1,-1.2130591869354248
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160064697265625
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(F)c2)co1,-1.4357507228851318
Cc1cc(C)c(CC(=O)N[C@H]2CCCN(c3ccccc3)C2)o1,-1.2452812194824219
Cc1nc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12,-0.2769168019294739
CC(=O)c1ccc(NC(=O)c2ccc(N)cc2F)cc1,-1.1130521297454834
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.157775640487671
Nc1ccccc1CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1,-1.255517601966858
Cc1csc(NC(=O)c2cc(C)n(-c3ccccc3)n2)n1,-0.9288265705108643
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0776945352554321
Cc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1,-1.0415465831756592
[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.3212608098983765
Cc1cccnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.046162724494934
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0001031160354614
O=C([O-])C1CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1,-1.245475172996521
Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)c(Cl)c1,-0.9920840263366699
Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9314825534820557
O=C(Nc1ccccc1N1CCNC1=O)c1ccc(Cl)cc1,-1.0149736404418945
Cc1ccc(NC(=O)NCC2CCOCC2)cn1,-1.6457608938217163
O=C(Nc1ccc(F)cc1F)N1CC[NH2+]C[C@@H]1c1ccccc1,-0.9214423894882202
COc1ccc(OCC(C)Nc2ccccc2)cc1,-1.7162673473358154
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.185659408569336
Cc1ccc(OCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.430131435394287
O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccon1,-1.0176018476486206
Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.303558588027954
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.8293460607528687
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617050886154175
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3696742057800293
Clc1ccccc1CNc1ccc(-c2nc3ccccc3o2)cc1,-0.916983425617218
Cc1nc2ccc(C(=O)N3CCCN(c4ccc(F)cc4)CC3)cc2o1,-0.6334165930747986
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9459078907966614
Cc1cccc(N2CC[C@@H](NC(=O)c3cc(C)[nH]n3)C2)c1,-1.0938694477081299
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431907415390015
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Br)cc1O,-0.9325898289680481
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1543951034545898
O=C(Nc1ccc(-c2ccc(F)cc2F)cc1)c1ccccc1,-1.0390528440475464
O=C(C[NH+]1CC(c2ccc(F)cc2)C1)NC1CCCCC1,-1.3721197843551636
C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1819989681243896
Cc1cc(C(=O)NCCc2ccc(F)cc2)c(C)nc1C,-0.7741653919219971
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9919869899749756
C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(Cl)cc1,-0.9120431542396545
O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.02016019821167
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)on1,-1.1879034042358398
CC(C)(C)C(=O)Nc1ccc(-n2c(=N)oc3ccccc32)cc1,-0.9543484449386597
O=C(CCCOc1ccc(Br)cc1)Nc1ccc(Cl)cc1,-1.425039291381836
Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12,-0.3893577754497528
CC1(C)CC[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4369535446166992
O=C1C[C@H](NC(=O)N2CCCC[C@H]2c2ccccc2)CCN1,-1.4413601160049438
Cc1cccc([C@H]2C[C@H](NC(=O)c3ccc(Cl)nc3)C2)c1,-0.9940542578697205
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8822016716003418
O=C(O)c1ccc(COc2ccccc2)cc1,-1.715345025062561
C[C@@H](CC[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1,-1.4588134288787842
C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1,-0.9659904837608337
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1,-1.0160807371139526
CC(C)(O)CC(=O)NC1CC[NH+](CC2CCOCC2)CC1,-1.5918761491775513
O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)cc1,-1.3085289001464844
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2009809017181396
Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.941487193107605
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4073184728622437
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4608425199985504
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2991303205490112
CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1,-1.230841875076294
Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.3540700674057007
Cc1ccc(CCSc2nnc(-c3ccc(Cl)cc3)o2)cc1,-1.03970205783844
Fc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.3336973190307617
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0228171348571777
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1,-1.0364857912063599
O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1,-1.029646873474121
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.1566264629364014
Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3139183521270752
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908128261566162
O=C(NCCc1ccc(F)cc1)N1CCC2(CCCC2)C1,-1.5234357118606567
C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0904252529144287
O=C(Cc1ccc(F)cc1)NCc1ncc2ccccn12,-1.217320442199707
COc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.1693692207336426
O=C(N[C@@H]1CCCN(c2ccccc2)C1)C1CC(F)(F)C1,-1.3133761882781982
CC(C)(C)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,-1.435828447341919
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1,-1.1081717014312744
CCCc1ccc(CNCc2ccc(Cl)cc2)cc1,-1.5501517057418823
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.4933277368545532
O=C(N[C@@H]1CCC[C@H]1C1CCCCC1)c1ccc2[nH]ncc2c1,-0.9437572360038757
CCc1ccccc1C(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.910193920135498
CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1,-1.124395489692688
C[NH+]1CCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2)CC1,-1.354662537574768
O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.1611230373382568
CC(C)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1,-1.38479483127594
O=C(Nc1cccc(F)c1)N1CC[NH+](CC(F)(F)F)CC1,-1.1864523887634277
C[NH+]1CCC[C@@H](CNC(=O)CCc2ccc(Br)cc2F)C1,-0.991865336894989
N[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1878317594528198
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999480724334717
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.9061183929443359
[NH3+][C@H]1C[C@H]1C(=O)NCC1CC(c2ccccc2)C1,-1.570515513420105
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160651445388794
[NH3+]CCC1CCN(C(=O)COCc2ccccc2)CC1,-1.6165034770965576
O=C(Cc1ccccn1)NC1CCN(c2ccc(Cl)cc2)CC1,-1.134459137916565
CC(C)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.2681498527526855
Cc1cccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)on2)c1,-1.3000895977020264
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.5260663032531738
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2054803371429443
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0489522218704224
Cc1cc2c(s1)CC[NH+](CC(=O)NCc1ccccc1)C2,-1.2646368741989136
O=C(Cc1ccccc1)NC[C@@H](O)Cc1cccc(F)c1,-1.5666307210922241
Cc1cc(C)cc(NCc2ccc(N3CCOCC3)cc2)c1,-1.4117157459259033
COc1cccc(C(=O)NCc2cc(C)on2)c1,-1.6614458560943604
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)cc1,-1.1472762823104858
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0990104675292969
CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.301635980606079
[NH3+]C1CC[NH+](CC2CCN(C(=O)c3ccccc3F)CC2)CC1,-1.0143853425979614
O=C(NCC[NH+]1CC[C@@H]2CCCCN2CC1)c1ccc(F)cc1,-1.1119061708450317
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3144994974136353
Cc1cc2ccc(NC(=O)C[NH+]3CCCC4(CCCC4)C3)cc2[nH]1,-1.2636195421218872
Cc1cccc(C(=O)NC[C@H](O)Cc2cccc(Br)c2)c1,-1.323108434677124
Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2862569093704224
O=C(N[C@@H]1CC12CCC2)N1CCC([NH+]2CCCCC2)CC1,-1.3286614418029785
CC(C)(CC(=O)[O-])C(=O)Nc1ccc(N2CCC(O)CC2)cc1,-1.2647379636764526
c1ccc(-c2nc(C[NH+]3CCC[C@@H](c4ccccc4)C3)no2)cc1,-1.2077699899673462
C[NH+]1CC[C@@H](CNC(=O)N2CCc3cc(Cl)ccc3C2)C1,-0.9071592092514038
c1ccc(-c2nc(CNCC3CCCC3)cs2)cc1,-1.5569740533828735
COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.5302374362945557
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0707300901412964
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146512269973755
CC[C@H]1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1,-0.6132880449295044
Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.315449833869934
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0442674160003662
O=C(Nc1ccc(O)cc1)N1CCN(CC(F)(F)F)CC1,-1.2195390462875366
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2192139625549316
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.0931367874145508
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.989112138748169
C[NH+]1CCC(C)(NC(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.2866188287734985
CCOc1ccc(NC(=O)c2cnc(C)s2)cc1,-1.4774802923202515
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8069478869438171
O=C(Nc1ccc(N2CCOC2=O)cc1)c1cccc(F)c1,-1.2529332637786865
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(I)cc1,-1.242436408996582
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0040580034255981
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9645230770111084
C[C@H]1C[NH+](C)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1,-1.1632829904556274
CC(C)C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)CC1,-0.7791703343391418
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc2[nH]ccc12,-0.8841909170150757
O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F,-0.6558130979537964
Cn1ccc(C2(NC(=O)N3CCC[C@@H](O)C3)CCCC2)n1,-1.319198489189148
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110934734344482
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.07342529296875
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.895863950252533
Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)no2)cc1,-1.1840153932571411
O=C1NCCC[C@@H]1NC(=O)N1CCC(c2ccccc2)CC1,-1.2066744565963745
O=C(NCc1ccc(I)cc1)Nc1ccccc1,-1.5243886709213257
Fc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.2143499851226807
O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1,-1.1028594970703125
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1,-0.9425504803657532
O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(O)cc1Cl,-1.0617364645004272
CC(C)(C)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1,-1.2531044483184814
Cc1ccccc1NC(=O)c1ccc(Cl)cc1,-1.5211900472640991
CC(=O)c1ccc(NC(=O)Cc2ccc(I)cc2)cc1,-1.3339729309082031
Cc1ccc(CC(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1,-0.9334663152694702
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCOCC1,-1.525429129600525
CCc1cc(C(=O)NCc2ccc(C)cc2)n[nH]1,-1.5510172843933105
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8959053158760071
O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0461390018463135
Cc1ccccc1C(=O)NC1CCC([NH+]2CCN(C)CC2)CC1,-1.0603302717208862
O=C(C[NH+]1CCc2ccccc21)NCc1ccc(Cl)cc1,-1.3784494400024414
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9802961349487305
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.25583016872406
CC(C)c1nc(C2CCN(C(=O)CC3CCCCC3)CC2)cs1,-0.838192880153656
O=C(C1CCN(Cc2ccccc2)CC1)N1CCCCC(O)C1,-1.418657898902893
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9661526679992676
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0761961936950684
COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.5757477283477783
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1761356592178345
O=C(NC1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.0301995277404785
Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2s1,-0.9770689606666565
O=C(c1ccccc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1781692504882812
CC1(C)CCC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1,-1.523384690284729
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3763164281845093
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9480165839195251
COc1ccc(CC(=O)Nc2ccc(OC)cc2)cc1,-1.5909771919250488
c1ccc(CN2CC[C@]3(CC[NH+]3Cc3ccccc3)C2)cc1,-1.5643973350524902
CC(C)[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0195245742797852
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1707491874694824
O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+]2CC[C@H]2C1,-1.0421271324157715
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0877149105072021
Cc1ccc(-c2ccc(N)cc2NCc2ccccc2)cc1,-1.2583874464035034
O=C(N[C@H]1CCCC[C@@H]1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1287246942520142
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.0041842460632324
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCCO1,-1.4284147024154663
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8810553550720215
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)CCCC2,-1.2750459909439087
CCNc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6409692764282227
Cc1cc(C(C)C)c(F)cc1NC(=O)c1ccc(F)cc1,-0.7602616548538208
O=C(Nc1ccccc1)[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.1492929458618164
Cc1[nH]cnc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2F)C1,-0.6003842949867249
O=C(Nc1ccccc1O)[C@H]1CCCC[C@H]1c1ccc(Cl)cc1,-1.0720223188400269
Cn1nc(N2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21,-0.43199190497398376
Cc1noc(C)c1CNC(=O)C[C@H](C)c1ccc(Cl)cc1,-0.9973856806755066
O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1,-1.2006059885025024
O=C1NCCN1c1ccc(F)cc1,-1.7314200401306152
CC(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.265580415725708
Cc1ccc(C)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.1277285814285278
Fc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.0120002031326294
O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.4668577909469604
O=C(O)COc1ccc(NCC(O)=NC2CCCCC2)cc1,-1.548582911491394
O=C(O)C1CCN(C(=O)c2ccccc2N2CCCC2)CC1,-1.1420198678970337
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3214811086654663
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)o1,-1.087071180343628
Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.2770479917526245
Cc1ccc(-c2nc(Cl)cc(NCc3ccccc3)n2)cc1,-0.943525493144989
C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@H](c2ccc(F)cc2)CO1,-0.5950173139572144
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1336840391159058
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cn2ccccc2[nH+]1,-1.0541456937789917
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.276544451713562
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502861022949219
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.1278886795043945
O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.008950114250183
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(S)cc2)CC1,-1.1151576042175293
CC(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.0833077430725098
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6736310720443726
Cc1ccc(NC(=O)N2CCC[NH+](C3CCOCC3)CC2)cc1,-1.4232747554779053
Cc1ccc(-c2ccccc2NC(=O)c2ccccc2F)cc1,-1.0461361408233643
C[C@@H]1CCCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.2349039316177368
Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2109482288360596
COc1ccc(C(=O)NC[C@H]2CCC2(C)C)cc1,-1.5949915647506714
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3605870008468628
COc1cccc(C(=O)NCc2ccc(C)s2)c1,-1.5723624229431152
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2832980155944824
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCn2cccc2C1,-0.9851496815681458
CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8743264675140381
CC(O)C(C)(C)Oc1ccc(C(=O)N2CCCCC2)cc1,-1.5404534339904785
CCc1ccc(C(=O)NC2CCC(C3CCCCC3)CC2)cc1,-1.199963092803955
Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3334327936172485
Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.233004093170166
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.8296113610267639
O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5118061304092407
c1ccc(CN2CCC23CC[NH+](Cc2ccccc2)C3)cc1,-1.5621137619018555
Cc1ccc(O)cc1NC(=O)[C@H]1CCCC[NH+]1C(C)(C)C,-1.0849553346633911
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0405186414718628
O=C(N[C@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1Cl,-0.8142378330230713
Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.920476496219635
COc1ccc(CNC(=O)c2ccc(Cl)o2)cc1,-1.567630410194397
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.087430477142334
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.3055006265640259
CC(C)(N=C(O)Cc1ccc(I)cc1)C(=O)Nc1ccccc1,-1.2135857343673706
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.129658818244934
CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(C)cc2)C1,-1.489250659942627
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc12,-0.9003647565841675
CC(C)(C)C(=O)N[C@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.1593531370162964
Cc1ccc(NCC2CCN(c3ccccc3)CC2)nc1C,-1.092561960220337
Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9457854628562927
Nc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.2330026626586914
c1ccc(-c2ccc(CN3CCC[C@H]3c3ccccc3)cc2)cc1,-1.343774437904358
Nc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0556577444076538
CC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)c(O)c2)C1,-1.1154710054397583
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3679336309432983
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9593872427940369
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9392450451850891
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0964051485061646
CC(C)COc1ccc(OCc2ccccc2)cc1,-1.6782786846160889
C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(Cl)nc1,-0.983672022819519
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9539838433265686
O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.4673634767532349
COc1ccc(C(=O)Nc2ccc(OC)cc2C)cc1,-1.3938101530075073
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.066162109375
CC(C)(C)C(=O)N[C@H]1CCC(=O)N1Cc1ccccc1,-1.4520775079727173
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2109191417694092
O=C(Nc1ccccc1F)N1CCN(c2cccc(Br)c2)CC1,-0.8923302888870239
Fc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2146564722061157
[NH3+]c1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)c(Cl)c1,-1.0283674001693726
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1348973512649536
CC1(C)CC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1,-1.40579092502594
Cc1cc(F)ccc1C(=O)N[C@H]1CCC[NH+](C2CCCCC2)C1,-0.9471230506896973
Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1,-1.2461199760437012
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cn1,-0.9829565286636353
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1572338342666626
Cc1nc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cs1,-1.024111032485962
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0719618797302246
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(N)cc3)C2)o1,-1.2442771196365356
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0468238592147827
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9061516523361206
O=C1NCC[C@@]1(C(=O)Nc1ccc(F)cc1)c1ccccc1,-1.307202696800232
COC1CCN(C(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)CC1,-1.113310694694519
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053797721862793
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.949536919593811
O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9419651031494141
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395485162734985
CCCCN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1,-1.4458870887756348
CC(C)(C)C(=O)N1CC[NH+](CCNc2ccccc2)CC1,-1.5254333019256592
O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc2ccccc2s1,-0.9816255569458008
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2977772951126099
O=C(NCc1ccc(F)cc1)N1CCOC12CCCCC2,-1.5374386310577393
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(O)cc1,-1.0017000436782837
CCCCCCCCCOc1ccc(NC(=O)C(C)(C)N)cc1,-1.5754728317260742
c1ccc(-c2nc(C[NH+]3CCN(C4CCCCC4)CC3)no2)cc1,-1.2538636922836304
COc1ccc(CNC(=O)c2cc(Cl)[nH]n2)cc1,-1.3924180269241333
O=C(NCc1ccc2c(c1)OCCO2)c1cccc(O)c1,-1.5415114164352417
Cc1ccc(-c2ccc(NC(=O)[C@@H]3CC[NH2+]C[C@H]3C)cc2)cc1,-1.0836689472198486
Cc1ccc(C(=O)NC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.123441219329834
COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.466229796409607
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.959500789642334
O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CCCCC1,-1.0721466541290283
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4142534136772156
Cc1ccc2cc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2c1,-0.6405577063560486
O=C(c1ccc(F)cc1)N1CC[NH+]2CCN(c3ccc(F)cc3)C[C@H]2C1,-0.5978227257728577
O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.0335402488708496
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8620537519454956
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.2253305912017822
O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9229001402854919
c1ncn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1,-1.1611289978027344
Cc1cccc(C(=O)N2CCN(C(=O)[C@H](C)C(F)(F)F)CC2)c1,-0.7513522505760193
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6932886838912964
Nc1ccc(C2CCN(C(=O)c3ccc(CO)cc3)CC2)cc1,-1.0737755298614502
Nc1nnc(NCc2ccccc2)c(-c2ccc(Cl)cc2)n1,-0.7768121361732483
c1ccc(CSCN=C2CCN(Cc3ccccc3)CC2)cc1,-1.4961479902267456
Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)s1,-0.6603590846061707
Cc1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)c1,-1.5906569957733154
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.0958179235458374
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cn1,-1.4224202632904053
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F,-0.9733732342720032
O=C(Nc1cccc(O)c1)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1123480796813965
CC(C)(C)CC(=O)Nc1ccc(Sc2ccccc2)cc1,-1.518282413482666
Nc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9321279525756836
Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1916028261184692
O=C(c1cc(O)nc2ccccc12)N1CCN(c2cccc(Br)c2)CC1,-0.4720381200313568
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2348278760910034
Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.477686882019043
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0343868732452393
C[C@@H]1COCCN(C(=O)NC2CCC(c3ccccc3)CC2)C1,-1.385191559791565
O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccccc2)C1,-1.1707875728607178
Cc1cccnc1NC1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.9281435012817383
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(C)n1,-0.9084808230400085
COc1ccc(C(=O)NCc2ncc(Br)s2)cc1,-1.2172737121582031
Cc1cc(C)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1,-0.5870858430862427
Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1003410816192627
O=C(Cc1nc2ccccc2o1)NCc1ccc(O)cc1,-1.450940489768982
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3606040477752686
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750852823257446
Fc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1Br,-1.111317753791809
Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cs1,-0.8705236315727234
Nc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-0.9461873769760132
CC(C)C(=O)N1CCCC[C@H]1C(=O)NC1CCC=CCC1,-1.4538769721984863
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.338822841644287
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9653360247612
COc1ccc(CNC(=O)c2ccc(I)s2)cc1,-1.4706701040267944
O=C(N[C@@H]1CCOC[C@@H]1c1cccc(F)c1)c1ccccc1O,-1.1222312450408936
Cc1ccc2[nH]cc(C(=O)NCc3ccc(Br)cc3)c2c1,-0.9663181304931641
Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)s1,-0.7641922235488892
O=C(c1ccc(F)cc1F)N1CCC[C@H](Oc2ccccc2)C1,-1.2054579257965088
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CCCO1,-1.3555439710617065
O=C(NCCc1ccccc1)Nc1csc(Cl)n1,-1.5440930128097534
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2348285913467407
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.000044822692871
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.987790584564209
O=C(CCCF)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.1821974515914917
CC1(Nc2ccc(Br)cc2Cl)CC[NH+](C[C@@H]2CCCO2)CC1,-0.9928724765777588
Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(F)c1,-1.3864752054214478
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.2961630821228027
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1510387659072876
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8963637948036194
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-0.992070734500885
O=C(Nc1ccc(F)cn1)[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.0018872022628784
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.2393890619277954
O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)N1CCCCCC1,-1.2973576784133911
[NH3+]CCCc1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1,-1.5674653053283691
Cc1cc(C)n(-c2ccccc2N)n1,-1.450629711151123
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9867461919784546
O=C(Nc1cc(Br)ccc1F)[C@H]1CCCN(c2ccccc2)C1,-0.8614559769630432
C[C@@H]1CN(c2ccc(C(=O)N3CCC(C)(C)CC3)cc2)C[C@H](C)O1,-1.0117069482803345
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1[O-],-1.0470178127288818
O=C(NCc1ccc(Cl)nc1)Nc1ccccc1,-1.5904604196548462
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.7893253564834595
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)nc1,-0.9311416149139404
C[C@@H]1CCC[NH+](CC(=O)NCc2cc3ccccc3o2)C1,-1.506160020828247
O=C(COc1ccc(Cl)cc1)Nc1ccc2ncsc2c1,-1.1538487672805786
O=C(NCc1cncc(Br)c1)N1CCOC2(CCCC2)C1,-1.478813886642456
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894715070724487
NC1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.160402774810791
C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.2132117748260498
N#CCC(=O)N1CCC(C(=O)Nc2ccc(N)cc2)CC1,-1.2012038230895996
c1cc(-c2nn[n-]n2)ccc1CNCC1CCCC1,-1.3712974786758423
O=C(Nc1ccc(CCCO)cc1)c1ccc2c(c1)OCCO2,-1.498510479927063
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1177096366882324
O=C(Cc1ccccc1)NC[C@H](O)Cc1cccc(Cl)c1,-1.5323293209075928
O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CC[NH2+]CC2)C1,-1.0845310688018799
O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0435259342193604
Nc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.1738632917404175
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0290849208831787
O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9194804430007935
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466319561004639
CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5184110403060913
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.119964838027954
CC(C)C[NH+]1CCC(NC(=O)N2CCCC23CCCCC3)CC1,-1.2970880270004272
CC(C)(C)CC(=O)Nc1ccc(N2CCCC(C(=N)O)C2)cc1,-1.1703859567642212
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cn1,-1.0556724071502686
C[NH+]1CCC(CNC(=O)CCCc2ccc(N)cc2)CC1,-1.5324136018753052
O=C(NCc1ccc(F)c(F)c1)c1ccc2nc[nH]c2c1,-0.9787824153900146
CCOc1ccc(CNC2CC(C)(C)C2)cc1,-1.691459059715271
CC(C)(N)CN1CCN(C(=O)COc2ccccc2)CC1,-1.5458341836929321
Cc1cc(NC(=O)N2CC[C@H](n3cccn3)C2)ccc1I,-0.9134818315505981
Cc1cccc(CNC(=O)c2cc3ccc(Cl)cc3o2)c1,-1.1143455505371094
Nc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.232999324798584
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.2167739868164062
O=C(CCc1ccccc1)N[C@H]1CCC[NH+](C2CCOCC2)C1,-1.5148887634277344
O=C(Nc1ccccc1F)C1CCN(c2cccc(F)c2)CC1,-0.9530594944953918
CCOc1ccc(CNC(=O)C[C@@H](C)CC)cc1,-1.6741585731506348
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2420183420181274
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419216394424438
O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(F)c1,-1.3016797304153442
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9485082626342773
Cc1ccc(CC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1,-1.569705843925476
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1800520420074463
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125014066696167
Cc1cc(I)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0034068822860718
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.1162195205688477
Cc1ccc(Cl)cc1NC(=O)Cc1cccc(S(C)(=O)=O)c1,-1.1190766096115112
CCOc1ccc(NC(=O)CS(=O)(=O)C(C)C)cc1,-1.6044824123382568
O=C(c1ccccc1F)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9286130666732788
O=C(NCCc1ccc(Br)cc1)[C@@H]1CCC2(CCCC2)O1,-1.4718934297561646
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2871977090835571
O=C(Cc1ccc(F)cc1)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.3010244369506836
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731393098831177
O=C(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2)CC1,-1.2679386138916016
O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.4674289226531982
CC(C)[NH+]1CCC2(CCSC2)C1,-1.7871202230453491
N#Cc1ccc(C(=O)Nc2cnn(C3CCCCC3)c2)cc1,-1.3533689975738525
CCC1CCN(C(=O)c2ccc(-c3ccc(I)cc3)cc2)CC1,-0.9482109546661377
C[NH+]1CCC[C@H]2C[C@@H](CNC(=O)c3ccc(F)cc3)O[C@@H]21,-1.1663026809692383
Cc1csc(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1,-0.6775365471839905
O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1ccc(Br)cc1,-1.4570144414901733
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1,-0.9498496055603027
[NH3+]CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1,-1.6048760414123535
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2185817956924438
O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.175236701965332
C[C@]1(O)CC[NH+](CC(=O)NCc2ccc(Br)cc2)C1,-1.5371383428573608
Cc1ccn2c(CNC(=O)c3cccc(Cl)c3)c[nH+]c2c1,-1.037894606590271
CC(C)C(C(=O)[O-])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.015441656112671
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(N)c1,-1.1189764738082886
O=C(NCc1ccc(Cl)cc1)N1CCC[C@@]2(CCOC2)C1,-1.5007126331329346
O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(Cl)cc1,-0.9695059061050415
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.295219898223877
C[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-0.9964832663536072
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5657293796539307
Cc1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1,-1.4922008514404297
Cc1ccc(C(=O)NCC[NH+]2CCCC[C@H](C)C2)cc1Cl,-1.0978868007659912
Cc1ccc(C(=O)NCC(O)=NCCC2CCCCC2)cc1,-1.5157272815704346
CC1CN(c2ccc(OCc3ccccc3)cn2)CC(C)N1,-1.2356388568878174
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2837966680526733
O=C1NCCN(Cc2ccccc2)CCN1Cc1ccccc1,-1.4843977689743042
Cc1ccc(N=C(O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.2156895399093628
CCOc1ccc(NC(=O)c2nnc(C)s2)cc1,-1.3428422212600708
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2517958879470825
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1725002527236938
O=C(NCc1cccc(F)c1)N1CCC2(CC[NH2+]CC2)C1,-1.5133522748947144
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.027673363685608
Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1439919471740723
Cn1cc(CC(N)=O)cn1,-1.9049246311187744
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2548257112503052
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.151455283164978
O=C(c1ccncc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.099513292312622
O=C(N[C@@H]1CCCN(c2ccccc2)C1)C1CC(F)(F)C1,-1.1913845539093018
O=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)CC[NH2+]C2,-1.326770305633545
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2445077896118164
O=C(C1CC(F)(F)C1)N1CC[NH+](CC2CCCCC2)CC1,-1.114075779914856
c1ccc(-c2nonc2C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.2075189352035522
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9598653316497803
Cc1ccoc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.1731140613555908
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4008742570877075
Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccccc2Cl)cc1,-1.0685322284698486
CC1CC(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1,-1.1696068048477173
Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.1071317195892334
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.5322500467300415
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1627000570297241
COc1ccc(OCCOc2ccc(Cl)cc2)cc1,-1.6013832092285156
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1483503580093384
C[C@H]1CCCC[NH+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9319370985031128
Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21,-0.8923591375350952
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.108445167541504
Cn1ccc(CNC(=O)CCc2ccccc2)cc1=O,-1.5923856496810913
Cc1cccc(C(=O)NC2CC(c3cccc(F)c3)C2)c1,-1.1817559003829956
C[C@@H]([NH3+])CCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1,-1.3978297710418701
O=C1NCCN1c1cccc(F)c1,-1.7320141792297363
COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4241647720336914
Clc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.1319594383239746
Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0838717222213745
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.0110780000686646
CC(C)(C)c1ccc(NC(=O)c2ccc(F)cc2F)cc1,-0.9075175523757935
Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.115512490272522
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679472923278809
Fc1ccc(OCc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.056428074836731
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567877054214478
Nc1ccccc1NC(=O)c1ccc(-c2ccc(I)cc2)cc1,-0.9222511053085327
CC(C)NC(=O)c1ccc(N2CC[S+]([O-])[C@H](C)C2)cc1,-1.0463682413101196
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2937196493148804
O=C(c1cc(O)c2ccccc2n1)N1CCCC[C@@H]1c1ccc(F)cc1,-0.50711590051651
C[C@H]1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3701335191726685
O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1[NH+]1CCOCC1,-0.9232749342918396
O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2[nH]1,-0.924389123916626
Cc1ccc2nc(CNC(=O)c3cccc(Cl)c3)[nH]c2c1,-0.9683145880699158
CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.2000095844268799
CCCCCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4534614086151123
O=C(COc1ccc(F)cc1)NC1CC1C1CCCCC1,-1.4100979566574097
Clc1cc(CN2CCCCC2Cc2ccccc2)ccc1Br,-0.9907812476158142
O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1,-1.521009922027588
Cc1n[nH]c(C)c1C(=O)Nc1ccc(-c2nccs2)cc1,-0.8173762559890747
Cn1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)n1,-1.3695682287216187
Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(Br)cc2)n1,-1.1248420476913452
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.2585036754608154
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1077876091003418
CCOc1ccccc1NC(=O)c1ccc(Br)o1,-1.5251915454864502
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3322632312774658
Cn1nccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O,-0.7683929800987244
O=C(Cc1nc2ccccc2o1)NCc1ccc(Br)cc1,-1.2265620231628418
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.506105661392212
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c1,-1.024940848350525
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1Cl,-1.032670259475708
Cn1cc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cn1,-1.5363717079162598
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.457103967666626
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3390079736709595
COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.132737636566162
c1ccc(C2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0496870279312134
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2278798818588257
C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1850820779800415
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5273618698120117
c1ccc(N2CCN(Cc3nc(C4CCCCC4)no3)CC2)cc1,-1.1666125059127808
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9430968165397644
O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.2000129222869873
O=C(N[C@@H]1CCCC[C@@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.9690291881561279
C[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2F)CC1,-1.0105699300765991
O=C(NC1CCN(c2ccc(F)cc2)CC1)C1CCCCCC1,-1.1707388162612915
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9965636134147644
CC(C)C[C@H](C(=O)NCc1ccc(Br)cc1)c1cccs1,-1.1225637197494507
O=C(N[C@@H]1CCCC[C@H]1c1ccc(O)cc1)c1ccccc1O,-1.1073416471481323
C[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1,-1.4669604301452637
CCNC(=O)CCc1ccc(C[NH+]2CCCCC2)cc1,-1.6181175708770752
N=C(O)C(NC(=O)c1ccc(N)cc1)c1ccccc1,-1.4668349027633667
CCN1CCN(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1,-0.9942734837532043
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9719923734664917
CCC(C)([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5829719305038452
C[C@@H](C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1,-1.473415732383728
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.5047600269317627
O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]1c1ccccc1F,-0.9517972469329834
O=C(NCC1CCCCC1)c1ccc2c(c1)C(=O)NC2,-1.2461438179016113
Clc1cccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)c1,-1.0095335245132446
C[C@H]1CCCN(C(=O)CNCc2cc(Cl)c(F)cc2F)C1,-0.6646130681037903
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2204300165176392
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1337394714355469
Cc1ccccc1NC(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1,-1.183173418045044
CCC(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1,-1.314489483833313
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5096248388290405
O=C(Cc1ccc2c(c1)CCCC2)NC[C@H]1CCC[NH2+]C1,-1.3737019300460815
Cc1ccc(NCc2cc(Br)ccc2N2CCOCC2)cc1,-1.1588153839111328
O=C(N[C@H]1C[C@H](c2ccc(O)cc2)C1)c1ccc(F)cc1,-1.2226554155349731
Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)c(C)o1,-1.0896928310394287
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0187666416168213
c1cc(N2CCCC2)ccc1CNCC1CCCO1,-1.6351655721664429
Cc1ccc(-c2ccc(Br)cc2)c(NCc2ccccc2)c1,-1.138168215751648
CC(C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1,-1.4830669164657593
O=C(N[C@H]1CCCC[C@H]1c1cccs1)N1CC2(CCC2)C1,-1.2892268896102905
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.2944581508636475
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4894706010818481
O=C(NCc1ccc(Br)c(Cl)c1)[C@H]1CCOC12CCCC2,-1.1522318124771118
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4465467929840088
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.0729873180389404
O=C(CNc1ccc(I)cc1)N1CCN(c2ccccc2)CC1,-1.152260661125183
Cc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.3393847942352295
CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5826263427734375
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)s1,-1.0279710292816162
O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ccc2c1,-1.3360307216644287
Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9314668774604797
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.017235279083252
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1O,-0.9794108867645264
O=C(Cc1ccc(Cl)cc1)N1CCC(c2cnc3ccccc3n2)CC1,-0.5452953577041626
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1652207374572754
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1237283945083618
C[NH+]1CCN(c2ccc(NC(=O)N3CCCCCC3)cc2)CC1,-1.3341917991638184
Nc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.249489188194275
CN1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-1.1295512914657593
OC(=Nc1ccc(OCC2CCCCC2)c2ccccc12)c1cncs1,-0.8756713271141052
O=C(N[C@H]1CCO[C@H]1C1CCCCC1)c1cc2ccccc2o1,-1.2369390726089478
C[C@H]1C[NH+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CCS1,-1.3826484680175781
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)co1,-1.1197139024734497
Cc1ccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cc1,-0.9911022186279297
Cc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)cc1,-1.1099379062652588
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.258415699005127
Fc1cccc(CNC2CCN(c3ccc(Br)cc3)CC2)c1,-1.0426833629608154
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.297693133354187
O=C(NCc1ccc(Br)cc1)N1CCC2(CCCCC2)C1,-1.4753577709197998
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9832276105880737
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.310227394104004
Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9822107553482056
O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.366567611694336
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9841346144676208
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1584690809249878
CCC(C)(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5337027311325073
Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(Br)c1,-1.0677976608276367
Cn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n1,-0.8215644359588623
O=C(N[C@@H]1CCO[C@H]1c1ccc(F)cc1)N1CC[C@H](F)C1,-1.1189087629318237
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0503342151641846
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565158128738403
O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1ccc(F)c(F)c1,-0.4706607162952423
O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6253544092178345
Cn1cc(NC(=O)c2ccc(Br)cc2)c(-c2ccco2)n1,-1.0203065872192383
O=C(Cc1noc(C2CCCC2)n1)Nc1ccc(F)cc1,-1.2459975481033325
Cc1ccc(F)cc1C(=O)Nc1ccc(C2CCCCC2)cc1,-1.0130726099014282
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-1.0312765836715698
O=C(c1ccc(I)cc1)N1CCN(c2cc(F)c(F)cc2F)CC1,-0.24425113201141357
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080658674240112
CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1,-1.0142459869384766
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccs1,-0.983383059501648
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0274879932403564
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.8473474383354187
O=C(N[C@H]1CCC12CCCC2)N1CCN(c2ccccc2)CC1,-1.3162906169891357
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.8676372766494751
CCC(=O)N1CCC(Cc2ccccc2)CC1,-1.726792812347412
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5755858421325684
CC1(O)CCC(NCc2ccc(-c3ccccc3Cl)cc2)C1,-1.2434406280517578
CCN1CCN(C(=O)c2ccc(-c3ccc([O])cc3)cc2)CC1,-1.1246412992477417
C[C@@H](C(=O)NCc1ccc(F)cc1F)c1ccc(Cl)cc1,-0.8357139825820923
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8445271253585815
Cc1ccc(N2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc1,-0.5981519818305969
O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536059141159058
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9036251306533813
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9351229667663574
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2[nH]1,-1.1648882627487183
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.157472848892212
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)cc1,-0.9782914519309998
CC(C)[C@H](O)C(=O)N1CCC(OCc2ccccc2)CC1,-1.5266129970550537
O=C(O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.5353844165802002
O=C(Cc1ccc2cc(Br)ccc2c1)N1CCN(c2ccccc2)CC1,-0.8609673380851746
Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(F)c1,-1.02397882938385
C[C@@H]1CCC[C@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.598979115486145
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1764848232269287
O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(F)c(F)c1,-0.9561644792556763
C[NH+]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.5101516246795654
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1125046014785767
Cc1ccc(C(=O)NC[C@H]2CCOC23CCCCC3)nc1,-1.509965419769287
C[NH+]1CC[C@@]2(CCCN(C(=O)OCc3ccccc3)C2)C1,-1.5736374855041504
Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.1813948154449463
Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.0891207456588745
O=C(N[C@H]1CCC(F)(F)C1)c1conc1C1CCCCC1,-1.1341935396194458
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.605392575263977
Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3392927646636963
CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1,-1.0869649648666382
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.198921799659729
Cn1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1,-0.9767746925354004
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.2154852151870728
Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.0817303657531738
O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-0.9943383932113647
O=C(Nc1ccc(F)cc1O)N1CC[NH+](C2CCCCC2)CC1,-1.1140393018722534
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.466328740119934
Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2s1,-0.8755084872245789
O=C(c1cccc(Cl)c1)N1CCN(CCc2ccccc2)CC1,-1.2547860145568848
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.7048896551132202
O=C(Nc1ccccc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9545539617538452
C[C@H](C(=O)N[C@H](C)c1ccc(Br)cc1)[NH+]1CCC(O)CC1,-1.0506852865219116
Cc1ccc(NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1,-1.525334119796753
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0355103015899658
Nc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.105610728263855
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.035185694694519
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1411149501800537
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2421115636825562
Fc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)cc1,-1.084593415260315
Cc1nnc(NC(=O)N2CCCC2c2ccc(F)cc2)s1,-0.7547286152839661
CC(C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+]3CCOCC3)C2)CC1,-0.9961096048355103
Cc1nc2c(s1)CN(C(=O)NCC1CC[NH+](C)CC1)CC2,-0.7205896377563477
O=C(Nc1ccc(O)cc1F)N1CCC(c2ccccc2)CC1,-1.0718648433685303
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.2720081806182861
Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.7236278653144836
O=C(Nc1ccc(F)c(Br)c1)C1(c2ncc[nH]2)CCCC1,-0.9467311501502991
Nc1ccc(CNC(=O)Cc2nc3ccccc3o2)cc1,-1.4966617822647095
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4342763423919678
Cc1nc(C)c(CNC(=O)c2ccc3c(c2)OCCO3)s1,-0.8446979522705078
O=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CC[NH2+]CC1,-1.379037618637085
Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.278083086013794
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.4872678518295288
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.549892544746399
NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1,-1.113541841506958
O=C(Nc1cc(-c2ccccc2)no1)N1CC[NH+]2CCC[C@@H]2C1,-1.155990719795227
O=C(NCc1cc2ccccc2o1)c1ccc2ccccc2n1,-1.0312148332595825
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.123148798942566
O=C(COc1cccc(O)c1)N1CCN(c2ccccc2)CC1,-1.4695144891738892
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1932928562164307
C[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1,-1.1603598594665527
Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)no1,-1.2151508331298828
C[C@H](OC1CCOCC1)C(=O)N1CCC[C@H](c2ccccc2)C1,-1.4634870290756226
Cc1nnc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.6639662384986877
[NH3+][C@H](CCc1ccc(Cl)cc1)C(=O)NCc1ccccc1,-1.4970521926879883
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.069860577583313
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.0616788864135742
Cc1ccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)cc1,-1.3823511600494385
c1ccc(Oc2ccc(C[NH+]3CCc4ccccc4C3)cc2)cc1,-1.361635684967041
Cc1cc(F)ccc1C(=O)Nc1cnn(-c2ccccc2)c1C,-0.804570198059082
CS(=O)(=O)[C@H]1CCC[C@H](C(=O)N2CCC(c3ccccc3)CC2)C1,-1.0760526657104492
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.27340567111969
C[C@@H]1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2179820537567139
CN1CCN(c2ccc(C(=O)NC3CCOCC3)cc2)C1=O,-1.3361800909042358
CC(C)Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1,-1.1975817680358887
CC1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-0.9885757565498352
O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7274162769317627
Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1F,-1.3124223947525024
C[NH+]1CCC(CNC(=O)Nc2ccccc2)CC1,-1.6708900928497314
COc1ccc(C[NH+]2Cc3ncnn3C[C@H]2c2ccccc2)cc1,-0.9522876739501953
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3747655153274536
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0867512226104736
C[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cccc(Br)c1,-1.212210774421692
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.298065423965454
O=C(CCCC[NH+]1CCCCC1)NCc1nc2ccccc2s1,-1.1538798809051514
O=C(NC1CCCC1)N1CCC[C@H]1c1ccc(F)c(F)c1,-0.9958322048187256
Cc1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.4355143308639526
COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1,-1.1182833909988403
CC(=O)Nc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1,-1.4298605918884277
Cc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1,-1.2045751810073853
C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1,-1.1852365732192993
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.685807466506958
O=C1Cc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2N1,-1.0095819234848022
Cc1ccc(N)cc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0508873462677002
Cc1ccc(C[NH+]2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1,-0.5462632179260254
O=C(Nc1cc(Cl)ccc1F)c1ccc(-c2ccccc2)cc1,-0.9670411944389343
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2772302627563477
C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCO1,-1.3382271528244019
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0296157598495483
Cc1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)no1,-1.4362568855285645
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.257846474647522
CC1(C)CN(CC2CCC(Cc3ccccc3)CC2)CCN1,-1.4988067150115967
CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(Br)c1,-1.441819190979004
Cc1ccc(F)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1739548444747925
Fc1cccc(C(Nc2ccccc2)c2ccc(Cl)cc2)c1,-1.182908058166504
O=C(NCCCF)Nc1ccc(N2CCOCC2)cc1,-1.6027278900146484
C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CCCC2)C1,-1.5657711029052734
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.124272346496582
CC1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2192597389221191
O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8745734691619873
O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccc(F)nc1,-0.9386600852012634
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.539666771888733
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.1065163612365723
CCc1ccc(C)cc1NC(=O)CCc1ccc(Br)cc1,-1.2029279470443726
O=C(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.6173673868179321
Cc1ccc(Cl)c(CC(=O)N[C@H](C)Cc2ccccc2)c1,-1.2919785976409912
O=C(NCCc1cccs1)Nc1ccc(Br)cc1,-1.5807751417160034
Fc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1,-1.0464376211166382
Clc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.3521842956542969
O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccn(C2CCCCC2)n1,-1.117761254310608
Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.077458143234253
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.282393455505371
c1ccc(C[NH+]2CC[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1,-1.4745275974273682
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(I)cc2)C1,-1.172383427619934
c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.3966525793075562
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)c(N2CCOCC2)c1,-1.1245553493499756
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0693517923355103
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)CC1)c1ccccn1,-1.1324567794799805
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.901511549949646
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cn1,-0.9892669320106506
[NH3+]c1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0964804887771606
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070007085800171
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839854717254639
COC(=O)c1ccc(C(=O)NC2CCCCC2)cc1,-1.5910717248916626
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5130598545074463
CC1(O)CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.4374679327011108
O=C(NC1CC1)N1CCCC1N1CCC2(CCCO2)CC1,-1.4157724380493164
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1371370553970337
O=C(N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)C1CCCCC1,-1.131832480430603
O=C(N[C@H]1CCCO[C@@H]1c1ccccc1F)c1ccc(O)cc1,-1.1308603286743164
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.053146243095398
c1ccc([C@H]2CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1,-1.4213333129882812
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4667015075683594
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.0066468715667725
Cc1ccc(CN2CCN(C(O)=NCC(O)c3ccccc3)CC2)cc1,-1.233264446258545
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0040775537490845
CN(CC(O)=NCC1CCCCC1)C(=O)c1ccc(Br)cc1,-1.2946853637695312
Cc1ccc(N2CCN(C(=O)Nc3ccncc3C)CC2)cc1,-1.16011381149292
C[NH+]1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1,-1.2894506454467773
O=C(Cc1ccccc1)NCC[NH+]1CCCC2(CCCCC2)C1,-1.5610591173171997
O=C(c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1,-1.354988694190979
Cc1cc(Br)cc(C[NH+]2CCN(Cc3ccccc3)CC2)c1,-1.2948640584945679
O=C(c1ccc(Cl)cc1Cl)N1CCC(Oc2ccccc2)CC1,-0.9544734954833984
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,-0.8124068975448608
Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-0.9791619777679443
c1ccc(CN2CCC3(C2)OCC3CC2CCCCC2)cc1,-1.610624074935913
c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1,-1.3046594858169556
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3632805347442627
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.0369852781295776
Cc1ccc(-n2ccc(C(=O)Nc3cc(C)on3)n2)cc1,-1.189176321029663
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.0966535806655884
O=C(Nc1ccc(F)cc1)c1ccc(N2CCNC2=O)cc1,-1.1303995847702026
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5501620769500732
CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.3298075199127197
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.227443814277649
O=C(Nc1ccc(Cl)cc1)N1CCC[NH+](C2CCCCC2)CC1,-1.1489856243133545
Oc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.3110358715057373
O=C(NC1CCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1,-0.999131441116333
CC(=O)Nc1ccc(COc2ccccc2)cc1,-1.6981266736984253
O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(O)cc1,-0.984330952167511
Nc1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.100298285484314
O=C(Nc1ccc(-c2ccc(F)cc2)nc1Cl)c1ccccc1,-0.851804792881012
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3N)CC2)cc1,-1.115096092224121
O=C(c1ccc(F)cc1)N1CCNCC1,-1.673695683479309
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000514268875122
CCc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1,-1.5672181844711304
O=S(=O)(c1ccc(F)cc1)N1C[C@H](O)C[C@H]1Cc1ccccc1,-1.4582103490829468
Cc1occc1C(=O)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.8734065294265747
O=C(COc1ccc(F)cc1)Nc1cccc2ncsc12,-1.1516045331954956
Fc1ccc(N2CCSCC2)c(F)c1,-1.3963727951049805
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.7757441401481628
CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1,-0.7245919704437256
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0302752256393433
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123122453689575
O=C(CN=C(O)CNCc1ccccc1)c1ccc(Cl)cc1,-1.4744293689727783
COc1ccc(C(=O)NCc2ncc(C)o2)cc1,-1.6186091899871826
O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(-c2ccccc2)n1,-1.177973747253418
C[C@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1,-0.9442788362503052
Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0338904857635498
O=C(N[C@H]1CCCC[C@H]1c1cccc(F)c1)c1ccccc1F,-0.8998858332633972
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0791041851043701
CC(C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(F)(F)F,-0.7839075922966003
O=C(NCc1ccc(O)c(F)c1)c1ccc2[nH]ccc2c1,-1.09097421169281
CC1(NC(=O)C2CCOCC2)CCN(CC(F)(F)F)CC1,-1.4535499811172485
Cc1cc(F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1,-0.9247419238090515
C[NH+]1CCCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1,-1.2965987920761108
Cc1ccc(Oc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1,-1.4920051097869873
O=C(NCC[C@@H]1CCCO1)Nc1ccc(Br)cc1,-1.5718965530395508
CCC(N=C(O)CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1,-1.0220873355865479
O=C1CCC[C@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.3500499725341797
C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)C1,-1.005759835243225
Cc1nc2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2o1,-1.1224950551986694
Cc1cc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)no1,-1.4671499729156494
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0317434072494507
Cc1cccnc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1,-1.0019224882125854
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.210255742073059
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0845359563827515
O=C(C[NH+]1CC[NH+]2CCC[C@@H]2C1)NCc1cccc(Cl)c1,-1.2538706064224243
O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccccc1,-1.4440733194351196
O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl,-0.8528864979743958
Cc1cccnc1NC(=O)c1ccc(N2CCC([NH3+])CC2)cc1,-0.9758967161178589
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)nc1,-0.9609805941581726
Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.3013533353805542
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0152204036712646
COc1ccc(CCNC(=O)[C@@H]2CCCC[NH+]2C)cc1,-1.5475374460220337
O=C([O-])CCNC(=O)N1CCN(c2ccc(F)cc2F)CC1,-0.9498593807220459
O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3363981246948242
CC(C)(C)C(=O)NCc1ccc(N2CCCC2=O)cc1,-1.3316396474838257
CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.1155189275741577
O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0689454078674316
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000513076782227
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.1886026859283447
Cc1ccc(Oc2ccc(C(=O)N3CCOCC3)cc2)c(Cl)c1,-1.0810973644256592
Cc1ccc(F)c(C[NH+]2CCN(C(=O)c3conc3C)CC2)c1,-0.9270898103713989
Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)nn1,-1.1978164911270142
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(Cl)c2)n[nH]1,-1.1490368843078613
Cc1cccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)c1,-1.068422555923462
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1341009140014648
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.144830584526062
C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1,-1.2982698678970337
C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0435460805892944
C[NH+]1CCC(CNC(=O)NC2CCCCC2)CC1,-1.6452864408493042
Cc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1,-1.0610313415527344
Nc1ccc(F)c(CNC(=O)c2ccc3c(c2)OCO3)c1,-1.023655891418457
Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1F,-1.1985396146774292
O=C(NCc1cc2ccccc2o1)c1cc(F)cc(Cl)c1,-1.037145972251892
O=C(NCc1ccc(Br)cn1)N1CCC2(CCCC2)CC1,-1.2126307487487793
C[NH+]1CCC[C@@H](C(=O)NC2CC(c3cccc(Br)c3)C2)C1,-1.017151951789856
C[C@@H]1CN(C(=O)NCCCc2cccc(Cl)c2)C[C@H](C)O1,-1.3726826906204224
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111629486083984
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.206517219543457
C[NH+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.244887113571167
Cc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)no1,-1.1485612392425537
Cc1ccc(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)s1,-1.191390037536621
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9764898419380188
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069535255432129
O=C(NC1CC(C2CCC2)C1)N1CCC[C@@H]([NH+]2CCCCC2)C1,-1.114443063735962
C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6621202230453491
Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl,-1.104811668395996
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.8842682838439941
O=C1CCC[C@@H](NC(=O)N2CCC(c3ccccc3)CC2)C1,-1.3358678817749023
Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1503981351852417
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)on1,-1.114795446395874
Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.182203769683838
CC(C)(C)C1CCN(C=O)CC1,-1.816731333732605
O=C(NCc1ccc(O)c(F)c1)[C@H]1Cc2ccccc2O1,-1.1954196691513062
Cc1cc(C(=O)Nc2nnc(C3CCCC3)s2)ccc1F,-0.7510920763015747
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4636789560317993
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7639071941375732
O=C(NC1CCOC1)C(=O)N1CCN(c2ccccc2)CC1,-1.4817607402801514
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.0874643325805664
Cn1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2n1,-0.8410384058952332
Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-1.0314297676086426
CC1CCCC(CNc2ccc(O)cc2)(c2ccccc2)C1,-1.5112496614456177
O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9157293438911438
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9649319648742676
O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.8986985683441162
CCOCC(=O)NCc1ccc(Br)c(Cl)c1,-1.5204627513885498
O=C(c1coc(-c2ccc(F)c(F)c2)n1)N1CCC2(CCO2)CC1,-0.8344253897666931
O=C(Cc1ccc(Br)cc1)NCC1CC2(CCC2)C1,-1.5099034309387207
C[C@H](NC(=O)Nc1ccccc1O)c1ccc(F)cc1,-1.375675082206726
Oc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.404958963394165
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1039103269577026
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9760599732398987
C[C@H]1CCCCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4453152418136597
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3577555418014526
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0150957107543945
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0649064779281616
O=C(NCc1ccccc1)c1ccc2[nH]c(=O)oc2c1,-1.52037513256073
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764970541000366
O=C(N[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1F,-1.118774652481079
O=C(NC1CCN(c2ccc(F)cc2)CC1)C1CCOc2ccccc21,-0.8208091855049133
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9418489336967468
O=C(Nc1ccccc1Br)c1ccc(-c2ccc(Cl)cc2)cc1,-0.8822949528694153
Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9612316489219666
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9767958521842957
COc1ccc(F)cc1NC(=O)Cc1ccc(Cl)cc1F,-0.8623654842376709
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.512995719909668
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3485934734344482
Cc1ccc(CNC(=O)C[NH+]2CCCCC2)cc1,-1.6774855852127075
Nc1cc(Cl)ccc1NCCOCc1ccccc1,-1.5591773986816406
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9623653888702393
Nc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0352517366409302
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9503387808799744
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9189953207969666
O=C(Cc1ccccc1)NCc1ccc2c(c1)OCCO2,-1.550392508506775
C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CCN1c1cccc(Cl)c1,-0.5329640507698059
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.180262565612793
O=C(C[NH+]1CCc2ccccc21)NCc1ccc(Br)cc1,-1.189016342163086
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)no1,-1.1149948835372925
Cc1ccc(CNc2ccc(Br)cc2N2CCOCC2)cc1,-1.281959056854248
Cc1c(F)cccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0272457599639893
N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1,-1.0755811929702759
Brc1ccc(COc2cc(I)ccc2-c2ccccc2)cc1,-1.025017499923706
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.026748776435852
C[NH+]1CCN(c2cccc(CNc3ccc(Cl)cc3)c2)CC1,-1.2111458778381348
O=C(NCC1CCCCC1)Nc1ccc(Br)nc1,-1.4978102445602417
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019423484802246
O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@@H]1c1ccccc1,-0.8774444460868835
Cc1ccc(CNC(=O)c2ccc3oc(C)nc3c2)cc1,-1.1271371841430664
O=C(c1ccc(O)cc1)N1CCC(Nc2ccccc2Br)CC1,-0.9972706437110901
O=C([C@@H]1CCC[C@H]1c1ccc(Br)cc1)N1CCC[C@@H]1CCCO,-1.0035667419433594
Cc1cc(C(=O)N2CCC([NH+]3CCC(C)(C)CC3)CC2)ccc1F,-0.8190090656280518
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2056884765625
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2194470167160034
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.7955921292304993
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1472138166427612
O=C(NCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1,-1.0689384937286377
CCCCCN=C(O)COc1ccccc1C(=O)N1CCCCC1,-1.5082850456237793
O=C(c1ncccc1I)N1CCC(Cc2ccc(F)cc2)CC1,-0.8653822541236877
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.473468542098999
Cc1ccc(-c2noc(COc3ccc(N)cc3)n2)c(F)c1,-0.9933485984802246
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.101367473602295
Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1,-1.4503253698349
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1,-1.2028262615203857
O=C(Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,-1.473656177520752
CC1(C)CC(NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.5396171808242798
C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCCO1,-1.4419692754745483
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299301862716675
CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.6194376945495605
Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.343632459640503
O=C(NCCCF)C1CC[NH+](Cc2ccccc2)CC1,-1.5900923013687134
Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.199005365371704
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cn1,-0.9791713953018188
Cc1ccc(-c2ccc(NCc3ccc(I)cc3)cc2)cc1,-1.173224687576294
Cc1ccc(NC(=O)[C@@H]2CN(c3ccccc3)CC[NH+]2C)cc1,-1.1713171005249023
Fc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3308902978897095
COC(=O)NC1CC[NH+](CCCc2ccccc2)CC1,-1.6370023488998413
CC(C)(CNC(=O)[C@@H]1CCCCO1)Cc1ccc(Br)cc1,-1.4904166460037231
CC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1,-1.3649790287017822
C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0277607440948486
C[C@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0444741249084473
O=C(Nc1cccc(Cl)c1)N1CCCN(c2ccccc2)CC1,-1.3827461004257202
O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCCC1,-1.0476881265640259
O=C(c1ccc(Cl)cc1F)N1CCC(Cc2ccccc2)CC1,-0.9464910626411438
CC([NH3+])C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1,-1.0619546175003052
Cc1cc(N)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0395206212997437
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110875129699707
[NH3+]C1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4503268003463745
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3892590999603271
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796257734298706
CN1CCCc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21,-0.45828676223754883
CC1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3811960220336914
O=C(NCc1ccccc1)N1CCO[C@H](CCCO)C1,-1.6469192504882812
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.2149670124053955
Cc1cc(NC(=O)N2CCC[C@H](CC(C)C)C2)ccc1Cl,-0.9771586656570435
CCC[NH+]1CCN(C(=O)Nc2ccc(CC)cc2)CC1,-1.5916191339492798
CC(C)(C)CC(=O)c1ccc(NCc2ccccc2)cc1,-1.6037101745605469
O=C(NC1CCCC1)C(=O)N1CCC[C@H](c2ccccc2)C1,-1.374781847000122
C[C@H](Nc1ccc(-c2ccccc2)nn1)C(=O)N1CCCCC1,-1.0706791877746582
Nc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)nc1,-1.062893033027649
[NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2F)C1,-1.033119559288025
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.1680775880813599
Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0423526763916016
O=C(N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H](F)C1,-0.9106658101081848
O=C(NCc1ccc(Cl)c(F)c1)[C@H]1C[C@@H]1C1CCOCC1,-1.0264891386032104
O=C(C[C@@H](O)c1ccc(Br)cc1)NCc1ccc(F)cc1,-1.2902172803878784
O=C(NC1CCCC[NH2+]C1)N1CCN(c2ccc(Cl)cc2)CC1,-1.0787816047668457
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.3463757038116455
O=C(COC1CCCCCC1)N1CCCC[C@H]1c1ccccc1,-1.4891148805618286
Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1253055334091187
O=C(NC[C@H]1CCCCO1)Nc1ccc(F)nc1,-1.6602509021759033
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.038732886314392
Cn1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1,-0.8396146297454834
C[C@H]1CN(C(=O)Nc2ccccc2[O-])CC[C@@H]1c1ccccc1,-1.0935417413711548
O=C1Cc2ccc(C(=O)NCC3CCOCC3)cc2N1,-1.4144883155822754
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.2187660932540894
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(O)cc2)CC1,-0.9598515629768372
CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4222259521484375
Fc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(Br)cc3)C2)cc1,-1.0600203275680542
O=C(NC1CCOCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9176598787307739
CCCCC(=O)N1CCN(c2ccc(NC(N)=O)cc2)CC1,-1.319195032119751
O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(O)cc1,-1.3812323808670044
O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1cccc(O)c1,-1.595929503440857
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2050998210906982
COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6392242908477783
CC(C)[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccccc1,-1.449951171875
Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9453768730163574
Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Br,-1.2222723960876465
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.121012568473816
Cc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.0420094728469849
O=C(c1ccc(Cl)cc1Cl)N1CCC(OC2CCCCC2)CC1,-0.7887610197067261
c1ccc(CNc2nc(-c3ccccc3)c3ccccc3n2)cc1,-0.9699123501777649
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.2869795560836792
O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-0.8992154002189636
O=C(CNOCc1ccccc1)Nc1cccc2cccnc12,-1.4551970958709717
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.1728829145431519
Cc1nn(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1F,-0.6732033491134644
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9792113304138184
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2425588369369507
O=C(Nc1cccc(N2CCOC2=O)c1)N1CCC[C@@H](F)C1,-1.1710467338562012
CC(=O)N1CCN(CC(=O)Nc2ccc(I)cc2)CC1,-1.2820338010787964
O=C(Cc1ccccc1Cl)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.1037627458572388
CC(C)(C)C(=O)Oc1ccc(N2CCC(C)(C)C2=O)cc1,-1.169437289237976
Cc1cccc(CC(=O)NC[C@@H](O)Cc2ccccc2)c1,-1.5893537998199463
CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.2511039972305298
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2009313106536865
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCc2ccc(Cl)cc2C1,-0.5008876323699951
Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.4881737232208252
O=C1CCC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1,-1.3974311351776123
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.0039499998092651
Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3156505823135376
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9914588332176208
Cc1ccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1,-1.3784290552139282
CC(C)[C@@H](C)C(=O)N1CCC(C(=O)NC(C)(C)C)CC1,-1.0113763809204102
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.690818190574646
Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.6129201650619507
O=C1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.3925106525421143
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-0.9770444631576538
CC1(C)CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-1.2350988388061523
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503647089004517
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4505743980407715
Cc1noc(C)c1NC(=O)c1ccc(-c2nccs2)cc1,-1.056868076324463
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1cccc(Cl)c1,-0.9715542197227478
O=C(N[C@@H]1CCC[C@@H]1O)c1csc(-c2cccc(O)c2)n1,-1.083860993385315
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1CCC(c2ccc(F)cc2)CC1,-0.9039421677589417
CCOC(=O)Nc1cc(C)nn1-c1ccccc1,-1.6036577224731445
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458269596099854
O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(I)c1,-1.1813809871673584
O=CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1,-1.6247085332870483
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8229954242706299
O=C(c1ccccc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.9449119567871094
CC[C@@H](O)CNC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.442062497138977
Cc1cc(O)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.2515716552734375
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(N)cc2)cc1,-1.024141550064087
CC(=O)c1ccccc1,-2.053985357284546
CC(C)CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,-0.6837189197540283
CC(C)c1[nH]nnc1C(=O)Nc1ccc2c(c1)OCCO2,-0.9432379007339478
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.431774377822876
Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2479114532470703
[NH3+]c1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.042480707168579
C[C@@H]1CCCCN1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9591609239578247
O=C1CCC(OCc2ccccc2)C(=O)N1C1CCCCC1,-1.4170066118240356
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4328656196594238
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846185684204102
O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCC1(F)F,-0.9072834253311157
Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2o1,-1.1945067644119263
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8861239552497864
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6730587482452393
O=C(NCC1CCC(O)CC1)c1ccc2c(c1)OCCO2,-1.387492299079895
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9962539076805115
CC1(C)CC([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1,-1.446928858757019
C[C@H](CC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)C(=O)[O-],-0.5553749799728394
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9939088821411133
C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2ccccc2)CC1,-1.3391469717025757
O=C(NC1CC(c2cccc(Br)c2)C1)c1ccc(F)cn1,-0.8663161993026733
CCc1cccc(CNC(=O)C2(O)CCCC2)c1,-1.6733169555664062
C[SH](=O)(O)c1ccccc1C(=O)NCC1CCCCC1,-1.55098557472229
C[C@@H](C(=O)NCCc1ccc(Cl)cc1)[NH+]1CCN(C)CC1,-1.2820380926132202
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc3[nH]ccc3c2)C1,-1.1223866939544678
CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.583044409751892
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cn2)CC1,-1.175408124923706
N[C@@H]1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.1797261238098145
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.451160192489624
O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1ccc2[nH]ncc2c1,-1.0210458040237427
O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)[C@@H]1CCCC[C@H]1O,-1.0530520677566528
C[C@@H]1CC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)[C@@H](C)C1,-1.3164697885513306
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2ccc(C)o2)cc1,-1.2446472644805908
O=C(Cc1nc2ccccc2s1)NCc1ccc(Cl)cc1,-1.0162585973739624
CC(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1,-1.520277976989746
Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.0942859649658203
Cc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.440382719039917
CCCCC(=O)NC1CCN(C(=O)c2ccc(N)cc2)CC1,-1.2881267070770264
CC(C)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1,-1.5135749578475952
O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCCO1,-1.4802601337432861
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9755766987800598
Cc1nnc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.7089028358459473
O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCC[C@H]2CCC[C@H]21,-1.123130202293396
CC(C)(O)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.6522408723831177
C[C@@H]1CN(c2cc(Cl)ccc2NC(=O)C(C)(C)C)C[C@H](C)O1,-0.8468683958053589
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2993367910385132
O=C([C@@H]1CCOC2(CCCCC2)C1)N1CCN(c2ccc(Br)cc2)CC1,-0.9576283693313599
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.066124677658081
NC(=O)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1,-1.2858681678771973
Cc1cnc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2F)cn1,-0.7733342051506042
C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.1311923265457153
O=C(Cc1ccc(I)cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.3209773302078247
Cc1cc(C)nc(-c2ccccc2)n1,-1.6106305122375488
NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4236040115356445
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750447988510132
CN1CCN(c2ccccc2F)CC1,-1.7311656475067139
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1711674928665161
Nc1cccc(C(=O)N2CCN(c3cc(F)cc(F)c3F)CC2)c1,-0.38845324516296387
O=C(Cc1ccco1)Nc1nc(-c2ccc(Cl)cc2)cs1,-1.155508279800415
C[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.0059524774551392
Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)cn1,-1.2780020236968994
O=C(NCc1cccc(F)c1)N1CCC2(CCOCC2)C1,-1.5394586324691772
COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1328978538513184
Cc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1,-1.1313930749893188
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0649086236953735
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4267488718032837
COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.5937834978103638
CC(Cc1ccccc1)NCCOc1ccccc1,-1.7109649181365967
c1ccc(C[NH+]2CCc3cnc(Oc4ccccc4)nc3C2)cc1,-1.1362652778625488
O=C(NC1CCCCCC1)N1CCN(c2cccc(F)c2)CC1,-1.1927028894424438
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4328757524490356
O=C(N[C@@H]1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1F,-0.9787342548370361
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2268236875534058
Cc1nnc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)s1,-0.8853365778923035
Cc1ccc2c(CC(=O)NCC3CCOCC3)c[nH]c2c1,-1.3234018087387085
Cc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2[nH]1,-0.8734519481658936
CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5272932052612305
O=C1CN(C(=O)NC2CCOCC2)C[C@@H](c2ccccc2)N1,-1.428403377532959
CC1CC[NH+](Cc2ccc(Oc3ncc(Br)cn3)cc2)CC1,-1.0186443328857422
CCc1nc(CNC(=O)c2ccc(F)cc2)no1,-1.3827910423278809
O=C(Cc1ccncc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.3884385824203491
C[C@@H]1Cc2cc(CNCc3ccc(Cl)cc3)ccc2O1,-1.2628389596939087
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300173997879028
CC1Cc2cc(CNCc3cccc(F)c3)ccc2O1,-1.3352410793304443
C[NH+]1CCN(c2ccc(NCc3ccc(I)cc3)cc2)CC1,-1.1635576486587524
CC(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,-0.9281796813011169
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9023088812828064
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.194640040397644
Cc1ccc(N)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1097056865692139
O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)OCO2,-1.4458622932434082
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299301862716675
COc1ccc(CNC(=O)C2=CCCc3ccccc32)cc1,-1.4024102687835693
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0296462774276733
C[C@H]1CN(c2ccc(Cl)cc2)CC[C@H]1[NH2+]Cc1ccccc1,-1.2409776449203491
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839778423309326
Cc1ccc(C2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-1.0864126682281494
Fc1cc(OCc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.1425371170043945
C[C@H](NC(=O)N1CCCC2(CCC2)C1)c1cccc(F)c1,-1.2658151388168335
CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.2354623079299927
CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2165342569351196
O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5947163105010986
Nc1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1,-0.9351093173027039
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-1.0563416481018066
CC1CN(c2ccc(CNC3CCOCC3)cc2)CC(C)O1,-1.4895248413085938
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3679367303848267
Cc1ccc2cc(C(=O)NCc3ccc(O)cc3)oc2c1,-1.2899986505508423
COc1cccc(CC2CCN(CS(C)(=O)=O)CC2)c1,-1.5778884887695312
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0061194896697998
Nc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-0.9862427711486816
OC1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.4750217199325562
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-1.4252676963806152
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3736594915390015
O=C(NCc1ccc(F)nc1)N1CCC2(CCOCC2)C1,-1.5083177089691162
C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[NH+](C)C1,-1.3240216970443726
O=C(Nc1ccccc1)N1CCCN(c2ccc(F)cc2)CC1,-1.466292381286621
C[NH+]1CC[C@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1,-0.9336122870445251
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5063928365707397
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8864912390708923
Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.189484715461731
C[NH+](C)C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1,-1.041002631187439
Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(=O)[nH]1,-1.1483174562454224
CC(=O)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1,-1.0311781167984009
Cc1ccc(N2CCN(C(=O)c3ccc4cc(F)ccc4n3)CC2)cc1,-0.5315956473350525
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(Cl)c1,-0.9621729254722595
O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCc2sccc2C1,-0.931842565536499
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9703409671783447
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCC(C)C,-1.5665985345840454
Nc1ccc(NC(=O)N2CCN(c3ccccc3Br)CC2)cc1,-0.9245660305023193
Cc1ccc(N(C)C(=O)c2ccc(N3CCOCC3)cc2)cc1,-1.19408118724823
C[C@H]1C[NH+](CC(=O)Nc2ccccc2)CCN1c1ccccc1,-1.4643925428390503
C[C@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1,-1.1108471155166626
O=C(COc1ccccc1)N1CCC(N2CCCC2=O)CC1,-1.4722390174865723
Nc1ccc(CN2CCN(CC3CCCCC3)CC2)cc1Cl,-1.0256075859069824
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1042135953903198
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273574590682983
Cc1noc(CCC(=O)N2CCC(Cc3ccccc3)CC2)n1,-1.2938430309295654
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536210536956787
Cn1c(-c2ccccc2)nnc1N1CCCC1Cc1ccccc1,-0.958897590637207
Cc1cccc(CNC(=O)Cc2nc3ccccc3o2)c1,-1.407380223274231
CCCCCCc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.5352710485458374
C[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2)C1,-1.6361351013183594
O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCN(c2ccccc2)C1,-1.094826579093933
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-1.0398752689361572
O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1csc2ccccc12,-1.0909894704818726
O=C(C[C@H]1C[C@@H]1C1CCOCC1)NCc1ccc(Cl)cc1,-1.3472058773040771
Cc1cc(O)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.1797739267349243
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2751506567001343
CC1CCN(Cc2ccccc2)C1,-1.8519691228866577
C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1C[NH3+],-1.0476367473602295
C[C@H]1Cc2cc(C(=O)NCc3ccccc3F)ccc2O1,-1.1182844638824463
CCN1CCN(Cc2ccc(OC(C)C)cc2)CC1,-1.6109386682510376
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cnn(C)c2)c1,-1.1593047380447388
O=C(N[C@H]1CC12CCOCC2)N1CCN(c2ccccc2)CC1,-1.5110255479812622
C[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C(F)(F)F,-0.5526480674743652
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571022987365723
Fc1cc(NCc2ccc(Br)cc2)ccc1-c1ccccc1,-1.1010768413543701
Cn1cc(NC(=O)c2ncc(-c3ccc(Cl)cc3)s2)cn1,-0.9590880274772644
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4545315504074097
Fc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1901075839996338
CC(C)(CC(=O)NCc1ccccc1)c1ccc(Br)cc1,-1.4543076753616333
Cc1ccccc1NC(=O)N1CCC[C@H](N2CC[NH+](C)CC2)C1,-1.150059700012207
O=C(NCc1ccc(F)cc1)c1nc2cc(F)ccc2o1,-1.0144498348236084
COc1ccc(C(=O)NCc2cnn(C)c2)cc1,-1.6116514205932617
O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1,-1.0340675115585327
O=CNc1ccc(Br)cc1,-1.8243345022201538
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-1.025495171546936
CC1(O)CCN(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C2)C1,-1.5280829668045044
Oc1cc(NCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.0780609846115112
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0176382064819336
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2500814199447632
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.137617588043213
CCCNC(=O)c1ccc(N2Cc3ccccc3C2=O)cc1,-1.2147867679595947
CC1CCN(Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1,-1.411672592163086
Cc1ccc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2n1,-0.4593227505683899
CC[C@H]1CCC[C@H](C(=O)NCc2cc(C)on2)C1,-1.5230363607406616
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904525756835938
COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1,-1.1074998378753662
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0314342975616455
O=C(Cc1ccco1)N1CCN(C(=O)c2ccccc2)CC1,-1.5027719736099243
Cc1cccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)c1,-1.0243418216705322
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060103178024292
O=C(NC1CC(c2cccc(Br)c2)C1)c1ccc(F)nc1,-0.9014747738838196
Cc1ccc(F)c(C(=O)Nc2cccc(-c3ccccc3)c2)c1,-1.1030681133270264
O=C(c1ccc(-c2nc3ccccc3s2)cc1)N1CCS(=O)(=O)C1,-0.8478261232376099
O=C(NCC1CCCCC1)N1CCOC2(CCCCCCC2)C1,-1.553088903427124
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.64103364944458
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-1.0001288652420044
C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.140099048614502
Cc1ccc(CNC(=O)c2ccc3oc(C)nc3c2)cn1,-1.0485941171646118
O=C(CCN=C(O)Cc1ccccc1)OCc1ccccc1,-1.6144568920135498
CC1(C)C[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1,-1.5318188667297363
O=C(NC[C@H]1CCC2(CCOCC2)C1)c1ccc(F)cn1,-1.4702013731002808
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Br,-0.9133440256118774
O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.4957466125488281
Cc1cccc(CC(=O)N[C@@H](CO)c2ccc(Br)cc2)c1,-1.33466374874115
Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2481328248977661
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.0599677562713623
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6935876607894897
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.8427106738090515
CCOc1ccc(NC(=O)c2cnc(C)s2)cc1,-1.4774729013442993
O=C(NCC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1,-1.5646008253097534
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)no1,-1.1140108108520508
Oc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1O,-1.5240137577056885
Cc1ccc(C(=O)NCC(=O)c2cccc(Cl)c2)cc1,-1.4564414024353027
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2083444595336914
Cc1ccc(NC(=O)C2CCCCC2)c(N2CCCC2=O)c1,-1.093705654144287
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0806459188461304
Nc1cc(F)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.0173276662826538
Cc1ccc(C(=O)NCc2ccc3nc(C)sc3c2)cc1,-0.9352483153343201
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1F,-0.9748874306678772
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.2071083784103394
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.10233473777771
Cc1ccc(F)cc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1,-1.0337508916854858
O=C(c1ccccc1F)N1CCCC(Cc2ccc(O)cc2)C1,-1.2411463260650635
C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1,-1.2547804117202759
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023210287094116
O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.3328291177749634
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0395351648330688
O=C(CCCOc1ccc(F)cc1)Nc1ccc(Cl)cc1,-1.5029340982437134
C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCO3)CC1,-1.2530275583267212
O=C(N[C@@H]1CCN(c2cccc(O)c2)C1=O)c1ccccc1,-1.244998574256897
C[C@H]1C[C@@H](NC(=O)C[NH+]2CCOCC2)CC[C@@H]1c1ccccc1,-1.3782914876937866
CC1CCN(C(=O)NC2CCN(CC(C)(C)O)CC2)CC1,-1.4553592205047607
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1565457582473755
CC1CCN(c2cccc(COc3ccc(Cl)cc3)c2)CC1,-1.2215427160263062
O=C(Nc1ccc(F)cc1)C1CC(c2ccc(F)cc2)C1,-1.1154221296310425
Cc1nc2c(s1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.7167380452156067
CC(C)(Cc1ccc(F)cc1)C(=O)OCc1ccccc1,-1.556713342666626
[NH3+]CCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.615613579750061
O=C(c1ccc(F)cc1F)N1CCCC[C@H]1Cc1ccccc1,-0.9672900438308716
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1503758430480957
Cc1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1,-1.1566652059555054
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212523341178894
C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1,-1.1498433351516724
O=C(CCc1ccc(Cl)cc1)NCCc1ccc(Br)cc1,-1.3389768600463867
CCCOc1ccc(Br)c(C(=O)NC2CCOCC2)c1,-1.4533947706222534
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1,-1.1630918979644775
CC1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4955964088439941
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2745693922042847
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4663379192352295
N#Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1,-1.4793668985366821
C[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1cccc(Br)c1,-1.3818193674087524
C[C@@H]1CCC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)C1,-1.367752194404602
Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.264983057975769
C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1993911266326904
[NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(F)cc1,-1.0623136758804321
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)nn1,-0.782357394695282
Cn1cc(NC(=O)C[C@@H]2CCC[NH+]2C2CCCCC2)cn1,-1.3492152690887451
CC(C)CNC(=O)N1CCC(c2ccc3ccccc3n2)CC1,-0.9135997891426086
Nc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)cc1Cl,-0.853956401348114
Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0431571006774902
C[C@H]1CCCCN(C(=O)NCc2ccc3c(c2)CCC3)C1,-1.232797384262085
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0705822706222534
CC(C)(C(=O)NCc1ccc(Br)cc1Cl)c1ccccc1,-0.967522919178009
OC(CNCc1ccccc1)=NCCc1nc2ccccc2[nH]1,-1.3267526626586914
CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1640172004699707
CC[NH+]1CC[C@@H](CNC(=O)c2ccc(Br)cn2)C1,-1.32407546043396
O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.0208771228790283
Fc1ccc(N2CCC(COc3ccc(Br)cc3)CC2)cc1,-1.1616439819335938
C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8911421298980713
CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4287391901016235
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5714915990829468
O=C1CCC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1,-1.3478494882583618
COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6427137851715088
CN(C)c1ccc(C(=O)N2CCC(C(C)(C)O)CC2)cc1,-1.1718363761901855
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4866015911102295
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1,-1.1033716201782227
O=C(Nc1ccccc1F)C1(c2ccc(Cl)cc2)CCOCC1,-1.171732783317566
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.45917150378227234
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.274255394935608
O=C1CCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.6505847573280334
[NH3+][C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.8690502047538757
O=C(c1ccc(Br)cc1)N1CCN(CC[NH+]2CCCCC2)CC1,-1.2594002485275269
O=C(NC1(c2cccc(F)c2)CCC1)c1ccc(F)cc1,-1.2244664430618286
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.2840932607650757
O=C(Nc1cccc(Cl)c1)N[C@@H]1CCOC2(CCCC2)C1,-1.5070172548294067
Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1,-0.8112124800682068
O=C(Nc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1F,-1.0528876781463623
Cc1ccc(Br)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-0.9998977184295654
CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1,-1.1256004571914673
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.1610137224197388
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.1196362972259521
O=C(NCC[NH+]1CCCC1)Nc1ccc(Br)cc1,-1.5642272233963013
O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.2158228158950806
O=C(NCC1CCOCC1)[C@H]1C[C@@H]1c1cccs1,-1.581991195678711
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.066038727760315
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.107450246810913
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.26857590675354
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671179294586182
O=C(Nc1ccc(F)cc1)N[C@H]1CCC2(CCOCC2)C1,-1.5491160154342651
Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1,-0.7630442380905151
O=C(NCc1cc2ccc(Br)cc2o1)c1ccc(Cl)cc1,-0.9475045800209045
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033786535263062
CC(C)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1,-1.0828174352645874
CC(=O)c1cccc(NC(=O)c2ccc(O)c(Br)c2)c1,-1.0804368257522583
c1ccc(N2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1,-1.2254090309143066
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1,-0.8124439120292664
Cc1c(NC(=O)COC2CCCCC2)sc2c1CCCC2,-1.005981683731079
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6887421607971191
c1c(C2CCCCC2)noc1CNC1CC2(CCCCC2)C1,-1.5022306442260742
Cc1nc2ccc(C(=O)NCCCc3ccccc3C)cc2[nH]1,-0.9125317335128784
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1236696243286133
Clc1cccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)c1,-1.2047544717788696
C[C@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.0386145114898682
O=C(CC[NH+]1CCCCC1)Nc1ccc(C2CCCCC2)cc1,-1.4956380128860474
Nc1cccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1,-1.5139261484146118
C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.372440218925476
CC(C)(O)C(=O)NC1CC[NH+](Cc2ccccc2Br)CC1,-1.325729489326477
COc1cccc(C(=O)N2CCC(c3ccc(Cl)nc3)CC2)c1,-0.9033294916152954
Cc1cc(N)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-1.0629587173461914
O=C(NCC1CC2(CCC2)C1)[C@H]1CCCC(F)(F)C1,-1.3395946025848389
O=C(NCc1c2ccccc2n2ccccc12)c1ccccc1,-1.0172085762023926
C[C@H]1C[NH+](CCNC(=O)CCc2ccc(Br)cc2)CCO1,-1.4771300554275513
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750905275344849
c1ccc(CNc2cc3ccccc3cc2-c2ccccc2)cc1,-1.20331871509552
Cc1ncc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.0615700483322144
COc1ccc([C@@H]2C[C@H](C)C[NH+]2Cc2ccc(F)cc2)cc1,-1.17109215259552
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1970022916793823
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9762964248657227
Cc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1,-1.2062761783599854
Cc1nc(NCc2ccccc2)cc(-c2ccc(F)cc2)n1,-1.0992809534072876
O=C(Cc1cccs1)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1,-1.2896517515182495
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.3049976825714111
N=C(O)CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,-1.4811328649520874
Cc1ccccc1C(=O)N1CCCC[C@H]1Cc1ccc(Cl)cc1,-1.0698217153549194
O=C1[C@H](Nc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.4789535999298096
N#Cc1cccc(C(=O)NCc2cccc3ccccc23)c1,-1.195261836051941
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N1CCCCCC1,-1.344871997833252
Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7227174043655396
CC(C)(C)CNC(=O)COc1ccc2c(c1)CCO2,-1.5827984809875488
Cc1ccc(C(=O)Nc2ccc(C3CCCCCC3)cc2)cc1,-1.3341529369354248
Cc1ccc(CNC(=O)c2cc3ccc(F)cc3o2)cc1,-1.1830519437789917
CN1CCN(Cc2ccccc2)[C@H](Cc2ccc(F)cc2)C1,-1.4928919076919556
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.278151512145996
C[C@@H]1CN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1,-1.0282949209213257
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0939562320709229
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.0554932355880737
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0855282545089722
CC1CCN(CC[NH+]2CCN(C(=O)c3ccccc3)CC2)CC1,-1.409540057182312
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0081281661987305
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8680018782615662
Cc1cccc(NC(=O)N2CCCN(c3ccccc3)CC2)n1,-1.2385767698287964
Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.0270860195159912
Nc1cc(NCc2ccc(C3CCCCC3)cc2)ccc1Br,-1.033394455909729
O=C(C[NH+]1CCC[C@H](C2CCOCC2)C1)NCC1CCCCC1,-1.5432147979736328
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1047790050506592
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9231341481208801
Oc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.5258569717407227
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)cc1,-1.1823272705078125
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc1,-1.326761245727539
C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1F,-1.433336615562439
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-0.997901201248169
CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2380958795547485
Cc1ccc(NC(=O)c2cccc(C3CCCCC3)c2)c(N)c1,-0.9929355978965759
Cc1cc2c(s1)C[NH+](CC(=O)NCc1ccccc1)CC2,-1.2540929317474365
C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.217052936553955
CC[C@H]1CCCN(C(=O)NCc2csc(C)n2)C1,-1.2651938199996948
Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.0987766981124878
CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1,-1.4417228698730469
Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cn1,-0.9825196862220764
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)o1,-1.238006353378296
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9625949263572693
Cc1nc2c(o1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9929802417755127
Cc1cc(CCNC(=O)c2ccc(F)cc2)nc2ccccc12,-0.869279146194458
Nc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.4362963438034058
CN1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2)C1=O,-1.1105533838272095
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8971583843231201
Cn1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)n1,-1.2239950895309448
Fc1cc(F)cc(C[NH+]2CC[C@H](Oc3ccccc3F)C2)c1,-1.0806142091751099
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567828178405762
O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4272751808166504
CCOc1ccccc1NC(=O)c1ccc(Br)o1,-1.5140091180801392
Cc1nc(Cl)c(NC(=O)C2CCOCC2)cc1-c1ccccc1,-0.8057754635810852
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1038602590560913
CCCCCc1cc(C(=O)NCC[NH+]2CCCC2)no1,-1.6087433099746704
CC(C)(C)CCC(=O)Nc1ccc(NCC(N)=O)cc1,-1.573063850402832
Cc1cc(N)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.051785945892334
O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC[C@H](c2ccccc2)C1,-1.1350765228271484
O=C(NCc1nc2ccc(Br)cc2[nH]1)c1cccc(Br)c1,-0.6881456971168518
O[C@@H](CC1CC[NH+](Cc2ccc(F)cc2F)CC1)c1ccccc1,-1.0728048086166382
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3719863891601562
CC(C)(C)CC(=O)Nc1ccc(OCCC(N)=O)cc1,-1.5953450202941895
Cc1nnc([C@@H](C)NC(=O)N2CCC3(CCCC3)CC2)s1,-0.9105731844902039
Nc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.3532999753952026
CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(I)cc2)CC1,-1.382302165031433
O=C(c1ccc(F)cc1)N1CCC[C@]2(CCCN(c3ccccc3)C2)C1,-1.0274120569229126
Cc1cc(NCc2cccc(-c3ccccc3)c2)nc(C)n1,-1.1848044395446777
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(Cl)cc2)CC1,-0.8245447874069214
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9458369016647339
CC[C@@H](C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.445642352104187
O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2F)CC1,-1.115557312965393
CC1(C)Cc2cc(NC(=O)c3ccc4ccccc4c3)ccc2O1,-1.0163027048110962
O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(O)nc1,-1.6417216062545776
COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6027779579162598
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3618823289871216
COc1ccc(C(=O)NCc2ccn(C)c2)cc1,-1.684466004371643
OC(CNC1CCCCC1)=NC1COCCN1Cc1cccs1,-1.5119636058807373
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1F,-1.2378429174423218
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.5485635995864868
O=C(NCCc1ccc(Br)cc1)N1CCC2(CCCC2)C1,-1.4330081939697266
CC(C)c1nc(CC(=O)N2CCN(c3ccccc3)CC2)no1,-1.0234134197235107
CCCCc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1,-1.4651612043380737
O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCC1,-1.3488316535949707
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748075604438782
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1428581476211548
O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9034542441368103
Cc1ccc(C(=O)N2CCC(NC(=O)CCCF)CC2)cc1,-1.2863869667053223
CCc1ccc(NC(=O)c2cc3c(s2)CC[C@@H]([NH3+])C3)cc1,-0.9281827807426453
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7364611625671387
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.080394983291626
C[NH+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1,-1.007865309715271
O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.622450828552246
Nc1c(F)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.101934790611267
Cc1cnccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0030748844146729
O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0921705961227417
CC1(C)CC[C@H](NC(=O)c2cn[nH]c2-c2ccccc2)C1,-1.2336914539337158
CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.5927400588989258
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0238070487976074
C[NH+]1CCC[C@@H](CNC(=O)CCCc2ccc(O)cc2)C1,-1.5525389909744263
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.9198328256607056
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6718684434890747
CC(C)(CC(=O)NCC1CCCCC1)c1ccc(Cl)cc1,-1.34553861618042
C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.3372684717178345
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)cc1C,-1.4933552742004395
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1029165983200073
O=C(c1ccc(C(=O)N2CCC(O)C2)cc1)N1CCCCC1,-1.2797973155975342
O=C(Cc1ccc(F)cc1)NCc1cnc2ccccn12,-1.2476953268051147
O=C(Nc1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1,-1.24772310256958
O=C(Nc1ccc(O)cc1F)c1cccc(N2CCOCC2)c1,-1.1396894454956055
Cc1ccc(C2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1486743688583374
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)nc1,-0.9302205443382263
Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)no1,-0.789330780506134
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cn1,-0.858180820941925
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1583819389343262
Cc1cc(O)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.128501534461975
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1,-1.0545376539230347
Clc1ccc(C[NH2+][C@H]2CCCN(c3ccc(Br)cc3)C2)cc1,-0.9980949759483337
O=C(c1ccc(C2CC2)cc1)N1CCN(c2ccccc2)CC1,-1.129001259803772
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0995395183563232
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.8651760220527649
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9507333040237427
O=C(Nc1ccc(O)cc1F)N1CCC(c2ccccc2)CC1,-1.0738402605056763
O=C(N[C@H]1CC[C@H](F)C1)N1CC[C@@H](c2ccc(Cl)cc2)C1,-0.9396499991416931
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1309235095977783
C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCO1,-1.2727415561676025
COc1ccc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0113701820373535
NC(=O)c1ccc2nc[nH]c2c1,-1.8035084009170532
COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-1.0202782154083252
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.154335856437683
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.2821332216262817
C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.3694508075714111
c1ccc(CNC2CN(Cc3ccccc3)C2)cc1,-1.6759746074676514
CC(C)C(C)(O)CNC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1,-1.6282498836517334
O=C(NCc1ccccc1)N1CCC(O)C2(CCCC2)C1,-1.550323486328125
Nc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9238150119781494
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0153635740280151
C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)CC1,-0.983815610408783
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.469132661819458
Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1075084209442139
Cc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1,-1.1507160663604736
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.209439754486084
CC1Cc2cc(CNCc3cccc(F)c3)ccc2O1,-1.337955355644226
Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0038560628890991
O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9675360321998596
CC(C)c1ccc(N)c(NC(=O)c2ccc(F)c(F)c2)c1,-0.7278717160224915
O=C(NCc1cccc(Br)c1)N1CCC2(CCCC2)CC1,-1.3948746919631958
Cc1cc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1O,-1.1048706769943237
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-0.9960029125213623
c1ccc(CN2CC[C@]23CC[NH+](Cc2ccccc2)C3)cc1,-1.6086337566375732
O=C(Nc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1,-0.844099760055542
CC1(C)CCCN1C(=O)c1ccc(OCC(N)=O)cc1,-1.4427145719528198
Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.8699647188186646
COc1cc(C(=O)NCc2ccccc2)sc1C,-1.555554747581482
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2996875047683716
Cc1ccc(C(=O)N2CCN(C(=O)CC=Cc3ccccc3)CC2)cc1,-1.2174955606460571
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,-1.3175536394119263
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2224608659744263
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1609593629837036
CCc1ccc(C(=O)N[C@@H](CC(N)=O)C(C)(C)C)cc1,-1.4486922025680542
Cc1ccc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2c1,-0.5455378890037537
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1098331212997437
Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.9715887904167175
O=C(NCc1ccc(O)c(Cl)c1)c1cccc2c1OCO2,-1.0479586124420166
C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2203634977340698
O=C1CCC2(CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)N1,-1.0856029987335205
O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(O)cc1,-1.1266491413116455
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.105644702911377
c1ccc(Cc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)cc1,-1.15416419506073
O=C(Nc1ccc(F)cc1I)N1CCN(c2ccccc2)CC1,-0.9453073740005493
C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4344518184661865
Cc1ccc(CNc2cccc(-c3ccc(F)cc3)c2)cc1,-1.298038363456726
Cc1ccc(CNC(=O)c2cc3ccc(C)cc3o2)cc1,-1.2562288045883179
O=C(N[C@@H]1CC12CCOCC2)N1CCC(c2ccccc2)CC1,-1.4215420484542847
O=C(c1ccc2cc(O)ccc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.6309511661529541
O=C1CCCCN1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0203757286071777
Cc1ccc(NCc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.1663845777511597
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2378191947937012
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.4374393224716187
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2768453359603882
O=C(N[C@H]1CCN(c2ccccc2)C1)[C@H]1CCC(F)(F)C1,-1.3231167793273926
Cc1ccc(NC(=O)NCC2CCCCC2)nc1,-1.6239399909973145
CCCCC(=O)N1CCN(C(=O)COc2ccccc2)CC1,-1.5788332223892212
Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@H]2C)cc1,-1.5305699110031128
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.21800696849823
C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4490889310836792
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1,-1.4443259239196777
Cc1ccc(C(=O)N(C)C2CCN(c3ccccc3)CC2)cc1,-1.0967744588851929
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2206978797912598
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9975618124008179
Cc1ccn2cc(C(=O)NCc3cccc(F)c3)[nH+]c2c1,-1.1681681871414185
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1,-1.0082658529281616
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1484941244125366
Cc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.1695022583007812
COc1ccc(COc2ccc(C(C)C)cc2)cc1,-1.589359164237976
CC1CCC(C(=O)Nc2ccccc2N2CCCC2=O)CC1,-1.0765804052352905
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0562530755996704
O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1,-1.0335392951965332
CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.0767247676849365
Cc1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3258765935897827
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1658332347869873
C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9457109570503235
C[C@H]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCC[NH+](C)C2)CC1,-1.0027308464050293
C[C@H]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC(F)(F)F)C1,-0.9822191596031189
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2031630277633667
NC(=O)C(=O)Nc1ccc(N)cc1Cc1ccccc1,-1.399664282798767
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.2339446544647217
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4140983819961548
CC1(C)CN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)C1,-1.5029162168502808
C[C@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1,-1.0646631717681885
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.0125476121902466
Cc1cnc(NCc2nnnn2-c2ccc(Cl)cc2)c(C)c1,-0.5455933809280396
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874264001846313
O=C(c1ccc(F)cc1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1,-1.127868413925171
C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.9893708825111389
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852666139602661
CC1(Cl)CC[NH+](Cc2ccccc2)CC1,-1.6996941566467285
Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4167677164077759
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.1965497732162476
Fc1ccc(CNCCOc2ccccc2Br)cc1,-1.488531231880188
CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(Br)ccc1F,-0.9078998565673828
OC(CNc1ccccc1)=NCc1ccc(F)cc1,-1.6272282600402832
C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1,-1.5135993957519531
O=C(Nc1ccc(I)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8419630527496338
O=C(Cc1cccc(Cl)c1)N[C@H]1C[C@H](c2ccccc2)C1,-1.5103548765182495
C[NH+]1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1,-1.3913906812667847
[NH3+][C@H](CC(=O)NCc1cccc(F)c1)c1ccc(O)cc1,-1.5365039110183716
Nc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.1697564125061035
CN1CCC(NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1,-1.1084372997283936
O=C(Nc1cccc(O)c1)C1CCN(c2ccccc2Cl)CC1,-1.017853021621704
Cc1cccc(N2CCN(C(=O)COc3ccccc3)CC2)c1,-1.4582194089889526
CCCC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1,-1.581018328666687
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0447423458099365
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124931812286377
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)c(C)c1,-1.0652929544448853
COc1ccc(CC(=O)Nc2cc(Cl)c(F)cc2C)cc1,-0.9337335228919983
O=S(=O)(CC[NH+]1CCCCC1)NCc1ccc(Cl)cc1,-1.5624045133590698
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3114057779312134
COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9217938184738159
Cc1nc2c(o1)CN(C(=O)NCc1ccc(N)cc1)CC2,-1.0302398204803467
COc1ccccc1CNC(=O)c1cc(Br)c[nH]1,-1.4927700757980347
COc1ccc(CNC(=O)N2CC[C@@H](O)C2)cc1,-1.6299057006835938
O=C(Cn1cnc2ccccc21)NCc1ccc(Cl)cc1,-1.1849685907363892
CN1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.3652161359786987
C[NH+]1CCC(CCC(=O)NCc2ccc(Br)cc2Cl)CC1,-0.9445740580558777
O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.6808149814605713
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCC(F)(F)C1,-1.1408307552337646
O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccccc2)CC1,-1.0415127277374268
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.9992019534111023
C[C@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.2616459131240845
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617098569869995
O=C(N[C@@H]1CCCN(c2ccc(Br)cc2)C1)c1ccccc1Cl,-0.7943397164344788
CCC(CCC1CCCC1)C(=O)NCc1ccc(O)cc1,-1.5326040983200073
O=C(NCC1CCOCC1)N[C@H]1CCC[C@@H](O)C1,-1.6713961362838745
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2333333492279053
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2365953922271729
CC(C)CC(=O)NCC1CCN(c2cccc(F)c2)CC1,-1.26297128200531
Oc1nc(CNc2ccc(F)cc2)nc(-c2ccccc2)n1,-0.9630858302116394
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8681881427764893
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1565518379211426
Cc1csc(N2CC[C@H](NC(=O)c3ccc(Cl)cc3)C2)n1,-0.8843968510627747
C[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCCO1,-1.4862374067306519
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.1790196895599365
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.50914466381073
C[C@@H]1CCCC[NH+]1[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1,-0.8764595985412598
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.3983138799667358
O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(O)cc1,-1.5250277519226074
O=C(N[C@H]1CCC[C@@H]1c1ccc(Br)cc1)N1CC[C@H](O)C1,-1.1954524517059326
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924229621887207
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9550853371620178
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9890389442443848
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7597970366477966
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn2ccccc2[nH+]1,-0.9855163097381592
O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1Cl,-1.0400149822235107
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0113027095794678
CC1CCN(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)C1,-1.2950602769851685
N#Cc1ccc(NC(=O)c2ccoc2C2CCCCC2)cc1,-1.41622793674469
Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1F,-0.7298599481582642
Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1O,-1.463362693786621
O=C(Cc1ccccc1Br)N1CCN(Cc2ccccc2)CC1,-1.243351697921753
Cc1ccc(C(=O)N2CCC(CN3CCOC3=O)CC2)cc1,-1.2703341245651245
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5272986888885498
CCCNc1ccc(NC(=O)c2ccccc2N)cc1,-1.584428071975708
CC(C)[C@@H](F)C(=O)Nc1ccc(Cc2ccccc2)cc1,-1.4306002855300903
O=C(N[C@@H]1CC12CCC2)C1(c2ccccc2)CCOCC1,-1.6164227724075317
Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.1412941217422485
CCc1ccc(NC(=O)N2CCOCC3(CCOCC3)C2)cc1,-1.5321612358093262
O=C(NC1CCCCC1)c1ccc(OCCCO)cc1,-1.663446068763733
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823221445083618
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718952417373657
C[C@@H]1CN(c2ccc(COc3ccccc3)cc2)C[C@H](C)O1,-1.51251220703125
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(N)cc2)C1,-1.3352411985397339
Cc1ccc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)cc1,-1.0002580881118774
O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.3077023029327393
C=C(C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.3206788301467896
[NH3+]CCCC(=O)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5320323705673218
O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1ccccc1Cl,-0.8846590518951416
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3625956773757935
COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6435770988464355
Cn1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)s2)n1,-0.7904095649719238
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-1.0563831329345703
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.222704529762268
O=C(C[NH+]1CCC2(CCCCC2)C1)NCc1ccccc1,-1.6234334707260132
O=C(NCCc1ccc(Cl)cc1)N[C@H]1CCOC1,-1.6134709119796753
O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2o1,-1.056010365486145
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.1532633304595947
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8941293954849243
Nc1c(F)cccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1347447633743286
O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2O)CC1,-1.2518796920776367
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1,-1.2198328971862793
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2223811149597168
CC1CN(Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)N1,-1.4557406902313232
O=C1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1,-1.4499073028564453
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701718688011169
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.4401438236236572
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.212711215019226
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1,-1.4506933689117432
Cc1cccc(CC2CC[NH+](Cc3c(C)noc3C)CC2)c1,-1.0861212015151978
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1588650941848755
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5758452415466309
[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9411712288856506
Nc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1O,-1.3748568296432495
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1097103357315063
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5280932188034058
Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cn2)cc1,-0.9618163108825684
O=C(Nc1ncccc1F)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.7668901085853577
Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.9720907211303711
O=C(c1ccccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0145108699798584
Cc1cc(O)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1364028453826904
Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.9478821158409119
Cc1ccc(NCc2ccccc2-c2ccccc2)cc1O,-1.2899736166000366
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894792556762695
O=C(CCCc1cccc2c1CCCC2)NCc1ccccc1,-1.363921046257019
N=C(O)CN1CCCC(NC(=O)c2ccc(Cl)cc2)C1,-1.3179548978805542
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1867130994796753
O=C(Nc1ccccc1O)c1ccc(Cl)cc1,-1.573494553565979
Cc1ccccc1-c1ccc(C(=O)Nc2ccc(N)cc2)cc1,-1.0803487300872803
O=C(Cc1cccc(O)c1)NCc1nc2ccccc2o1,-1.442647933959961
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.034986138343811
Clc1ccc(C[NH+]2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.109074592590332
O=C(N[C@H]1CC[C@H](F)C1)c1csnc1-c1ccc(Br)cc1,-0.7401348352432251
C[C@H]1C[NH+](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCO1,-1.1394256353378296
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2643940448760986
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1378748416900635
C[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1,-1.3532676696777344
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9726285934448242
CC(C)[C@H]1C[NH+](C)CC[C@@H]1NC(=O)c1ccc(Cl)cc1Br,-0.4826332926750183
Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3795208930969238
O=C(NCc1ccccc1)N1C[C@H](O)C2(CCCCC2)C1,-1.5683528184890747
C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.6462936401367188
Cc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.8921430706977844
Cc1ccc2cc(C(=O)NC[C@H]3CC[NH+](C)C3)ccc2c1,-1.1737757921218872
Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.5320117473602295
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.2455291748046875
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3051413297653198
O=C(Cc1cnco1)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-1.3360592126846313
O=C(NC1CC(F)(F)C1)N1CCCC[C@@H]1C(F)(F)F,-0.8740185499191284
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0274367332458496
c1ccc(OCC2CCCCC2)cc1,-1.8617820739746094
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4463629722595215
CC(C)Oc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1,-1.014085292816162
O=C(NCC1CCCCC1)N1CC[C@H](O)C2(CCCC2)C1,-1.527233362197876
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1F,-1.2567044496536255
Cc1cc(Cl)nc(N2CCC([NH2+]Cc3ccccc3)CC2)n1,-0.9967796802520752
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3O)cc2)CC1,-1.1606221199035645
CC1CC[NH+](C2CCN(C(=O)Nc3ccccc3N)CC2)CC1,-0.9924584031105042
Cc1ccccc1CNC(=O)N1CCCC2(CCCCCC2)C1,-1.441499948501587
CC[C@H](C(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1,-0.8100979328155518
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1354575157165527
c1ccc(-c2nc(CNCC3CCCC3)no2)cc1,-1.5832949876785278
O=C(NCc1cccc(F)c1)N1CCC2(CCOCC2)C1,-1.5426125526428223
N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1,-1.2696170806884766
C[NH+](Cc1cccc(N)c1)[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.1474825143814087
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1657401323318481
Nc1cc(Br)ccc1C(=O)N[C@H]1CCOC[C@H]1c1ccccc1,-0.9621543288230896
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1251670122146606
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023200750350952
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4884759187698364
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495253562927246
COc1ccc(CN2CCC(OC(C)C)CC2)cc1,-1.6715288162231445
Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.0635002851486206
O=C(Cc1ccc(Cl)cc1)NCc1cc2ccccc2o1,-1.358411192893982
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1602468490600586
Cc1oc2ccccc2c1NC(=O)N[C@@H]1CCC[C@H](C)C1,-1.1389819383621216
Cc1ccc([C@@H]2CCC[C@H]2C(=O)Nc2cnn(C)c2)cc1,-1.1057642698287964
Cc1nc2cc(NC(=O)Nc3ccc(F)cc3)ccc2o1,-1.1447904109954834
O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.152924656867981
CC(C)(C)C(NCc1ccc(F)cc1)c1ccc(Br)s1,-0.8930965662002563
c1ccc(-c2nc(CNCc3cccs3)cs2)cc1,-1.5244266986846924
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8939552903175354
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485408425331116
O=C(c1ccccc1I)N1CCN(Cc2ccc(F)cc2)CC1,-0.8846853971481323
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2425233125686646
Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3O)cc2)cc1,-1.1414124965667725
O=C(Nc1cc(-c2ccccc2)ccc1Br)c1ccc(F)cc1,-0.9438263177871704
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@@H]2C)cc1,-1.4681695699691772
CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2711995840072632
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1,-1.1585570573806763
Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@H]2c2cccc(F)c2)cc1,-0.6619429588317871
NCCCC(=O)N1CCN(C(=O)COc2ccccc2)CC1,-1.576804757118225
C=CCOc1ccc(NCC(O)=Nc2ccc(I)cc2)cc1,-1.3900041580200195
O=C(NC1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl,-0.8165545463562012
O=C(Nc1ccccc1)N1CCC(c2ccc(F)cc2F)CC1,-0.978458046913147
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9808167815208435
O=C(Nc1nnc(-c2ccccc2)s1)c1csc2ccccc12,-0.7665026783943176
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.049988865852356
Cc1ccc(C(=O)N[C@@H]2CCCO[C@H](c3ccccc3)C2)cc1,-1.4466129541397095
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2901077270507812
CC(C)CC(=O)NC[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.1979871988296509
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2267948389053345
C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.112897276878357
O=C(CC1CCOCC1)Nc1ccc(N2CCOC2=O)cc1,-1.5182178020477295
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.5375404357910156
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3847813606262207
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2644122838974
Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9501667022705078
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCOC[C@H](O)C1,-1.4841772317886353
Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1594691276550293
Cc1ccc(C[NH+]2CCN(CC3CCCCC3)CC2)cc1Br,-1.0831820964813232
C[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1,-1.1330413818359375
C[C@H]1C[NH+](C[C@@H]2CCCOC2)CCN1Cc1cccc(Br)c1,-1.2098137140274048
Fc1ccc(C2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.0795658826828003
O=C(NC[C@@H]1CC12CCCC2)N1CCC2(CCOCC2)C1,-1.5572518110275269
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1640021800994873
O=CNc1ccccc1Cl,-1.8827956914901733
Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4n3C)CC2)cc1,-0.2286105901002884
NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.378434181213379
CN1CCN(Cc2ccccc2)C(Cc2ccc(F)cc2)C1,-1.3523139953613281
O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0677191019058228
C[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CCC1,-1.186863660812378
Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2s1,-0.8831092715263367
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0728282928466797
COc1ccccc1C(=O)NCc1ccc(C)s1,-1.5454740524291992
CC1CC(C)CN(c2ccc(OCc3ccccc3)cc2)C1,-1.4072684049606323
O=C(NC[C@H]1CC12CCOCC2)c1ccc2c(c1)CCO2,-1.4263609647750854
O=C1NC[C@H]2CCCN1C2,-1.909881830215454
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2cccc(O)c2)CC1,-1.0540910959243774
CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cn2)CC1,-0.8913536667823792
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0539253950119019
c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2875746488571167
O=C(NCCCO)Nc1ccc(-c2ccccc2)cc1,-1.6703715324401855
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5170958042144775
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.991671621799469
Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9926748275756836
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750082731246948
Cn1ccc(C(=O)Nc2scnc2-c2cccc(Cl)c2)n1,-0.8146651983261108
Cc1ccccc1N1CC[C@H](C(=O)N2CCC3(CCOCC3)C2)C1=O,-1.0725771188735962
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5124332904815674
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(C2CCCCC2)on1,-1.1666425466537476
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9841917157173157
CC1(C)CCN(c2ccc(OCc3ccccc3)cc2)CC1,-1.5090960264205933
Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1Cl,-0.9908263683319092
C[C@H]1CCCCN1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.0815682411193848
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3019059896469116
CCc1noc(C[NH+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1,-0.875533938407898
CC(C)(O)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.6115057468414307
CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2643593549728394
Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.8544250726699829
CC(C)c1nc(C(=O)NCc2ccccc2)cs1,-1.440877914428711
C[C@H]1CCCCN(C(=O)c2ccc(Nc3ccccc3)cc2)C1,-1.3787109851837158
Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-1.0003557205200195
[N-]=[N+]=Nc1ccc(CNC(=O)c2ccccc2Cl)cc1Cl,-0.913893461227417
C[NH+]1CCCC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1,-1.2975932359695435
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.054607629776001
Nc1cc(F)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1,-1.0988692045211792
O=C(NC1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1F,-0.8142019510269165
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1070492267608643
CN(C)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1,-1.3983286619186401
O=C(Nc1cccnc1-c1ccccc1)c1ccc(Cl)cc1F,-0.8326733708381653
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1,-0.9928997159004211
c1ccc(COc2ccc(-c3ccc4ccccc4c3)cc2)cc1,-1.3053851127624512
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135138988494873
[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1,-1.285528302192688
O=C(c1cccs1)N1CCC(Cn2cnc3ccccc32)CC1,-1.0033458471298218
CCCCC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1752139329910278
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.182312250137329
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2817906141281128
Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)n1,-1.1064038276672363
C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2118827104568481
O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.3902722597122192
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2cccc(F)c2)o1,-1.2962226867675781
Cn1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1,-1.0218809843063354
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8133950233459473
Cc1ccc(CCNC(=O)CCc2ccc(O)cc2)cc1,-1.5664012432098389
Cc1ccc(NC(=O)NCC2CCCCC2)cn1,-1.623470664024353
c1ccc(CNCC2CCCCO2)cc1,-1.8275574445724487
Cn1cc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cn1,-1.0033406019210815
Cc1cccc(CNc2ccc(N3CCN(C)CC3)cc2)c1,-1.3615915775299072
Nc1cc(F)ccc1NC(=O)c1ccccc1-c1ccccc1,-1.007781744003296
COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.4249823093414307
O=C1CN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCN1,-1.3039050102233887
Nc1ccc(CC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1,-1.5377099514007568
Cc1cc(Br)ccc1NC(=O)Nc1ccc2c(c1)OCO2,-1.1901198625564575
Cc1ccc(C2CC(NC(=O)c3ccc(C)nc3)C2)cc1,-1.1456477642059326
Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2[nH]1,-0.8563598990440369
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.464803695678711
Cc1ccc2nc(CNC(=O)Cc3ccccc3)[nH]c2c1,-1.3881257772445679
CCCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.6481974124908447
CN(C(=O)c1ccc(Cl)nc1)C1CCN(c2ccccc2)CC1,-0.8862108588218689
COc1ccc(Br)cc1NC(=O)Cc1cc(F)ccc1O,-0.9969369173049927
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0041840076446533
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(F)c1,-1.5870110988616943
Cc1cc(Br)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9541441798210144
Cc1cccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c1,-1.3277027606964111
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.3465086221694946
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-0.9834967851638794
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.2203611135482788
C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0924220085144043
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2919166088104248
O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Cl)cc1,-0.8089814782142639
O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9591273665428162
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6901469230651855
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.1468535661697388
Cn1cc(C(=O)NC2CCCC2)c(-c2ccc(Cl)cc2)n1,-0.919703483581543
CC(C)(C)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1,-0.8751761317253113
O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ncccn2)cc1,-0.7719247341156006
COc1ccccc1C[NH+]1CCC(c2nc3ccccc3s2)CC1,-0.8784983158111572
C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.35195791721344
C[C@](O)(CC(=O)NCc1ccc(F)cc1)c1ccccc1,-1.5680984258651733
[NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9441399574279785
O=C(NCc1nc2ccccc2o1)c1ccc(F)c(F)c1,-0.9754339456558228
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0125277042388916
C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.246361255645752
COc1cccc(CNC(=O)c2ccc(Cl)o2)c1,-1.5670098066329956
CCOc1ccc(C(=O)N[C@H]2CC[NH+](C)C2)cc1,-1.628140926361084
Cn1cnc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc21,-1.0427732467651367
Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0295661687850952
Fc1ccc(CC2CCCN(Cc3ccc(Cl)cc3)C2)cc1,-1.304336428642273
O=C(c1ccc(F)cc1)N1CCC(Cc2ccccc2Cl)CC1,-0.9136940836906433
Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1,-0.8843027353286743
O=C(N[C@H]1CCCN(c2cccc(Br)c2)CC1)c1ccccc1,-1.1615209579467773
O=C(Nc1ccc(Cl)cc1)N1CCC(C2CCCCCC2)CC1,-1.0325655937194824
Cc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1,-1.272326946258545
CC(C)C[NH+]1CCCC[C@H]1C(=O)Nc1ncnc2ccccc12,-0.840351939201355
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9666469693183899
Nc1ccc(C2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.3581534624099731
O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8838839530944824
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.2991321086883545
O=C(c1ccc(F)cc1)N1CCN(CCC2CCCCC2)CC1,-1.3245244026184082
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.3916386365890503
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9235222935676575
CC(C)c1nc(C(=O)Nc2c3ccccc3nn2C)cs1,-0.7168136835098267
O=C(CCCc1ccc(Br)cc1)NCc1ccc(Br)nc1,-1.1450440883636475
c1ccc(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.4992755651474
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.37732994556427
NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1063566207885742
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3282986879348755
Cc1ccc(C[C@H](O)CNC(=O)N2CCC[C@@H](C)C2)cc1,-1.489341378211975
CC1(C)CN(C2CCCCC2)CCO1,-1.8038345575332642
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718958377838135
C[C@@H]1C[C@H](NC(=O)c2ccccc2F)CCN1c1ccccc1,-1.0231313705444336
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.0743485689163208
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1Cl,-0.7303528189659119
Cc1ccccc1C(=O)N[C@H]1CCCN(c2cccc(Cl)c2)C1,-0.9682913422584534
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0241166353225708
CC(C)(C(=O)NCc1ccccc1)[C@H](N)c1ccccc1,-1.5242241621017456
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)nc1,-0.8736695647239685
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1,-1.3020243644714355
O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCOC2(CCCC2)C1,-1.5185474157333374
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(I)cc1,-1.2367279529571533
O=C(NCc1ccccc1)Nc1cccc(O)c1,-1.6910673379898071
O=C(NCc1ccc(O)c(Br)c1)[C@H]1CCC(F)(F)C1,-1.1190136671066284
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1,-1.3048958778381348
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0373508930206299
Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.1157199144363403
O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(Br)cc1,-0.9416175484657288
Cc1ccc(CCNC(=O)N2CCC3(CCCC3)C2)cc1,-1.5484994649887085
Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2474679946899414
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1,-0.7102934122085571
O=C(NCC1CCCCC1)N[C@H]1CCC[C@H](O)C1,-1.6537293195724487
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.8918689489364624
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.9922366738319397
CCC(C)C(=O)N1CCC(NC(=O)c2ccc([O-])cc2)CC1,-1.2142398357391357
CCCc1ccc(CNC(=O)c2csc3ccccc23)cc1,-1.2649809122085571
O=C(NCc1ccc(I)cc1)c1cc2ccc(Br)cc2s1,-0.7220062613487244
Cc1ccc(CCNC(=O)c2ccc3c(c2)CCO3)cc1,-1.5138280391693115
CC(C)(O)CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.5191153287887573
CCOc1ccc(C[NH+]2CCC(C(C)C)CC2)cc1,-1.5742039680480957
Cc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0947717428207397
CC1(C)CC(NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1,-1.2940888404846191
Cc1ccc(C(=O)N2CCN(CCN3CCOCC3)CC2)cc1,-1.5052112340927124
O=C(NC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1,-1.143157958984375
Nc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-0.9690929651260376
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0413362979888916
Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Br,-1.1921247243881226
CC(=O)Nc1ccc(Nc2nc3ccc(C)cc3o2)cc1,-1.2139995098114014
O=C(NCc1ccc2[nH]cnc2c1)[C@@H]1CCc2ccccc2C1,-0.9348074793815613
O=C(Nc1ccc(C2CCCC2)cc1)c1ccc2c[nH]nc2c1,-1.1120116710662842
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8980622887611389
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764878153800964
O=C(CNc1ccc(N2CCCCC2)cc1)NCCO,-1.610015869140625
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)cc1,-1.1557480096817017
Cc1cnc(CC(=O)NCc2ccc3oc(C)cc3c2)o1,-1.3061153888702393
Nc1ccc(CC(=O)NCc2c[nH]c3ccccc23)cc1,-1.3093719482421875
CCc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4524974822998047
O=C(CNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1,-1.3508449792861938
Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-0.9453043937683105
Oc1cnc(-c2ccccc2)nc1SCc1ccc(F)cc1,-0.9796657562255859
Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cn1,-1.3901638984680176
COc1ccc(CNCC(C)c2ccccc2)cc1,-1.6749342679977417
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2789435386657715
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437049627304077
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0200371742248535
Cc1cc(CC(=O)NCc2ccc(Cl)c(Br)c2)no1,-1.0469424724578857
CN(C)c1ccc(CNC(=O)c2ccco2)cc1,-1.6216133832931519
O=C(Cn1c(S)nc2ccccc21)NCc1ccccc1,-1.2096627950668335
Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3484247922897339
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)CC1)c1ccccc1,-1.3109184503555298
CC1CCCC(NC(=O)NCc2ccccc2)C1,-1.6640205383300781
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.263729453086853
CC(C)(CO)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5765899419784546
Cc1ccc(C(=O)Nc2ccccc2F)c(N2CCOCC2)c1,-1.0645440816879272
O=C([C@@H](O)c1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.4801713228225708
CC(C)(C)CC(=O)Nc1ccc(-n2c(O)nc3ccccc32)cc1,-0.9231660962104797
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2102477550506592
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)o1,-1.262038230895996
CCC(C(=O)N1CCCC1)N1CCN(Cc2ccccc2)CC1,-1.373997688293457
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9019269347190857
CC1CCN(C(=O)CNc2ccc(-c3ccccc3)cc2)CC1,-1.3451733589172363
Cc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0931147336959839
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272165060043335
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0397287607192993
Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(Cl)cc1,-1.0651805400848389
O=C(c1ccncc1)N1CCCC[C@H]1C(O)c1ccc(F)cc1,-1.0393798351287842
Cn1cc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)cn1,-1.0194445848464966
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2O)cc1,-0.9185570478439331
O=C(c1ccc(F)c(F)c1)N1CCC(c2ccc(F)c(F)c2)CC1,-0.4845597743988037
O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4703115224838257
CCOc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1,-1.4949504137039185
Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2923091650009155
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019471168518066
CC(C)NC(=O)N1CC[C@@]2(CCN(c3ccccc3)C2)C1,-1.5525983572006226
O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(O)cn1,-1.018263816833496
O=C(c1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.959982693195343
Cc1ccc(C(=O)N2CCCC2N=C(O)Nc2ccc(F)cc2)cc1,-0.9405253529548645
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908032894134521
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0811855792999268
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1736773252487183
Cc1ccc(NC(=O)C(O)=NC2CCN(c3ccccc3)CC2)cc1,-1.2921696901321411
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0696090459823608
Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.140014886856079
Cc1cc(C)cc(CNC(=O)c2ccc3nncn3c2)c1,-1.0290971994400024
COc1ccc(CNc2ccc(Br)cc2OC)cc1,-1.4425806999206543
O=C(CCc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCCCC1,-1.1687229871749878
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1F,-0.945436954498291
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(O)cc1,-1.3095699548721313
C[NH+]1CCN(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C1,-1.354557752609253
O=C(c1ccc(Nc2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.4500302076339722
[NH3+]C1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1683094501495361
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0366488695144653
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.223357915878296
c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.036861777305603
O=C1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1,-1.5372495651245117
Cc1ccc(CN2CC[NH+](C[C@]3(O)CCC[C@@H]3C)CC2)cc1,-1.4984614849090576
O=C(NC1CC(c2ccccc2)C1)N1CC[NH+]2CCCC[C@@H]2C1,-1.1113696098327637
CC(C)(C)C(=O)Nc1ccc(OCC(N)=O)cc1,-1.6161826848983765
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0147478580474854
CC1CCN(C(=O)CCCCNC(=O)c2ccccc2)CC1,-1.5450997352600098
Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCC(C)CC3)C2)o1,-1.323110580444336
O=CN1CCN(c2ccc(F)cc2)CC1,-1.7405413389205933
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.13005530834198
O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.2558073997497559
C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(F)cc1,-1.144491195678711
O=C(Cn1cnc2ccccc21)NCc1ccc(F)cc1,-1.2601509094238281
Oc1ccc(CN2CCCC(CC3CCCCC3)C2)cc1F,-1.3496415615081787
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.205987811088562
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2371269464492798
Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)no2)cc1,-1.303674578666687
O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(-c2ccccc2)n1,-1.1778517961502075
Cc1ccccc1OC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.144534945487976
Cn1ccc(OCC(=O)NCc2ccccc2)n1,-1.6866350173950195
Fc1ccc(F)c(C[NH+]2CCC(OC3CCCCC3)CC2)c1,-1.2211867570877075
O=C(c1cccc(Cl)c1)N1CCNCC1,-1.6331098079681396
C[NH+]1CCCN(C(=O)c2ccc(SC3CCCCC3)cc2)CC1,-1.188938856124878
CC1(Nc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1,-1.4767067432403564
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4276642799377441
Cc1ccc(C2CCN(C(=O)Nc3ccccc3I)CC2)cc1,-0.9205875992774963
O=C(CC1CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3827029466629028
Cc1cccc(N2CC[C@H](NC(=O)c3c[nH+]c(C)[nH]3)C2)c1,-1.2085520029067993
c1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1,-1.250064730644226
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.8404108881950378
CC[NH+]1CCCN(C(=O)c2ccc(-c3nc(C)n[nH]3)cc2)CC1,-0.8478365540504456
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3888682126998901
N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.649975061416626
CC1CCN(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)CC1,-1.0282469987869263
C[C@@H]1CN(c2ccc(COc3ccccc3)cc2)C[C@H](C)O1,-1.513095498085022
COc1ccc(C(=O)NCc2ccc(C)s2)cc1,-1.6173733472824097
Cc1nnc([C@@H]2CCC[C@H]2NC(=O)c2ccc(F)cc2)s1,-0.7583556175231934
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5063453912734985
C[NH+]1CCC[C@H](CNC(=O)C(=O)c2ccc(Br)cc2)C1,-1.1722981929779053
O=C(O)Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1,-1.5357170104980469
CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8352622389793396
Cc1ccccc1N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.0269880294799805
Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)c(C)c1,-0.8554893732070923
CC(C)Cc1ccccc1C(=O)N1CC[C@@H](c2ccccc2)C1,-1.1498247385025024
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1552410125732422
Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2140082120895386
O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC1CCCCC1,-0.9898221492767334
O=C(NC[C@@H]1CC12CCC2)C1CC[NH2+]CC2(CCCC2)C1,-1.4994441270828247
CN1CCN(c2ccccc2NC(=O)c2ccccc2)C1=O,-1.189981460571289
O=C1CCCC(C(=O)Nc2cccc(N3CCOCC3)c2)C1,-1.3958559036254883
C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.2854112386703491
Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9300625324249268
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(I)cc2)C1,-1.1581366062164307
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2420912981033325
O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2CCOCC2)c1,-0.9032568335533142
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3059258460998535
Oc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1F,-1.4478636980056763
C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)CCC3)CC1,-1.2453984022140503
Cc1ccc(Cl)cc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0628949403762817
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2067979574203491
Fc1ccc(-c2c(-c3nc(-c4ccccc4)no3)[nH+]c3ccccn23)cc1,-0.693065881729126
C[C@H]1COCC[NH+]1CCNC(=O)NC1CCCC1,-1.6603881120681763
O=C(c1c(F)cccc1Cl)N1CCCC(Oc2ccccc2)C1,-0.9741142392158508
Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9948147535324097
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)C1CCCCCC1,-1.1042321920394897
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399774312973022
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125235795974731
CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-1.2292925119400024
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458205223083496
Fc1ccc(NC[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1,-1.0358473062515259
CC(c1ccc(O)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.1790812015533447
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0874824523925781
N=C(O)CN1CCC(NC(=O)c2ccc(N)cc2)CC1,-1.444503903388977
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-1.0075170993804932
CC1(C)CCC(NCc2ccc(C(F)(F)F)cc2)CC1,-1.1307446956634521
Nc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.170210838317871
O=C(Cc1ccccc1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1,-1.4311031103134155
CCC(=O)C1CCCN(C(=O)Nc2nc3ccccc3s2)C1,-0.8819154500961304
C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.3265800476074219
Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9440470933914185
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1479129791259766
CC(C)(C)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1,-0.9254698753356934
Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0353766679763794
CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)s1,-1.2063260078430176
CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0571609735488892
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2350480556488037
Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2C)c1O,-0.857842743396759
CCOC(=O)N1CC[NH+](Cc2ccc(C)s2)CC1,-1.58000648021698
Cn1nc(-c2ccc(F)cc2)cc1NCc1ccc(Cl)cc1,-0.8211928009986877
Cc1ccc(CC(=O)N2CC[NH+](C)[C@H](c3ccc(F)cc3)C2)cc1,-1.0052571296691895
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.10164213180542
CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3349578380584717
CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccccc2)cc1,-1.4036411046981812
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0620489120483398
Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.2424956560134888
CC(O)(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.5282800197601318
CC(C)C(O)=NCc1ccc(OCc2ccccc2)cc1,-1.6098365783691406
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0323823690414429
Cc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1F,-0.5674924254417419
Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)n1,-0.8196768760681152
C[NH+]1CCCN(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1,-1.2894389629364014
NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1,-1.4251036643981934
Cc1cc(C)cc(OCC2CCN(c3ccccn3)CC2)c1,-1.302918791770935
[NH3+][C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2cccc(Cl)c2)C1,-0.8608924746513367
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1,-0.8986005187034607
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2387442588806152
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238760948181152
CN1C(=O)CC[C@@H]1NC(=O)c1cccc(-c2ccccc2)c1,-1.2172261476516724
O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.8718975186347961
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5417948961257935
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2357439994812012
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2783504724502563
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9656992554664612
Nc1ccc(NCc2ccccc2)c(-c2ccc(F)cc2)c1,-1.187214732170105
Cc1ccc(Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1,-1.0290229320526123
Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4991987943649292
COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.4820923805236816
CCc1ccc(S(=O)(=O)NCc2ccc([O-])cc2)cc1,-1.5405843257904053
Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.6542874574661255
CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4255943298339844
O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1,-1.0797961950302124
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.100206971168518
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531681060791016
Cc1cc(C(=O)Nc2ccccc2F)nn1-c1ccc(F)cc1,-0.764422595500946
C[C@@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C1,-1.3764508962631226
C[NH+]1CCC(F)(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.452042579650879
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589139223098755
O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.334197759628296
Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.1947561502456665
O=S1(=O)CCC(NCc2ccc(N3CCCC3)cc2)C1,-1.604475736618042
Cc1cc(NC(=O)C2CCCC2)n(-c2ccc(Br)cc2)n1,-1.027502179145813
Cc1ccc(CCC2CCN(C(=O)c3scnc3C)CC2)cc1,-1.0280745029449463
CC(C)Cc1ccc(NC(=O)Cc2ccc(I)cc2)cc1,-1.3189749717712402
O=C(CC[NH+]1CCC(C2CCOCC2)CC1)Nc1ccccc1,-1.5188870429992676
O=C(CCc1ccc(F)cc1)NCc1ccc(F)c(Cl)c1,-1.0520254373550415
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4663512706756592
O=C(Nc1ccc(F)cc1)c1ccc(-c2ncccc2Cl)cc1,-0.879967987537384
Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1225301027297974
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1015130281448364
O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)cc1,-0.9362257122993469
c1ccc(-c2ccc(C[NH+]3CCC(c4nn[n-]n4)CC3)cc2)cc1,-1.1734519004821777
C[C@H](NC(=O)c1cc(F)c(F)cc1F)c1ccc(Br)cc1,-0.49192607402801514
CC(C)[C@H](N)C(=O)N1CCC(OCc2ccccc2)CC1,-1.4499788284301758
O=C(Cc1ccc(O)cc1)NCc1cc2ccccc2[nH]1,-1.471514105796814
Cc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.0598137378692627
O=C(N[C@H]1CC[C@@H](F)C1)c1csnc1-c1ccc(Cl)cc1,-0.8280891180038452
O=C(NCCCCc1cccc(F)c1)[C@H]1C[C@@H]1C1CCOCC1,-1.3428912162780762
O=C([O-])C1CCN(C(=O)NC2CCC(F)(F)CC2)CC1,-1.0714365243911743
O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.1131463050842285
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.252454161643982
O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-0.994942843914032
O=C(Nc1ccccc1S)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9761139154434204
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3279283046722412
CC[NH+]1CCC(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1,-0.916733980178833
C[C@@H]1OCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1417417526245117
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0508768558502197
Cc1cc(Br)ccc1CNC(=O)C[NH+]1CCCC(C)(C)C1,-1.1467256546020508
N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.2547924518585205
Fc1ccc(N2CCC(NCC3CCOCC3)CC2)cc1Cl,-0.9277311563491821
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0362886190414429
O=C(NCc1ccccc1)N[C@H]1CCC[C@H](F)C1,-1.6354868412017822
Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)n1,-1.5214227437973022
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)n[nH]1,-0.9128550887107849
NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1F,-1.0639965534210205
O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.3245307207107544
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.3036524057388306
O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.0358301401138306
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531722784042358
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466206312179565
O=C(Nc1ccc(O)cc1Cl)N1CCC(c2ccccc2)CC1,-0.9961149096488953
Cc1cccc(CN2CCN(Cc3ccc(I)cc3)CC2)c1,-1.2443039417266846
Cc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.1375287771224976
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960753679275513
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9624204635620117
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.301058292388916
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.1607993841171265
C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.4142283201217651
Cc1ccc(C(=O)N2CCC(N=C(O)Cc3ccccc3)CC2)cc1,-1.1635850667953491
CC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1,-0.9136854410171509
O=C(C[NH+]1CCC2(CC[NH2+]CC2)C1)NCc1ccccc1,-1.6173173189163208
Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.5193949937820435
O=C(NCc1ccc2c(c1)OCCO2)c1cccc(O)c1,-1.424900770187378
Cc1ccc(F)cc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.0436547994613647
CC[NH+]1CCC[C@@H](C(=O)N2CCC(c3ccc(F)cc3)CC2)C1,-0.9805644154548645
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.066725254058838
CC(C)S(=O)(=O)N1CCC(NCc2ccccc2)CC1,-1.536970853805542
CCN1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.8938716053962708
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0810489654541016
O=C(Cc1ccc2c(c1)CCCN2)NCC1CCCCC1,-1.5120106935501099
O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1,-1.420333981513977
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.2082250118255615
CC[C@H](F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2185285091400146
O=C(C[NH+]1CCc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1,-0.8143982291221619
O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2,-1.2677795886993408
Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(C)c1,-1.1400551795959473
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3008131980895996
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.3263288736343384
Nc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9023009538650513
CCc1ccc(C(=O)N[C@@H]2[C@H]([NH3+])CC23CCCCC3)cc1,-1.318760871887207
COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1,-1.1109139919281006
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.7960208058357239
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Br)cc2)no1,-1.2414894104003906
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.2818500995635986
Cc1cc(N)ccc1C(=O)N(C)Cc1ccc(Br)c(F)c1,-0.7799438834190369
COc1ccc(C2CCN(C(=O)NCCF)CC2)cc1,-1.4383399486541748
Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.4727606773376465
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1179624795913696
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.2580318450927734
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0258549451828003
CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.358500599861145
Cc1nc2c(o1)C[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)CC2,-0.8364338874816895
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0924893617630005
Cc1nc(NCC2CCCCO2)cc(-c2ccc(F)cc2)n1,-0.9612759351730347
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3O)cc2)CC1,-1.2933295965194702
C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2)CCN1c1ccccc1,-0.994888424873352
O=C(c1ccnc(-c2ccc(F)cc2)n1)N1CCC2(CCCCO2)CC1,-0.8567400574684143
CN(C(=O)NCc1cnn(C)c1)C1CCCCC1,-1.555101990699768
CC(C)(C)CNC(=O)c1ccc(-n2c(O)ccc2O)cc1,-1.2143516540527344
O=C(Nc1ccc2[nH]ncc2c1)c1ccn(-c2ccccc2)n1,-1.0608242750167847
CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.3695663213729858
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.108113169670105
O=C(Nc1ccc(-c2ccc(O)cc2)cc1)C1CCCc2ccccc21,-0.8414598107337952
O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9009222388267517
O=C(NC1CCN(c2cccc(Cl)c2)CC1)[C@H]1CC=CCC1,-1.312268614768982
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-1.0061928033828735
Cc1n[nH]c(C)c1C(=O)Nc1ccc(-c2ccccc2Cl)cc1,-0.6330859065055847
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943669080734253
Nc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1,-1.0722955465316772
Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1,-1.0781008005142212
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.052006483078003
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.029043436050415
Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.514242172241211
c1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1,-1.3108690977096558
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0001553297042847
Cc1noc([C@@H]2CCC[C@H]2NC(=O)Cc2ccccc2)n1,-1.3155672550201416
Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0299038887023926
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.513370394706726
Cc1ccc([C@](C)(O)CNC(=O)Cc2ccccc2)cc1,-1.5881534814834595
COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-1.0082859992980957
O=C(Nc1ccc2ccccc2n1)c1cc(C2CCCC2)on1,-1.0066801309585571
O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9586288332939148
CC(C)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.043109655380249
Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9187297224998474
O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2cncn2c1,-1.1059139966964722
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3001004457473755
O=C1[C@H](Nc2ccc(F)cc2)CCN1Cc1ccccc1,-1.531585693359375
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.91895991563797
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.0928682088851929
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3557904958724976
Cc1ccc(CNC2CCN(c3ccccc3)C(C)C2)cc1,-1.4104845523834229
Cc1ccc([C@H](O)CNC(=O)Cc2ccc(Br)cc2)cc1,-1.3729755878448486
C[C@H]1CCCN(c2ccccc2NC(=O)[C@H]2CCCC[NH+]2C)C1,-1.025768518447876
O=C(NCc1ccc(O)cc1)N1CCOC2(CCCC2)C1,-1.631503939628601
O=C(Nc1ccc(Cl)cc1O)N1CCC(c2ccccc2)CC1,-1.0051250457763672
Cc1cc(NCc2ccc(I)cc2)nc(-c2ccccc2)n1,-1.0151766538619995
O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2ccccc2Br)C1,-0.9776745438575745
Cc1ccc(C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1,-1.0049647092819214
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307642221450806
O=C(c1ccccc1S)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0442739725112915
Cc1ccc(CNC(=O)NC2CCCCC2)cc1,-1.6624616384506226
O=C(CC(O)=Nc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.2002081871032715
CS(=O)(=O)c1cccc(NC(=O)CCc2ccc([O-])cc2)c1,-1.4964745044708252
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9118634462356567
C[C@H]1CC(=O)N(c2ccccc2)C1,-1.7939506769180298
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5420434474945068
Cc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1,-1.25222909450531
Cc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)n1,-1.1091389656066895
O=C(Nc1nc2ccccc2s1)c1ccn(-c2ccccc2)n1,-1.0162243843078613
O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1490578651428223
Nc1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0363826751708984
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0073214769363403
O=C(N[C@@H]1CCC[C@H]1c1nc2ccccc2[nH]1)[C@@H]1CCCCO1,-1.0032646656036377
Fc1ccc(C[NH+]2CCN(CC3CCCCC3)CC2)cc1F,-1.0733823776245117
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4594790935516357
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9798234701156616
CS(=O)(=O)c1ccc(N2CCN(Cc3ccc(F)cc3)CC2)s1,-1.0612202882766724
O=C(NCc1ccc(F)cn1)Nc1ccccc1,-1.621543526649475
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.18934965133667
Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3O)CC2)cc1,-1.0930675268173218
C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.1399098634719849
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)o1,-1.3443244695663452
NC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1ccccc1,-1.5085070133209229
O=C1CCC2(CCN1)CC[NH+](CC(=O)Nc1ccc(Cl)cc1)C2,-1.256880521774292
O=C(NCc1cccc(F)c1)c1cc2ccc(F)cc2[nH]1,-1.0349607467651367
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.3430231809616089
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198259353637695
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5054081678390503
Oc1ccc(-c2noc(COc3ccc(F)cc3F)n2)cc1,-1.0098105669021606
CC(C)(C)c1ccc(NC(=O)C(O)=Nc2ccc(Cl)nc2)cc1,-0.8674903512001038
COc1ccc(C(=O)NCC(O)=NC2CCCC(C)C2)cc1,-1.3625813722610474
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)nc1,-0.9371404647827148
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437141418457031
Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.1695996522903442
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1221034526824951
O=C(c1ccc(F)cc1Cl)N1CCOC[C@H]1c1ccc(F)c(F)c1,-0.4423769414424896
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.363787293434143
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1,-1.2286376953125
Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.1305913925170898
C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1,-1.3256269693374634
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.038007378578186
Cc1nc(C)nc(-c2ccc(NCC3CCCCC3)cc2)n1,-0.8528988361358643
O=C(Nc1ccc(Cl)cc1F)N1CCC([NH+]2CCOCC2)CC1,-0.8307663798332214
CC(C)[C@H](C(=O)NCC1CCCCC1)c1cccc(Br)c1,-1.2259529829025269
O=C(NCCCc1ccc(Br)cc1)c1cccs1,-1.5243124961853027
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9639937281608582
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8871201872825623
Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)s1,-0.7397310733795166
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.1486150026321411
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6982438564300537
O=C(NCc1cc2ccc(Br)cc2[nH]1)c1cccc(F)c1,-0.9301262497901917
O=C(Nc1ccccc1)C1CCN(c2cc(Cl)ccc2Cl)CC1,-0.9179551005363464
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0209158658981323
Cn1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1,-0.8638509511947632
O=C1CN(Cc2ccc(F)cc2)CN1Cc1ccccc1,-1.5202397108078003
C[C@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.1557191610336304
CN(Cc1ccccc1)C(=O)CCC(=O)c1ccc(Br)cc1,-1.3692207336425781
O=C(COc1ccc(Cl)cc1)Nc1ccc2cc[nH]c2c1,-1.4887421131134033
Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2N)cc1,-0.7963983416557312
C[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H](C3CCCCCC3)C2)C1,-1.2509229183197021
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203903913497925
O=C(NCC[NH+]1CCCCC1)N1CCC[C@H](C2CCOCC2)C1,-1.4821276664733887
CC1(C)CN(C(=O)NCc2cccc3cn[nH]c23)CCO1,-1.2964777946472168
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9791499376296997
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(Br)c1,-1.0047389268875122
CC1(F)CN(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1,-1.3884098529815674
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0641123056411743
O=C(Cn1ncc2ccccc21)NCc1ccc(F)cc1,-1.2532399892807007
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2783517837524414
Cc1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,-1.3594132661819458
O=C(c1ccc(C=NO)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7519184947013855
O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.5382441282272339
C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cnn(C)c1,-1.5350534915924072
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0520892143249512
Cc1nc(C2CCN(C(=O)NCCC(C)(C)O)CC2)n[nH]1,-1.0831338167190552
CCOc1ccc(C[NH+]2CCOC3(CC[NH+](C)CC3)C2)cc1,-1.5565167665481567
CCc1nc(C(=O)N2CCC(c3ccc(C)cc3F)CC2)cs1,-0.5494457483291626
CC(Cc1ccc(Br)cc1)N=C(O)C(=O)Nc1ccc(Cl)cc1,-0.9739563465118408
Cc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc(C)c1Br,-0.4184194505214691
O=C(NCc1ccccc1)[C@@H](c1ccccc1)C(F)(F)F,-1.5248792171478271
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3846737146377563
O=C(Nc1ncccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.8436228036880493
O=S1(=O)CC[NH+](Cc2ccc(CN3CCCC3)cc2)C1,-1.5942611694335938
O=C(NC1CC(F)(F)C1)c1ccc(-c2ccccc2)cc1,-1.273240089416504
Clc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cn3)CCO2)cc1,-1.1021418571472168
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9148827195167542
O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9642227292060852
CC(C)(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.1022037267684937
C[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1210334300994873
N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc3c(c2)OCO3)cc1,-0.961685061454773
Fc1ccc(C[NH+]2CC[C@@H](Oc3ccc(Br)cc3)C2)c(Cl)c1,-0.9141882061958313
O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Br)cc1F,-0.8288346529006958
O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@H](c2cccc(F)c2)C1,-1.0232030153274536
O=C(C[NH+]1CCOCC1)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.3392179012298584
O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,-0.8732537627220154
Cc1cc(C(=O)NCCc2ccc(Br)cc2Cl)ccc1O,-0.8291143178939819
C[C@@H](Cc1ccc(Cl)cc1)Nc1ccc(-c2ccco2)cc1,-1.3221415281295776
O=C(c1ccc(F)c(Br)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4243089258670807
Cc1cc(CNC(=O)c2c[nH]c3ccccc23)ccc1F,-1.0140103101730347
CC1(C)CC(NC(=O)N2CCO[C@H](c3ccccc3)C2)C1,-1.5260456800460815
C[C@]1(c2ccc(F)cc2)CC[C@H](NC(=O)c2ccco2)C1,-1.355143666267395
C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8992702960968018
O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.9125380516052246
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-0.942050039768219
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.892716109752655
Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0298258066177368
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.367621898651123
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.2771037817001343
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734179019927979
COc1ccc(C)cc1C(=O)N1CCC(N2CCOCC2)CC1,-1.1154892444610596
COc1ccc(OCC(O)CNC2CCCC2)cc1,-1.6657048463821411
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0179963111877441
O=C(Cc1noc(-c2ccc(F)cc2)n1)NC1CCCC1,-1.2183231115341187
O=C(NCc1ccc(O)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-1.0361485481262207
C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCCO1,-1.2667559385299683
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700085163116455
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.1034581661224365
O=C(NCc1ccc2c(c1)CCN2)c1ccc(Cl)cc1Cl,-0.7486644387245178
O=C(Nc1cc(F)ccc1Br)N1CCN(c2ccccc2)CC1,-0.9794778823852539
O=C(N[C@H]1CC12CCOCC2)c1ccccc1,-1.70704185962677
O=C(Nc1ccn(-c2ccccc2)n1)N1CC[NH+]2CCC[C@H]2C1,-1.0883514881134033
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1,-1.4289358854293823
O=C(NCc1ccc(I)cn1)NC1CCOCC1,-1.4820584058761597
Fc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1,-0.7825829386711121
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3768680095672607
Cn1ccnc1CNC(=O)Nc1ccc(Br)cc1,-1.3817965984344482
C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCC3)C1,-1.3183170557022095
C[C@H](C(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1,-1.362484097480774
O=C(CNC(=O)c1ccc(O)cc1)c1cccc(F)c1,-1.4292058944702148
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.6879613995552063
CC1(C)CN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CCO1,-1.5488158464431763
Cc1cc(C(=O)NCC(=O)N2CCCCC2)ccc1F,-1.2300714254379272
Cn1cc2c([nH+]1)CN(C(=O)NCc1cccc(O)c1)CC2,-1.2150434255599976
O=C(CNC(=O)C1CCOCC1)NC1CCCCC1,-1.6459262371063232
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0270085334777832
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1,-1.2109955549240112
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cn1,-1.27100670337677
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9235605597496033
Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.0767990350723267
O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.153748631477356
O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8405574560165405
Oc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.282048225402832
C[NH+]1CCN(c2ccc(NC(=O)N3CCCCCC3)cc2)CC1,-1.3555740118026733
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.0331363677978516
O=C(C[NH+]1CCC2(CCCC2)C1)NCc1ccc(Cl)cc1,-1.5131103992462158
Cc1ccc2[nH]c(CNC(=O)c3ccc(F)cc3)nc2c1,-0.9327436089515686
C[NH+]1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1,-1.2770787477493286
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl,-0.9004677534103394
O=C(N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc2c(c1)CCC2,-1.2278738021850586
CC(=O)N1CCC(NC(=O)Cc2ccc(I)cc2)CC1,-1.2175147533416748
NC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1,-1.11362624168396
CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)C2)C1,-1.2322849035263062
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019530773162842
OC(CNCc1ccc2ccccc2c1)c1cccc(Cl)c1,-1.135722041130066
CC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1,-1.6631523370742798
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0477124452590942
O=C(CCc1ccccc1)N[C@H]1CCN(c2ccccc2)C1,-1.5509787797927856
CN(Cc1ccccc1)C(=O)N1CCCC2(CCC[NH2+]CC2)C1,-1.4977684020996094
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1O,-0.6486482620239258
CC(N=C(O)CCc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1,-0.9956825971603394
Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0517489910125732
O=C(c1c(F)cccc1Cl)N1CCC(Nc2ccccn2)CC1,-0.8750119805335999
O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.838631272315979
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)n1,-0.9044603705406189
Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1808537244796753
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9423859119415283
Cc1c(F)cccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9688869714736938
CC[NH+]1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-1.075165033340454
O=C1CC(NCc2ccc(F)cc2)CN1C1CCCCC1,-1.242335319519043
Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1377067565917969
O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Br)cc1,-1.0944457054138184
C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1859400272369385
O=C(Nc1ccc(F)cn1)N1CCC(CC(F)(F)F)CC1,-0.9275519847869873
O=C(Cc1ccc(F)cc1)NCC(=O)N1CCCCC1,-1.5520991086959839
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn2ccccc2[nH+]1,-0.9863316416740417
CCOc1ccccc1NC(=O)c1cc(C)cs1,-1.5797059535980225
C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.8834295272827148
Cc1noc(C)c1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1,-0.886877179145813
O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2)cc1,-0.9414070248603821
O=C(N[C@@H]1CCCC[NH+]1C1CCCCC1)c1ccc(F)cc1F,-0.8655329942703247
Cc1ccc(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)cn1,-0.9577039480209351
COc1ccc(-c2noc(-c3cc(-c4ccccc4)no3)n2)cc1,-1.0523483753204346
Cc1ccc(Cl)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-0.9608743786811829
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Br)c1,-0.9400249123573303
C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.18218994140625
C[C@H]1CCCC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1,-1.4289594888687134
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C)c1,-1.111615777015686
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.9055922627449036
CCOc1ccc(CN2CCN(C(C)C)CC2)cc1,-1.5790871381759644
O=C(C(O)=Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.2778306007385254
Nc1cc(F)ccc1C(=O)N1CCC[C@H](Oc2ccccc2)C1,-1.0969111919403076
C[C@@H]1CCC[NH+](CC(=O)NCCc2ccc(Br)cc2)[C@H]1C,-1.1136127710342407
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.3307318687438965
Cc1ccc(NC(=O)[C@H]2CCC[NH+](C3CCOCC3)C2)c(C)c1,-1.2428028583526611
Cc1cccc(C2CC(NC(=O)c3cnn(C)c3C)C2)c1,-0.9629602432250977
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cn1,-1.4793448448181152
O=C(c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CCCOC2)CC1,-1.023465871810913
Cc1ccc(F)c(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1,-1.1836159229278564
Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)c1,-0.9766761660575867
COc1ccc(C[C@@H]([NH3+])C(=O)Nc2cccc(Br)c2)cc1,-1.3372899293899536
C[NH+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3F)CC2)C1,-1.040893793106079
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-1.0099700689315796
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.024105429649353
Cc1nc(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cs1,-0.5405657887458801
Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.0467884540557861
Nc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.4118248224258423
O=C(NCc1ccc(O)cc1)Nc1ccccc1,-1.6897002458572388
Cc1ccc(C(=O)NCc2ccc3oc(O)nc3c2)cc1,-1.2093654870986938
O=C1NCCCN1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9749550223350525
CN(Cc1ccccc1)Cc1ccc(S(N)(=O)=O)cc1,-1.6197589635849
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9541940093040466
COc1ccc(C[NH+]2CC3(CCC3)[C@H]2c2ccccc2)cc1,-1.5427918434143066
c1ccc(NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1,-1.1364251375198364
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254876136779785
CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.8299189209938049
C[NH+]1CC[C@H](NC(=O)NCCc2ccccc2)C1,-1.7267496585845947
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9342612028121948
O=C(Cc1ccccn1)N1CC[NH+](Cc2cccc(Br)c2)CC1,-1.1634857654571533
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.135689377784729
C[C@@H]1CCCC[NH+]1C1CCN(C(=O)Nc2ccc(Cl)nc2)CC1,-0.7526562213897705
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.989959180355072
COc1ccc(CCC(=O)Nc2cc(Cl)ccc2F)cc1,-1.3318939208984375
C[C@@]1(c2cccs2)CCN(C(=O)Nc2ccc(Br)cc2)C1,-1.284438133239746
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1O,-0.9816555380821228
Nc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6472725868225098
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.108157992362976
Cc1ccc(NC(=O)c2cccc(N3CCNC3=O)c2)cn1,-1.0906016826629639
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.256963849067688
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526820659637451
CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.6016045808792114
Cc1ccc(CN2CCN(C(=O)c3ccccc3I)CC2)cc1,-0.9623864889144897
CC(C)(C)CC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1,-0.6372444033622742
Cn1ccc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)n1,-0.8730366826057434
C[C@@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.3061660528182983
O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCOC1,-0.9154025316238403
Nc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)nn1,-0.9394382238388062
O=C(Cc1ccccc1)N1CCCN(C(=O)c2ccccc2)CC1,-1.4448647499084473
OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.5535573959350586
CCOc1ccc(C(=O)Nc2nnc(C)o2)cc1,-1.6056569814682007
CN(C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)c1ccccc1,-1.1708670854568481
Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.0464462041854858
O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9866151213645935
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.522192120552063
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1258695125579834
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-1.0137368440628052
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565506219863892
[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,-1.0333638191223145
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2439559698104858
Cc1ccc(NC(=O)N2CCC(C(C)(C)C)CC2)c(Cl)c1,-0.8517120480537415
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.953940749168396
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210062026977539
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9755970239639282
COc1cnn(C)c1C[NH+]1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.9712278842926025
Cc1nc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Br,-1.0161030292510986
Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)C)CC2)nn1,-1.0871564149856567
[NH3+][C@H](CC(=O)NCc1ccc([O-])cc1)Cc1ccccc1,-1.5787562131881714
Cc1ccc(F)c(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1,-0.48704248666763306
O=C(CC1CCCCC1)Nc1ccc(N2CCOC2=O)cc1,-1.5042006969451904
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1,-1.4170787334442139
O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.5124092102050781
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.319846272468567
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6179054975509644
Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Br,-1.1502933502197266
Cc1ccc(C)c(C(=O)Nc2ccccc2-c2ccccc2)c1,-1.1095165014266968
Cc1ccc(CNC(=O)CCC2CC[NH+](C)CC2)c(F)c1,-1.2584993839263916
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8320690393447876
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2643470764160156
Cc1ccc(NC(=O)c2ccc(N3CCCC[C@H]3C)cc2)cc1,-1.1284260749816895
C[NH+]1CCC(C(=O)NC2CCN(c3ccccc3Cl)CC2)CC1,-0.9218168258666992
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400262832641602
CO[C@H]1C[C@H](C)N(C(=O)COc2ccc(F)cc2)C[C@H]1C,-1.2462589740753174
c1ccc(C2CCN(Cc3ncnn3C3CCOCC3)CC2)cc1,-1.1356335878372192
CC1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1,-1.269055724143982
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210177659988403
CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1,-0.9068718552589417
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202126741409302
O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3571797609329224
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3977465629577637
CCCN1CCN(C(=O)c2cnc(-c3ccc(F)cc3)s2)CC1,-0.8997109532356262
Cc1ccc(COc2ccc(-c3ccccc3)cc2C)cc1,-1.37844979763031
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0439732074737549
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3938772678375244
Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-0.974204957485199
CC1(C)CC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.5066089630126953
Cc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1C,-1.0859296321868896
O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1,-1.4900249242782593
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8964613676071167
C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.4384098052978516
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C2CCCCC2)C1,-0.6908596754074097
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1378289461135864
Nc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.3385286331176758
COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.5282610654830933
Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1,-1.142871379852295
c1ccc(-c2nnc(C[NH+]3CCC(c4ccccc4)CC3)o2)cc1,-1.3932857513427734
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9418240189552307
Cc1ccc(N)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.1285490989685059
C[NH+]1CCCC[C@@]12CC[C@@H](CNC(=O)c1ccccc1)C2,-1.5771377086639404
C[C@H](Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1,-1.0268182754516602
Nc1cc(I)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0443212985992432
C[NH+]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1,-0.7734405398368835
CC1CN(COc2cccc(Br)c2)CCN1c1ccccc1,-1.232833743095398
CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.2017147541046143
CC(O)=Nc1cccc(C(=O)N2CCC(c3cccc(C)c3)CC2)c1,-0.9315239787101746
Cc1noc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C3)cc2)n1,-1.0977070331573486
COc1ccccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1,-1.587539792060852
Cc1cc(NCc2ccc(Cl)cc2)ccc1N1CCCCC1,-1.129561185836792
C[NH+]1CCC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1,-1.5028918981552124
O=C(Nc1ccc(Cl)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-0.9782862067222595
O=C(NCc1ccc(Br)cc1)C(=O)N1CCC[C@H](F)C1,-1.1081987619400024
O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cccc(-c2nn[n-]n2)c1,-0.8962911367416382
CC1CN(c2cccc(NCc3ccccc3)c2)CC(C)O1,-1.5030114650726318
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)nc1,-1.2018650770187378
O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)s1,-0.8753746747970581
CCOc1ccc(NCc2ccc(Br)cc2F)cc1,-1.4418903589248657
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700106620788574
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084672451019287
c1ccc(Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1,-1.2694568634033203
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604588031768799
Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)o1,-1.1985658407211304
O=C(c1ccc(O)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.0905319452285767
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)n[nH]1,-1.0072145462036133
O=C1CN(c2ccc(OCc3ccccc3Cl)cc2)CCCN1,-1.1437121629714966
c1ccc(-c2nc(C[NH+]3CCN(C4CCCCC4)CC3)cs2)cc1,-1.0960947275161743
O=C([C@H]1CCC[NH+](Cc2ccc(F)cc2F)C1)N1CCCCC1,-0.9820315837860107
O=C(C(O)=Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.2742466926574707
CC1(C)CCN(C(=O)NC[C@H]2CC3CCCCC3O2)CC1,-1.3649479150772095
Cc1ccc(CNC(=O)c2ccc3[nH]c(O)nc3c2)cc1,-1.2185256481170654
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.484493613243103
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)nc1,-0.9402701258659363
C[NH+]1CCCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccccc1,-1.234890103340149
COCCc1ccccc1NCc1ccc(Cl)cc1,-1.5630154609680176
COc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1,-1.0663323402404785
Cn1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1,-1.065553903579712
c1cc(N2CCCC2)ccc1C[NH+]1CCC([NH+]2CCOCC2)CC1,-1.3581693172454834
Nc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1F,-1.3943734169006348
Clc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl,-0.9468017816543579
C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCc2ccccc2C1,-0.8875038623809814
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3606810569763184
CCOc1ccc(NC(=O)c2ccc(C)o2)cc1,-1.6947799921035767
COc1ccccc1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1,-1.1992006301879883
O=C(N[C@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1O,-0.9989678859710693
CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1,-1.4841225147247314
O=C(O)C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,-0.9906116127967834
CC(=O)N1CCC(NC(=O)c2ccc(N)c(F)c2)CC1,-0.99726802110672
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.537066102027893
O=C(N[C@H]1C[C@H]2CCC[NH+]2C1)c1ccc(N2CCOCC2)cc1,-1.20811927318573
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1,-1.393445611000061
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1,-1.1192378997802734
O=C(c1ccc(O)cc1)N1CCC(Cc2ccccc2Cl)CC1,-1.0377891063690186
O=C(Cc1cccc2occc12)NCc1ccc(Br)cc1,-1.231994867324829
Brc1ccccc1COc1ccc(-c2nc3ccccc3[nH]2)cc1,-0.852436900138855
Oc1ccc(CN[C@@H]2CCCC[C@H]2c2ccc(F)cc2)cc1,-1.3167294263839722
O=C(NCc1ccc(I)cc1)N1CCC[C@]2(CCOC2)C1,-1.4091928005218506
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)nc1,-1.2014647722244263
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1152667999267578
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.2797484397888184
O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]cnc2c1,-1.000158667564392
C[NH+](C)CC1CCN(C(=O)[C@@H]2CC3(CCCC3)CO2)CC1,-1.5614306926727295
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.4759347438812256
O=C(C[NH+]1CCOCC1)NC1CCN(c2ccccc2F)CC1,-1.3075127601623535
O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7274213433265686
O=C1C[C@@H](CNc2ccc(Br)cc2)CN1c1ccccc1,-1.3134812116622925
Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1F,-1.1840144395828247
Cc1ccc(COC(=O)c2ccc3c(c2)OCO3)c(N)c1,-1.1986721754074097
O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1cccc(Br)c1,-1.3107131719589233
Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.526796579360962
Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7067853212356567
C[NH+]1CC[C@H](NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1,-1.0755712985992432
CCC(=O)c1ccc(C(=O)Nc2nnc3n2CCCC3)cc1,-0.9596312046051025
Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)c(C)c1,-1.121313452720642
Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.438737392425537
COc1ccc(CNC(=O)c2cc(C)no2)cc1,-1.6056959629058838
O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(Cl)cc1,-0.9702924489974976
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1Br,-0.7550371885299683
O=C(N1CCC(CO)CC1)N1CCN(c2ccc(Br)cc2)CC1,-0.9503358602523804
Cc1nc(C(=O)N2CC[C@@H](Cc3ccc(Cl)cc3)C2)cs1,-0.8805848360061646
CC1(C)CC[C@H](C(=O)Nc2csc(-c3ccccc3)n2)C1,-1.2180849313735962
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1,-1.1820038557052612
Cc1ccc(-c2nc(C(C)Oc3ccc(O)cc3)no2)cc1,-1.2072497606277466
Cc1ccc(CC(=O)NCC(=O)C2CCCCC2)cc1,-1.5699414014816284
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.203056812286377
O=C([O-])c1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1,-1.146365761756897
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1606459617614746
Cn1cc(NC(=O)[C@H]2CCCO2)c(-c2ccc(F)cc2)n1,-1.2096927165985107
CS(=O)(=O)n1ccc(C(=O)N2CCCN(c3ccccc3)CC2)c1,-1.3948538303375244
Nc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)c(Cl)c1,-0.896980881690979
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2976887226104736
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8872628211975098
CC(C)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1,-1.5248302221298218
C[C@@H]1CN(C(=O)c2ccc(CO)cc2)CC[C@H]1c1ccccc1,-1.0845836400985718
C[C@H]1CCCCN(C(=O)CCNC(=O)Cc2ccccc2)C1,-1.5305935144424438
O=C(c1ccc(Cl)cc1)N1CCN(C(O)=NCc2ccccc2)CC1,-1.0367463827133179
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2781457901000977
O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[NH+]2CCC[C@@H]2C1,-1.0472761392593384
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0935299396514893
Cc1cc(F)ccc1C(=O)Nc1ccc(C2CCOCC2)cc1,-1.0980695486068726
Cn1cc(C(=O)NCc2ccc(Br)cn2)c2ccccc21,-0.8452159762382507
Cc1ccc(C(=O)NC[C@H]2CCc3ccccc3C2)cn1,-1.1672825813293457
CC(C(=O)NCc1ccc(Cl)cc1)C(=O)c1cccs1,-1.367244005203247
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)n[nH]1,-1.0986908674240112
Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.1796627044677734
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.5017633438110352
COC1CCC(C(=O)NCc2ncc(C)s2)CC1,-1.3224214315414429
CN1CC[NH+](Cc2ccccc2)[C@H](Cc2ccc(F)cc2)C1,-1.3289366960525513
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2o1,-0.9926835894584656
Oc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.2951842546463013
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577802896499634
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2o1,-0.9748135805130005
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2O)CC[C@@H]1c1ccccc1,-1.0925683975219727
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2102707624435425
CC([NH3+])C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.2204079627990723
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1F,-0.8264131546020508
O=C(Nc1ccc(O)cc1)c1ccc(N2CCCC2=O)cc1,-1.2729169130325317
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.969028115272522
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9240679144859314
O=C(Nc1ccc(I)cc1)c1cccc(N2CCCC2=O)c1,-1.0328978300094604
O=C(N[C@@H]1CCC[C@@H]1C1CCCCC1)c1cc2ccccc2[nH]1,-1.0469090938568115
CC(C)(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4522216320037842
Nc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1,-1.1931607723236084
O=C(Cc1ccccc1F)N[C@H]1CCC[NH+](C2CCCCC2)C1,-1.1944026947021484
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1719155311584473
O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(Cl)cc1F,-0.9559071063995361
CC(C)(C)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6359683275222778
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9363443851470947
CC(C)(O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.3063982725143433
O=C(Nc1cc(F)ccc1F)c1cccc(-c2ccccc2)c1,-1.0319490432739258
Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1141685247421265
CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.4631978273391724
Nc1cc(Cl)ccc1C(=O)N1CCN(CC2CCCCC2)CC1,-0.7957742214202881
CC[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1c1ccc(Br)cc1,-1.1353468894958496
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3587766885757446
Cc1cc(CNC(=O)c2ccc3nc[nH]c3c2)ccc1Cl,-0.9681215286254883
O=C(Nc1ccc(F)cn1)N1CCC[C@@H](c2ccccc2F)C1,-0.8731834292411804
C[C@@H]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6655049324035645
CC(C)CNC(=O)C[NH+]1CCC[C@@H](c2ccc(Cl)cc2)C1,-1.3072961568832397
Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2c2cccc(F)c2)cn1,-1.167920470237732
COc1ccc(CNC(=O)c2ccc(I)s2)cc1,-1.4578300714492798
Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.1648800373077393
CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3543757200241089
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2989630699157715
Cc1ccc(COc2ccc(-c3ccccc3)cc2F)cc1,-1.45718514919281
O=C(c1ccc(F)c(F)c1)N1CCC(c2ccccc2)(C2CC2)C1,-0.758126437664032
NS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1,-0.9879682064056396
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4617176055908203
O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2F)CC1,-0.9498113989830017
C[NH+]1CCC(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1,-0.9008418321609497
Oc1ccc(C[NH+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(Cl)c1,-1.2354413270950317
O=C(NCc1ccc(Br)c(F)c1)[C@@H]1CCCC12CCCC2,-0.9794474840164185
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1583073139190674
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.8399072885513306
Nc1ccc(C(=O)NCc2nc3cc(F)ccc3s2)cc1,-0.7817285060882568
O=C(NCc1cccc2ccccc12)c1cc2ccccc2o1,-1.089529275894165
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700137615203857
O=C(NC1CCCCCC1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1625516414642334
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,-0.8408578038215637
C[NH+]1CCN(C(=O)c2ccccc2O)[C@H](Cc2ccccc2)C1,-1.1903865337371826
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.4512231349945068
O=C(NC1CC2(CCC2)C1)c1ccc(N2CCCC2)cc1,-1.470900297164917
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2190033197402954
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503564238548279
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.9736548066139221
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2194370031356812
Nc1cccc(NC(=O)N2CC[NH+](C3CCCCCC3)CC2)c1,-1.2582037448883057
O=C(N[C@H]1CC12CCC2)N1CCN(c2ccccc2)CC1,-1.424538016319275
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7981411218643188
O=C(NCc1ccc(O)cc1)c1cc2ccc(O)cc2s1,-1.1414917707443237
Cc1cc(NC(=O)c2ccccc2)c(O)cc1-c1ccccc1,-1.1149309873580933
Cc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1,-1.3889074325561523
O=C(N[C@H]1CCCC[C@H]1O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9647020697593689
Cc1cc(N)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-1.0599130392074585
CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1,-1.5130152702331543
C[C@H]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5514702796936035
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.0707917213439941
Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.448478102684021
Cc1nc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2o1,-1.101974606513977
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9886875152587891
C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCc4ccccc43)cc2)CC1,-0.9039608240127563
Cc1cc(NCc2cc(-c3ccccc3)no2)c(Cl)cc1F,-0.8544303774833679
CCc1cc(CNC(=O)c2ccc(C)cc2)on1,-1.651767373085022
O=C(NC[C@@H](O)Cc1ccccc1)N1CCCc2ccccc21,-1.3304229974746704
CC(C)[C@H]1CCCN1C(=O)NCC1CCCCC1,-1.609734296798706
O=C(Nc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1,-0.876901388168335
Cc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.2460912466049194
Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(Br)cc2)cc1,-1.2068318128585815
Cc1nc2c(s1)CN(C(=O)NCc1cccc(O)c1)CC2,-0.8629601001739502
CCCC(C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.3472857475280762
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1470742225646973
O=C(NCc1ccc(Br)cc1)Nc1ccccc1,-1.574044108390808
CC(C)C[NH+]1CC[C@@H](NC(=O)C2CCC3(CCCCC3)CC2)C1,-1.3101862668991089
O=C(c1ccc(Oc2nc3ccccc3s2)cc1)N1CCCC1,-1.0438753366470337
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0778131484985352
O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H](O)C1,-1.3804893493652344
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3838642835617065
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1070114374160767
COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.0880647897720337
Fc1ccc(CN2CCCC(Cc3cccc(Cl)c3)C2)cc1,-1.1739170551300049
Nc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.1648436784744263
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc([O-])cc1,-1.4763081073760986
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2360388040542603
Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1O,-1.4766610860824585
O=C(Nc1cccc(F)c1)N1CCN(c2ccc(F)cc2)CC1,-1.0316060781478882
O=C(NC1CCCCC1)N1CCCN(c2ccc(Cl)cc2)CC1,-1.2012358903884888
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.237154483795166
Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(C)C)cc1,-1.4768773317337036
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)N1CCCCCC1,-1.1716198921203613
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.4151105880737305
Cc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9749501943588257
O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3571828603744507
CC(C)Oc1ccc(NC(=O)N2CCCC2)cc1,-1.6507939100265503
Fc1ccc(-c2ccccc2NCc2ccc(Cl)cc2)cc1,-1.0968592166900635
Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-0.9193964004516602
Fc1ccc(-c2ccccc2NCc2ccc(Cl)cc2)cc1,-1.1057206392288208
O=C(CCc1ccncc1)N1CCCCC1CN1CCOCC1,-1.5324277877807617
Cc1ccc(N2CCN(C(=O)c3ccc(CO)cc3)CC2)cc1,-1.1473603248596191
C[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.360861897468567
CCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1,-1.5208165645599365
C[C@@H]1CCC[C@H](CNC(=O)N2CCC3(CCCO3)CC2)C1,-1.534721851348877
Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-1.0375727415084839
CC(N)CCCC(=O)Nc1ccc(OCC(C)(C)C)cc1,-1.5626087188720703
CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1,-1.1040819883346558
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0397686958312988
C[NH+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1,-1.4892091751098633
Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1C,-1.1886407136917114
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9453110694885254
Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc12,-0.5380120277404785
O=C(NC[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1,-0.8514758944511414
CCOc1ccc(C(=O)N2CCO[C@H](C3CCNCC3)C2)cc1,-1.3665598630905151
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845786571502686
Cc1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1,-1.5161323547363281
Cc1ccc2[nH+]cc(C(=O)NCc3ccc(Br)cc3)n2c1,-1.003994107246399
CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2c2ccc(F)cc2)CC1,-0.937851071357727
CN1C(=O)CC[C@H]1c1ccc(NC(=O)c2ccccc2)cc1,-1.2316540479660034
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678376197814941
O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cn1,-0.7683577537536621
O=C(NCCc1ccc(Br)cc1)c1ccc2c(c1)COC2,-1.178991675376892
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5315394401550293
Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)on1,-0.9914407134056091
Nc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0532407760620117
CC(C)[C@H](O)CNC(=O)c1ccc(N2CCCCC2)cc1,-1.4048165082931519
O=C1CCN(C(=O)c2ccccc2)CN1CC1CCCCC1,-1.376731038093567
Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.1515467166900635
Cc1ncccc1NC(=O)NCc1ccccc1,-1.6308622360229492
CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)CCO1,-1.5143605470657349
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9749351739883423
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(F)cc1,-1.5670796632766724
Cc1ccccc1C(=O)N1CCC[NH+](Cc2ccccc2)CC1,-1.3903862237930298
O=C(COc1cccc(Cl)c1)Nc1nc2ccccc2s1,-1.0914127826690674
O=C(NC1CCC(N2CCCCC2)CC1)c1ccc(F)cc1O,-0.9810388088226318
Cc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1C,-1.3391145467758179
Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1040445566177368
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060179471969604
O=C(Nc1ccc(Cl)c(F)c1)C(=O)NC1CCCCC1,-1.0517405271530151
O=C(NCc1ccc(Cl)nc1)N1CCC2(CCCCC2)C1,-1.2903003692626953
CC(C)(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCCO3)CC1,-1.0621334314346313
O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-1.0205559730529785
C[C@H]1CCCC[NH+](CC(=O)NCCc2ccc(Br)cc2)C1,-1.3600715398788452
O=C1CC[C@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2)C1,-1.3753010034561157
CC1(C)CC(NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.4256200790405273
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1909587383270264
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080670595169067
C[C@H]1Cc2cc(C(=O)NCC[NH+]3CCCCC3)ccc2O1,-1.4076437950134277
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.510098934173584
O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0631309747695923
CC(C)N=C(O)CCOc1ccc(C(=O)N2CCCC2)cc1,-1.4778116941452026
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCOC2(CCOCC2)C1,-1.1130969524383545
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(Cl)ccc1F,-0.7275984287261963
CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.15882408618927
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2272508144378662
Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1648379564285278
CN1CCN(c2cccc(NC(=O)C3CCCCC3)c2)C1=O,-1.257690668106079
O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4097439050674438
Cc1csc(-c2ccc(C(=O)Nc3cnn(C)n3)cc2)n1,-0.8583031892776489
COc1cccnc1NCc1ccc(N(C)C)cc1,-1.4296401739120483
[NH3+][C@@H](CCc1ccc(Br)cc1)C(=O)NCC1CCCCC1,-1.4617630243301392
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.029617428779602
O=C(Nc1ccc(O)cc1)N1CCCN(c2ccccc2)CC1,-1.4460843801498413
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)n1,-1.087414026260376
Cc1ccc(-c2noc(COc3ccc(C)cc3Cl)n2)cc1,-1.078537940979004
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975648283958435
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2091439962387085
O=C(NCc1nc2cc(F)ccc2o1)c1ccc(Br)cc1,-0.9121497273445129
Fc1ccc(OCc2ccc(N3CCCCC3)cc2)cc1Br,-1.0778894424438477
Cc1ccc(C2CC(NC(=O)c3ccc(C)nc3)C2)cc1,-1.2603856325149536
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.064603567123413
O=C(NCc1ccccc1F)c1cc2c([nH]c1=O)CCCC2,-0.933048665523529
Cc1ccc(NC[C@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1,-1.3599931001663208
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8441523313522339
Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)o1,-0.9787163734436035
C[NH+]1CCN(c2ccc(C(=O)Nc3ncccc3Br)cc2)CC1,-0.8660081028938293
c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3087007999420166
O=C(CNC(=O)c1cccc(O)c1)c1ccc(O)cc1,-1.5859729051589966
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.247969388961792
Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3020166158676147
Cc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2)c2ccccc2n1,-0.45740631222724915
Cc1ccc2nc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2c1,-0.6420937776565552
CC(C)(CC(N)=O)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.046944260597229
CC[C@@H]1CCC[NH+](CCC(=O)N2CCC([NH+]3CCCC3)CC2)C1,-1.2688817977905273
O=C(Nc1nc(-c2ccccc2)cs1)N1CC[NH+]2CCC[C@H]2C1,-0.9509477019309998
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn2ccccc2[nH+]1,-0.9851519465446472
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617117047309875
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.103379487991333
CC1(C)CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1,-1.5283900499343872
C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccccc1F,-1.0281329154968262
CCC(C)(C)CC(=O)N1CCN(c2ccc(N3CCCCC3)cc2)CC1,-0.9908058643341064
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Br)CC1,-0.988523006439209
C[C@H]1C[NH+](C)CCN1C(=O)Nc1ncccc1-c1ccccc1,-0.9996273517608643
NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1,-1.1010873317718506
C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3821911811828613
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4273440837860107
c1ccc([C@H]2CCC[NH+](Cc3noc(C4CCCCC4)n3)C2)cc1,-1.1253278255462646
Cn1ccc(C[C@@H]2CCCN2C(=O)c2cccc(Cl)c2)n1,-1.0821894407272339
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1,-1.0671790838241577
C[NH+]1CCN(c2ccc(F)cc2C[NH+]2CCC3(CCCO3)CC2)CC1,-1.0539149045944214
O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9814223051071167
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.1247751712799072
Cc1ccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cc1,-1.020742416381836
O=C(Cc1nc2ccccc2[nH]1)NCc1cccc(Br)c1,-1.2164297103881836
COc1ccc(C[NH+]2Cc3ccnn3C[C@@H]2c2ccccc2)cc1,-1.0483109951019287
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4762500524520874
CCc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.473065972328186
CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.6187676191329956
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0287355184555054
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238707304000854
Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1,-0.9532953500747681
O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H]([NH+]2CCCC2)C1,-1.1011918783187866
O=C(CC1CCCCCC1)Nc1ccc(N2CCCCC2)cc1,-1.4945778846740723
O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1,-0.7958084344863892
Cc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.2264255285263062
O=C(c1ccccc1Cl)N1CCC(Cc2ccc(F)cc2)CC1,-1.0142345428466797
C[NH+]1CCN(c2cc(C(=O)NC3CCCCC3)ccc2F)CC1,-0.9623432755470276
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3814117908477783
CC(C)(C)[NH+]1CCN(C(=O)NC2CC(F)(F)C2)CC1,-1.0963433980941772
Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)n[nH]1,-1.1370227336883545
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300123929977417
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.138275384902954
O=C(Cc1nc2ccccc2s1)NCc1cccc(Br)c1,-1.0867578983306885
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.2988897562026978
Cc1ccc(C(=O)N2CCN(C(=O)C3=CCC(C)CC3)CC2)cc1,-1.0625649690628052
C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4247087240219116
CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1926342248916626
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0326954126358032
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1F,-0.5086153149604797
CC1CC[NH+](CCC2CCN(C(=O)C3CCCCC3)CC2)CC1,-1.234938144683838
[NH3+]c1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.1020777225494385
O=C(Cc1cc2ccccc2s1)NCc1ccc(F)cc1,-1.3622734546661377
C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1,-1.5890109539031982
O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8971048593521118
CC(C)(C)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1,-1.19976007938385
COc1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)cc1,-1.463102102279663
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1131823062896729
CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1,-1.3009529113769531
C[C@H]1CCN(C(=O)NCc2ccccc2)CC2(CCC2)O1,-1.5849761962890625
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3F)cc2)CC1,-1.0550373792648315
Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.075898289680481
CCCC[NH+]1CCC(NC(=O)N2CCC3(CC2)OCCO3)CC1,-1.526570439338684
Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5459131002426147
O=C(O)CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.3689578771591187
O=C(c1cccc(I)c1)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8750375509262085
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044028997421265
Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Br)c2)cn1,-1.2346127033233643
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0671299695968628
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.568450927734375
CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(C)c2)CC1,-0.9731748104095459
Cc1ccc(CC(=O)N[C@@H]2C[C@@H]2[NH+]2CCC(C)CC2)cc1,-1.265547752380371
O=C(Nc1ccc(-c2ccccn2)cc1)c1ccc(F)cc1F,-0.938032865524292
O=C(c1ccc(N2CCCC2)cc1)N1CC[NH+](C2CCC2)CC1,-1.1134065389633179
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0351839065551758
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0683692693710327
O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9006603360176086
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1572260856628418
CCCOc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1N,-1.5709017515182495
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3802920579910278
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.290535569190979
COc1ccc(NC(=O)Cc2ccc3cc(Cl)ccc3c2)cc1,-1.1720386743545532
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-1.0870167016983032
O=C(NCCCO)N1CCCC[C@H]1Cc1ccccc1,-1.6084848642349243
O=C(NCc1cccc2cccnc12)c1ccc2[nH]ncc2c1,-0.8707703351974487
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9638659358024597
O=C1NCCN1c1ccccc1,-1.8543622493743896
CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.3291518688201904
C[C@@H]1CCCC2(CCCCC2)O1,-1.9088298082351685
Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc2n1,-0.5744149088859558
O=C(c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1)N1CCCC1,-1.2542345523834229
CC1(NC(=O)N2CCC(c3ccc(F)cc3)CC2)CCC1,-1.2220555543899536
Cc1ccc(N2CCC(NCc3ccccc3)C2=O)cc1,-1.3679790496826172
O=C(CCc1ccc(Br)cc1)NCc1ccc(Br)cc1F,-0.9335831999778748
Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.1562191247940063
O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.114892840385437
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.5210776329040527
O=C(N[C@H]1CC12CCCC2)c1csc(-c2ccccc2)n1,-1.207651972770691
Cc1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1,-1.5939701795578003
O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1,-1.022403597831726
Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1337758302688599
CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3798127174377441
OC(=NC1CC1c1ccccc1)C1CCCCN1Cc1ccc(Br)cc1,-0.9139381051063538
O=C1CCCN1C[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1,-1.0623029470443726
N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1,-1.075594186782837
Cc1nc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)ccc2o1,-1.1181124448776245
O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC2(CC2)C1,-1.0700922012329102
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2occc2c1,-1.209380865097046
COc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1,-1.163390040397644
C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.513231635093689
CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.3909481763839722
Cc1ccc(OC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2146360874176025
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9103229641914368
CC1(C)CN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.5388176441192627
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,-1.131093978881836
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Br)c1,-1.1325721740722656
Cc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.3239954710006714
Nc1ccc(C(=O)NC2CN(c3ccc(F)cc3)C2)cc1,-1.1365385055541992
O=C(Cc1cccnc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.348680853843689
Cc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.41552734375
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(F)cc1,-1.551840901374817
C[NH+]1CCC(C(=O)NC[C@](C)(O)c2ccc(Br)cc2)CC1,-1.4351208209991455
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.066346526145935
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023352146148682
CCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1,-1.5747697353363037
C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5563874244689941
Nc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9940528273582458
Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1,-0.9365749359130859
O=C(NCC1CCCC1)N1CC[C@H](O)C2(CCOCC2)C1,-1.59831964969635
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9883083701133728
Cc1ccc(OC(=O)COc2ccc(C#N)cc2)cc1,-1.5962555408477783
C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.1603357791900635
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4713199138641357
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1,-0.9682103991508484
Cc1ccc(C(=O)N2CCN(C(=O)c3ccns3)CC2)cc1,-1.1568983793258667
Cc1cc(C(=O)NCc2nc3ccccc3s2)ccc1Br,-0.6993111371994019
C[C@@H](CC(=O)NCc1cccc(F)c1)c1ccc(F)cc1,-1.2843127250671387
C[NH+]1CCN(C2(C(=O)Nc3ccccc3F)CCCCC2)CC1,-1.1124954223632812
O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCN1c1ccccc1,-1.2118844985961914
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.114296317100525
O=C(CCc1ccccc1)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.5411944389343262
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9905670285224915
CC(=O)N1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1,-0.9872643351554871
Cc1ncc(C(=O)Nc2nc(-c3ccc(F)cc3)no2)s1,-0.9375508427619934
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292335748672485
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124971151351929
O=C(O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9277152419090271
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)nc2)cc1,-1.4459439516067505
Cc1cc(O)nc(-c2ccc(COc3ccccc3)cc2)n1,-1.216015338897705
Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)c[nH+]1,-1.108916997909546
O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C[C@H]1O,-1.4748122692108154
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.1595447063446045
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3503930568695068
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.588431477546692
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1863346099853516
Cc1cc(CNC(=O)c2cc3ccccc3o2)ccc1Br,-1.038390040397644
Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.4071049690246582
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.086605429649353
CN1CCC[C@@H](CNC2CCN(c3ccc(F)cc3)CC2)C1,-1.1507618427276611
Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9712836146354675
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.127903938293457
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2438108921051025
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508709192276
FC(F)(F)c1ccc(C[NH+]2CCC(c3nn[n-]n3)CC2)cc1,-0.8207074999809265
CNC(=O)N[C@H]1CCC[C@@H]1Cc1ccc(F)cc1,-1.6195889711380005
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019511699676514
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204650163650513
O=C(Nc1ccc(F)cc1)[C@H]1CCCCN1c1ccc(F)cc1,-1.0522127151489258
Cn1c(=O)oc2cc(CNS(=O)(=O)c3ccccc3)ccc21,-1.2421835660934448
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nccn2c1,-0.8874220848083496
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1,-0.7997514009475708
Cn1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)n1,-1.03135085105896
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2[NH3+])CC1,-1.0604532957077026
Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8542537093162537
Cc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)n1,-1.2221511602401733
Fc1cccc(-c2nc(COc3ccc(F)cc3Cl)co2)c1,-0.9076323509216309
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.072439432144165
N#Cc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1,-1.226273536682129
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.1895644664764404
CCCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.2643405199050903
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,-1.0487556457519531
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020824909210205
Cc1ccc(C(=O)NC2C[NH+](CCC(F)(F)F)C2)c(F)n1,-0.8618467450141907
O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.0632190704345703
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2621692419052124
O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(F)cc1,-1.0389846563339233
Nc1cccnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.887791097164154
C[C@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3069552183151245
O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC12CCCCC2,-1.3842979669570923
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5748612880706787
O=C(c1ccc(Cl)s1)N1CCC(O)(C[NH+]2CCCC2)CC1,-1.1742593050003052
Cc1ccc2cc(C(=O)NCc3ccc(N)cc3)sc2c1,-1.1295629739761353
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0324186086654663
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C,-1.1145877838134766
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(N)cc2)C1,-1.3454481363296509
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.0637627840042114
CC1(C)C[C@H](C(=O)NC2C[NH+](C3CCOCC3)C2)CCO1,-1.5376579761505127
Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(C)c1F,-0.4566156566143036
NS(=O)(=O)c1cccc(NCC(=O)N2CCc3ccccc3C2)c1,-1.0693973302841187
NC(=O)c1ccc(Cl)cc1,-1.8348273038864136
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4897359609603882
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.501064419746399
Cc1ccc(CN(C)C(=O)[C@@H]2CCCC(=O)N2)cc1F,-1.0434222221374512
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2s1,-0.7935774922370911
Cc1ccccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.136749029159546
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016359329223633
Brc1ccc(-c2noc(C[NH2+][C@@H]3CC34CCOCC4)n2)cc1,-1.14024019241333
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.0616549253463745
Cc1ccc(C[NH+]2CCCC[C@@H]2Cc2ccc(F)cc2)cc1,-1.4136472940444946
Cc1nc2cc(CNC(=O)N3CCC(C)CC3)ccc2o1,-1.1646859645843506
O=C(Nc1ccccc1-c1ccccc1)C1CC(F)(F)C1,-1.2206324338912964
CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1,-1.1658663749694824
CCc1ncccc1C(=O)N1CCN(c2ccc(O)cc2)CC1,-0.9774891138076782
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2082664966583252
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1280533075332642
Cc1cccc(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)CO2)c1,-1.5656367540359497
C[NH+]1CCN(C(=O)c2ccccc2NCC(F)(F)F)CC1,-1.00686776638031
O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccccc1Cl,-1.1986584663391113
Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C)n1,-1.102474331855774
O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2O)CC1,-1.2579140663146973
O=C(NCCc1c[nH]c2ccccc12)N1CC[NH+]2CCC[C@@H]2C1,-1.0369951725006104
O=C1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2)C1,-1.343811273574829
COc1ccc(C[NH2+][C@@H]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1,-1.5079399347305298
Cc1ccc(C[NH+]2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.4403626918792725
Cc1cc(OCc2ccccc2)c(-c2ccccc2)cc1S,-1.2469284534454346
O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)c(F)c1,-0.834248960018158
Cc1ncccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.0770361423492432
Cc1ccc(CNC(=O)N2CCC3(CCCC3)C2)c(Cl)c1,-1.130105972290039
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NCC(C)(C)O,-0.9764772057533264
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.192847490310669
O=C(NCCO)c1ccc(CN2CCCC2=O)cc1,-1.6505588293075562
Cc1ccc(NC(=O)C(NC(C)(C)C)C(C)C)cc1,-1.34529709815979
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0098357200622559
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.011939525604248
O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.4424086809158325
Cc1ncsc1-c1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1,-0.7596449255943298
Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1173415184020996
Cc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1,-1.0974371433258057
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5886026620864868
O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC12CCCC2,-1.3688855171203613
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl,-1.1669195890426636
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2972911596298218
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.0919312238693237
Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3625489473342896
O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc(O)ccc1F,-0.7937453985214233
CCCCC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.253887414932251
Cc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1cccc(F)c1,-1.2118477821350098
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0178436040878296
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2949517965316772
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125259637832642
CN(Cc1ccccc1)C(=O)C(=O)c1csc2ccccc12,-1.1170306205749512
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278396606445312
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(F)c(F)cc2F)CC1,-0.2785586714744568
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(O)cc2)CC1,-1.240289330482483
Fc1ccc(Cc2nc(Cc3ccc(F)cc3F)no2)cc1,-0.8528172969818115
COc1cccc(C(=O)NC[C@H]2CC[C@@H](C)C2)c1,-1.6131246089935303
Cn1cc(CNC(=O)NC2CCCCCC2)cn1,-1.6460753679275513
CC(C)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1,-1.2462025880813599
O=C(c1ccccc1)N1CCNCC1,-1.7879620790481567
Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)c(F)c1,-1.050747275352478
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCCCCC1,-1.2509254217147827
O=C(c1cccc(Br)c1F)N1CCN(Cc2ccccc2)CC1,-0.9941068291664124
CC1(C)CC[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C1,-1.1901935338974
O=C(N[C@@H]1CCCO[C@H]1c1cccc(Cl)c1)c1ccccc1F,-1.0782933235168457
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0734965801239014
Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2[nH]1,-0.9469369649887085
O=C(Nc1ccc(N2CCCC2=O)cc1F)c1cccnc1,-1.0341198444366455
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3476325273513794
CC(C)n1ccc(NC(=O)N2CCCC3(CCCC3)C2)n1,-1.2431831359863281
CC(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.5758941173553467
O=C(N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.0575300455093384
O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1,-0.9563677310943604
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9814022183418274
O=C1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1,-1.4379627704620361
OC1(Nc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1,-1.586205244064331
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5745186805725098
O=C(N[C@H]1CCCSC1)[C@@H]1CCCN(c2ccc(F)cc2F)C1,-0.8039906024932861
Cc1ccc(N2CCN(C(=O)S(=O)(=O)c3ccccc3)CC2)cc1,-1.1970304250717163
Nc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.24038827419281
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3736560344696045
FC(F)(F)c1ccc(-c2nc([C@H]3CCOC4(CCCC4)C3)no2)cc1,-0.8250904679298401
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.8249538540840149
O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9162684679031372
O=C(Cc1ccc(Br)cc1)NCc1c[nH+]c2ccccn12,-1.254630208015442
O=C([C@H]1CCC2(CCCCCC2)O1)N1CCN(c2ccc(F)cc2)CC1,-1.1609680652618408
O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(O)cc1,-1.1269588470458984
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1651864051818848
Oc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3747661113739014
C[NH+]1CCC[C@@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1,-1.2181262969970703
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.0550545454025269
Cc1ccc(C(=O)N[C@@H]2CC[NH+](CCC(C)C)C2)cc1F,-1.1837352514266968
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2995954751968384
CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2543309926986694
C[C@@H]1CN(C(=O)NCCCc2ccc(F)c(Br)c2)CCO1,-1.2626605033874512
Fc1ccc(N2CCOCC2)c(Cl)c1,-1.6011914014816284
Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9542344808578491
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1,-1.1611891984939575
Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9320197701454163
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.141180157661438
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1,-1.0345497131347656
CC1CCC(c2noc(COc3cccc(C#N)c3)n2)C1,-1.177112340927124
Cc1ccc(N2CC[C@H](NC(=O)c3ccn(C)n3)C2)cc1,-1.2661322355270386
Nc1ccccc1C(=O)N1CCCC[C@@H]1Cc1ccc(Cl)cc1,-1.0276107788085938
Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3O)C2)cc1,-1.143800973892212
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.031229853630066
O=C(NC[C@@H]1CCC[C@@H](F)C1)Nc1ccccc1,-1.6397247314453125
CCCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(C)c2)C1,-1.3592932224273682
C[C@H]1CCC[NH+](CC(=O)NC[C@H](O)c2ccc(Cl)cc2)C1,-1.3609291315078735
CN1CCN(c2ccc(NCc3ccc(O)cc3)cc2)CC1,-1.4089632034301758
O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9422463774681091
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2201452255249023
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.6227319240570068
Cc1ccc(NC(=O)N2CCC[C@H](CC(F)(F)F)C2)nc1,-1.006018877029419
Cc1nc(C)c(NC(=O)N(C)C[C@@H]2CCCO2)o1,-1.4399491548538208
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1660367250442505
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.8840274214744568
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2408114671707153
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874381422996521
Clc1ccc(C[C@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)cc1,-1.0667694807052612
O=C(NS(=O)(=O)c1ccccc1)C1CCC(c2ccccc2)CC1,-1.4689934253692627
Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.8864321112632751
Clc1ccc(CNC2CCCN(c3ccc(Cl)cc3)C2)cc1,-1.1060973405838013
Cn1ccc(C(=O)NC2CCN(c3cccc(F)c3)C2)n1,-1.0676935911178589
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858158111572266
Cc1cc(N)ccc1CNC(=O)c1c(F)cc(F)cc1F,-0.5586908459663391
O=C(N[C@@H]1CCC[NH+](C2CCCCCC2)C1)c1ccc(O)cc1,-1.3236204385757446
N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)cc1,-1.3577961921691895
Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(C)n1,-0.9742619395256042
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1,-0.8674304485321045
CC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)[C@H](C)C1,-1.1971967220306396
O=C(NC1CC1)c1ccn(Cc2ccccc2)n1,-1.6151518821716309
O=C(Nc1ccc(Cl)cc1)OCc1ccccc1,-1.685899019241333
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3596113920211792
C[NH+]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](c2ccccc2)C1,-1.0287442207336426
Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9838411808013916
Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)cn1,-0.7970558404922485
Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl,-1.1095465421676636
CCC(CC)C(=O)N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1,-0.9765983819961548
Cn1cc(C(=O)NC2CCCC2)c(-c2ccc(Br)cc2)n1,-0.8933101892471313
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852514743804932
Cc1nc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)cs1,-1.0512887239456177
Cc1nnc(NCc2ccccc2Cl)n1-c1ccc(Cl)cc1,-0.6052471995353699
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(S)c1,-1.0429375171661377
O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.4269458055496216
Cc1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1,-1.4766955375671387
CC(C)C1CCC(N2CCN(C(=O)c3ccccc3)CC2)CC1,-1.0478434562683105
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9263697862625122
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.674137830734253
Cc1cc(Cl)ccc1N1CCCCC1,-1.5786120891571045
CC1CCCCN1C(=O)C1CCN(Cc2ccc(N)cc2)CC1,-1.0203553438186646
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0897706747055054
Nc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1,-1.2512873411178589
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2occc2c1,-1.0680354833602905
O=C(Nc1ccccc1)[C@@H]1CCN(c2ccccc2)C(=O)C1,-1.4271636009216309
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9887402057647705
Cc1cc(F)ccc1CNC(=O)[C@H]1CCS(=O)(=O)C1,-1.360789179801941
Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.114867925643921
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124694347381592
O=C(CNc1ccccc1)OCc1ccccc1,-1.7374886274337769
Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)n[nH]1,-1.091482162475586
Oc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1988779306411743
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5313671827316284
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.325453758239746
CC1(C)CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1,-0.8621972799301147
CCOc1ccccc1CNc1cc(C)ccc1N,-1.478814721107483
O=C(c1ccc(C[NH+]2CCC[C@H](O)CC2)cc1)N1CCCCC1,-1.4204035997390747
CC(C)(C(=O)NCc1ccc(F)cc1F)C1CCCCC1,-1.077230453491211
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.05098557472229
CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8479118347167969
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.0572031736373901
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9941467642784119
COc1ccc(CNC(=O)c2cc(Br)co2)cc1,-1.5281702280044556
Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0774948596954346
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)nc1,-1.151768684387207
C[NH+]1CCN(c2ccc(C(=O)OCC(C)(C)O)cc2)CC1,-1.539128065109253
CCC[NH+]1CC(CNC(=O)c2cc(C)oc2C)C1,-1.5569088459014893
Cc1ccc(C(=O)N2CCC(CCl)CC2)cc1,-1.4353200197219849
CCOc1ccc(C(=O)NC[C@@H](O)C(C)C)cc1,-1.6247572898864746
C=C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.3418350219726562
O=C(Nc1ccc2n[nH]nc2c1)c1ccc(-n2cccn2)cc1,-1.0151962041854858
Fc1ccc(C[NH+]2CCCCC2)cc1,-1.7801648378372192
Cc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1,-1.056198000907898
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0071364641189575
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0693421363830566
O=C(NC1CC(Cc2ccccc2)C1)C1COC1,-1.663358449935913
O=C(Nc1nnc(-c2ccccc2)o1)N1CCc2sccc2C1,-0.9543192386627197
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5651905536651611
Cn1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cn1,-1.010452389717102
CSc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.0124329328536987
CC1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9590299129486084
Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1,-1.4398980140686035
COc1cccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)c1,-1.0001134872436523
CC[C@@H]1CCCN(C(=O)CSC[C@@H]2CCCCO2)CC1,-1.5602736473083496
CCOc1ccc(CN2CCN(CC)C(C)C2)cc1,-1.5738873481750488
Cn1cc(CNC(=O)c2ccc(F)cc2)c2ccccc21,-1.072625756263733
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1,-1.4548892974853516
Cn1cccc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.067935824394226
C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.3148436546325684
[NH3+][C@H]1CC[C@@H](NC(=O)c2ccnn2-c2ccc(Cl)cc2)C1,-0.9056749939918518
O=C1CCCN1c1ccc(F)cc1,-1.7415781021118164
Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2085026502609253
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(C)n1,-0.9307968020439148
CCCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1,-1.379266619682312
O=C(N[C@@H]1CC12CCC2)N1CCC(c2ccccc2)CC1,-1.3888945579528809
C[C@@H](C(=O)C1CCN(C(=O)c2cccc(F)c2)CC1)C(F)(F)F,-0.6662347912788391
Cc1ccccc1-c1ccc(NC(=O)c2ccc(O)cc2)cc1,-1.1860628128051758
C[C@@H]1CSCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.1731611490249634
O=C(NCc1ccc2c(c1)OCCO2)N1CCC[C@H](O)C1,-1.5431787967681885
CC(C)CNC(=O)N1CCN(c2ccc(F)c(N)c2)CC1,-0.9246751666069031
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2412612438201904
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1905633211135864
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.915894091129303
CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.239134430885315
O=C(NCCc1ccccc1Cl)N1CCC[C@H](CO)C1,-1.3990641832351685
O=C(c1ccccc1Br)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9351223707199097
CCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1,-1.406882643699646
COc1cccc(CNC(=O)c2ccc(C)o2)c1,-1.6398675441741943
Nc1ccc2nc(CNC(=O)Cc3ccccc3)oc2c1,-1.5013244152069092
O=C(c1cccc(F)c1)N1CCC([NH+]2CCC(CO)CC2)CC1,-1.1395800113677979
C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9717168211936951
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0454092025756836
CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(C)cc1,-1.4699769020080566
O=C(NCCc1cccc(I)c1)c1ccc2c(c1)CCO2,-1.1394778490066528
O=C(Nc1ccc(C(O)C(F)(F)F)cc1)N1CCCCC1,-1.1516507863998413
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.2046597003936768
C[C@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5062041282653809
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.117525339126587
CN1CCCC12CCCN(C(=O)N1CCN(C(=O)C(C)(C)C)CC1)C2,-0.7505509257316589
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0557559728622437
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9818122982978821
c1ccc(-c2nc(-c3ccc(CN4CC[NH2+]CC4)cc3)no2)cc1,-1.2051670551300049
O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1cccc(Cl)c1,-0.9757816195487976
CC(C)(C)[C@@H](NC(=O)Cc1ccccc1)c1ccccc1,-1.5449570417404175
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0307868719100952
N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.4647008180618286
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1816723346710205
O=C(c1ccc2ncc(O)nc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.49324697256088257
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1O,-1.0975655317306519
Cc1ccc(C(=O)N2CCN(Cc3ccccc3N)CC2)cc1,-1.1143118143081665
C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(N2CCCCC2)cc1,-1.320121169090271
Cc1ccc(C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)c(N)c1,-0.9792485237121582
CC(C)(F)C(=O)Nc1ccc(OCC(F)(F)F)cc1,-1.362421989440918
COCc1cc(C(=O)Nc2ccc(N)cc2)on1,-1.6095365285873413
Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1,-1.1305359601974487
O=C(Nc1ccc(Cl)cc1O)c1ccc(N2CCOCC2)cc1,-1.0776302814483643
O=C(c1cc2ccccc2o1)N1CCC(C[NH+]2CCCC2)CC1,-1.1800658702850342
Cc1ccc(NC(=O)C[C@@H](C)Oc2ccc(Br)cc2)cc1,-1.445418119430542
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.535982370376587
CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1,-1.5374993085861206
O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(Cl)nc1Cl,-0.9227192401885986
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678202152252197
Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl,-0.7172573208808899
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.008072018623352
Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.7048549056053162
C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-1.1005299091339111
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2919191122055054
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.4406325817108154
CC(C)(C)C(=O)NC1CCN(CC2CCCCCC2)CC1,-1.4723515510559082
O=C(CCc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.5080547332763672
Oc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-1.085298776626587
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5723868608474731
C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1503849029541016
O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)cc1,-1.0823677778244019
O=C(Nc1ccccc1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0757555961608887
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.36111950874328613
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)n1,-1.5323636531829834
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4897897243499756
Cc1nnc(CC(=O)Nc2nc(-c3ccccc3)cs2)s1,-0.9002946019172668
Nc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6689798831939697
O=C(NC1CCCCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.926238477230072
C[NH+]1CCN(c2ccc(NCc3cccc(Cl)c3)cc2)CC1,-1.2140498161315918
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.365308165550232
C[NH+]1CCC[C@H]1NC(=O)CC(=O)Nc1ccc(I)cc1,-1.3395271301269531
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cn1,-0.8627379536628723
Nc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0100082159042358
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.115237832069397
O=C(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2)CC1,-1.2728054523468018
O=C(CN=C(O)CCc1ccccc1)OCc1ccccc1,-1.6222654581069946
O=C(CC(O)c1ccc(F)cc1)NCc1ccc(F)cc1,-1.3884223699569702
CC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1,-1.074324607849121
O=C(c1ccc(Br)cc1F)N1CCC(CC2CCOCC2)CC1,-0.8657036423683167
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0206856727600098
O=C(CCc1ccccc1)N[C@@H]1CCCN(c2ccccc2)C1,-1.5149286985397339
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0202685594558716
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375888586044312
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.5144987106323242
Cc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccn2)CC1,-1.2835960388183594
Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)c(Cl)c1,-0.829945981502533
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccccn2)CC1,-1.268850564956665
Nc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1,-1.184641718864441
Cc1cccnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1,-0.9249477982521057
CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3420435190200806
CCc1csc(NC(=O)NC2CC[NH+](C)CC2)n1,-1.3289562463760376
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.9623117446899414
CC(=O)N1CCC(NC(=O)c2ccc(C)c(C)c2)CC1,-1.1197561025619507
Nc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2)cc1,-1.1104737520217896
Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1154285669326782
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124978303909302
Oc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.476541519165039
CC1(C)CC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCOCC3)C2)C1,-1.4612160921096802
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0871970653533936
O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(C2CC2)cc1,-1.5801032781600952
CCCOc1ccc(CNc2ccc(N)cc2)cc1,-1.6300829648971558
[NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)cc2)C1,-1.010430932044983
O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)cc1,-1.1183760166168213
C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1785091161727905
Fc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Br,-1.1150400638580322
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1321941614151
CC(C)(O)CNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1,-1.4671097993850708
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.218808889389038
Cc1nc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)no1,-1.021153450012207
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(O)c1,-1.1640713214874268
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4149421453475952
CC(C)(C(=O)NCC[NH+]1CCCCC1)c1ccc(Br)cc1,-1.4577714204788208
O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)C1CCCCCC1,-1.1995264291763306
[B]c1ccc(COc2ccccc2-c2ccc(C)cc2)cc1,-1.2955988645553589
CC1(C)CN(C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.4085932970046997
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565179586410522
O=C(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCCCO3)CC1,-0.8337923288345337
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0040432214736938
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9387792944908142
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2256168127059937
O=C(Nc1ccc(F)cc1F)C1CCC(c2ccccc2)CC1,-0.938426673412323
CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.4784958362579346
c1ccc(CN2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2372013330459595
CCOc1ccc(NC(=O)N2CC[C@H](O)C2)cc1,-1.6494810581207275
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1175109148025513
C[NH+]1CCN(c2ccc(OCc3cccc(Cl)c3)cc2)CC1,-1.3769079446792603
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)nn1,-0.7729048132896423
Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2o1,-1.3220442533493042
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2907081842422485
Fc1ccc(COc2cc(Cl)ccc2N2CCNCC2)cc1,-1.046610713005066
O=C(Nc1ccccc1O)N1CCC(c2ccc(F)cc2)CC1,-1.0691182613372803
Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1252031326293945
Cc1ccc(CNC2CCCN(c3ccc(Cl)cc3)C2)cc1,-1.1391699314117432
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2210602760314941
Cc1cccc(OC2CCN(C(=O)c3ncccc3F)CC2)c1,-1.049207329750061
[NH3+]c1cc(F)c(NCc2ccc(N3CCCC3)cc2)cc1F,-0.8776318430900574
O=C(Nc1ccccc1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1855775117874146
O=C(NCc1cccc(Br)c1)N1CCOC2(CCCC2)C1,-1.471218228340149
Cc1cc(NC(=O)NCCC2CCOCC2)no1,-1.7189303636550903
O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3458172082901
O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCC[NH+](C2CCOCC2)C1,-0.836219310760498
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0285451412200928
Cc1ccc([C@H]2CCC[C@@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.1601790189743042
Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0780450105667114
CCOc1ccc(OC2CCOC3(CCN(C)CC3)C2)cc1,-1.560837745666504
c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0549895763397217
Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.069231390953064
O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1,-1.1907837390899658
Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.0364187955856323
C[C@H]1CCCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1,-1.245947003364563
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1072587966918945
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9780759215354919
CC(C)(C)[NH+]1CCC[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)C1,-0.6506859064102173
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2939273118972778
O=C(c1ccccc1I)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.7968536615371704
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.071681261062622
CC(C)C(O)C(=O)c1ccc(OCC2CCCCC2)cc1,-1.5093635320663452
Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9620940685272217
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,-1.1360670328140259
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0519192218780518
Cc1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc1,-1.339125156402588
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2064188718795776
Fc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.3227893114089966
CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3570811748504639
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.533473253250122
Fc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1F,-1.2318356037139893
Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1,-1.1359301805496216
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCC,-1.3814667463302612
CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.5719192028045654
COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,-1.1464375257492065
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0373460054397583
CCCOc1ccc(N2CCN(S(=O)(=O)CCC)CC2)cc1,-1.5470117330551147
CC(=O)NCc1ccc(OCCCC(C)C)cc1,-1.7330440282821655
C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H](C)O1,-1.5140016078948975
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.059612512588501
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0617363452911377
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1192938089370728
Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9670990109443665
Cc1nc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cs1,-0.7503836154937744
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0374374389648438
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5270966291427612
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.130601406097412
O=C(Nc1snnc1-c1ccccc1)c1cc2ccccc2[nH]1,-0.880147397518158
Cc1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0202267169952393
C[C@](O)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.6389260292053223
Nc1ccc(CNC(=O)C(=O)c2ccc(Cl)cc2)cc1,-1.2754014730453491
C[C@H](CCNC(=O)c1ccn(-c2ccccc2)n1)C[S+](C)[O-],-1.3229833841323853
Cn1cc(C(=O)NC[C@H]2CCC[NH+](C)C2)c2ccccc21,-1.0837661027908325
O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCOCC2)CC1,-0.9425205588340759
CN1CCN(c2cccc(NC(=O)c3ccncc3)c2)C1=O,-1.1573153734207153
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.9121097922325134
O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[C@@H]1c1ccccc1,-1.179153561592102
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092632532119751
Cc1cc(OCc2ccccc2)cc(-c2ccccc2)c1C,-1.2924988269805908
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.5261344909667969
COc1ccc(C2CCN(C(=O)c3ccc(F)cn3)CC2)cc1,-1.0752761363983154
O=C(C[NH+]1CCC([NH+]2CCCC2)CC1)N[C@H]1CC12CCC2,-1.461586356163025
CCC[C@@H]1CCCCN1C(=O)Nc1ccc(C[NH3+])cc1,-1.5152180194854736
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9613218903541565
c1ccc(CN2CC[C@@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1,-1.3334970474243164
C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ccccc2O)CC1,-1.0795303583145142
CC(C)Cc1ccc(C(=O)Nc2ccc(O)cc2Cl)cc1,-1.1742291450500488
CS(=O)(=O)c1cccc(NC(=O)N2CCCC3(CCC3)C2)c1,-1.4387561082839966
Oc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.2423152923583984
CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.4778918027877808
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2021629810333252
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.318172812461853
Nc1cc(F)ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1,-0.9428471326828003
Cc1ccc(N2CCN(C(=O)c3ccc4cc(F)ccc4c3)CC2)cc1,-0.6595694422721863
Cc1cc(O)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-1.1437698602676392
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1670420169830322
Cc1cc(C(=O)NC2CCN(c3nnc(C)s3)CC2)no1,-0.808925986289978
C[NH+]1CCN(C[C@H]2CCCC[NH+]2Cc2ccc(Br)cc2)CC1,-1.2530853748321533
Cc1ccccc1N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-1.0295867919921875
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3576867580413818
Cc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2)c2ccccc2n1,-0.457379013299942
Oc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.3884551525115967
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)on1,-1.2528002262115479
Cc1cccnc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.087792158126831
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1000642776489258
O=C(Cc1ccccc1F)Nc1ccc(N2CCCCC2)cc1,-1.2324289083480835
Cc1cccc(C(=O)Nc2ccc(CC(C)(F)F)cc2)c1,-1.294565200805664
O=C(NCc1cc2ccc(Br)cc2o1)c1cccc(O)c1,-1.1214936971664429
C[C@@H](CC(=O)NCc1c(F)cccc1F)c1ccccc1,-1.1309428215026855
O=C1N(Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.4651646614074707
CC(C)[NH+]1CCC(NC(=O)C2CC3(CCOCC3)C2)CC1,-1.4522088766098022
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0274347066879272
CCOc1ccc(CNc2cc(Cl)ccc2Br)cc1,-1.405416488647461
CC(C)C(C)(N)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,-0.7548508048057556
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3129833936691284
Oc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.266865849494934
Cc1ccc2cc(CNC(=O)c3ccc(Br)cn3)oc2c1,-0.9839741587638855
CCCC(C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.3116002082824707
O=C(C[C@H]1C[C@H]1C1CCOCC1)NCc1ccc(F)cc1,-1.4643546342849731
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1907659769058228
Cc1cccnc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9087677597999573
O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(F)cn1,-1.1334742307662964
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.3481683135032654
Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1149755716323853
Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)no1,-0.9344393610954285
O=C(NCc1cccc(Cl)c1)c1cc2ccc(Cl)cc2s1,-0.7947517037391663
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119930982589722
O=C(Cc1ccccc1Br)Nc1ccc(N2CCOCC2)cc1,-1.2504605054855347
C[C@H](NC(=O)c1ccc(F)c(Br)c1)c1ccc(F)cc1F,-0.5159472227096558
C[NH+]1CCC(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)CC1,-1.129616618156433
Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.4441505670547485
Clc1ccc(C[C@H]2CC[NH+](Cc3ccc(I)cc3)C2)c(Cl)c1,-0.8243225812911987
C[C@H]1C[NH+](Cc2cccc(Br)c2)CCN1Cc1ccccc1,-1.271681308746338
Fc1ccc(CNc2ncccc2-c2ccc(F)cc2)cc1,-1.0284688472747803
Cc1cc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc(C)c1C,-0.5994520783424377
O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4820328950881958
Cc1cc(O)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.212327241897583
Cc1ncccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9820600748062134
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)s2)CC1,-0.9572743773460388
COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9985345602035522
Cc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,-0.6253766417503357
C[NH+]1CCCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.4151428937911987
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0173121690750122
CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.5259673595428467
Cc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9016023278236389
Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2s1,-0.7679271697998047
CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.0449022054672241
O=C(Cc1cc2ccc(F)cc2o1)NCc1ccccc1,-1.433935523033142
Cc1ncc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.011185884475708
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.8641844987869263
CC1(C)Cc2cc(NC(=O)Cc3ccc(N)cc3)ccc2O1,-1.277854561805725
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.188423991203308
CCOc1cccc(NC(=O)[C@H]2CC[NH+](C)C2)c1,-1.6295331716537476
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.1108108758926392
O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.357839822769165
O=C(Nc1ccc(Cl)cc1O)N1CCN(c2ccccc2)CC1,-1.0353641510009766
CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4384305477142334
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.8823563456535339
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)nc1,-1.311407446861267
O=C(c1ccccc1F)N1CCC[C@H](Cc2ccc(F)cc2)C1,-1.1135053634643555
Cc1ccc(C(=O)NC(=O)Cc2ccc(I)cc2)cc1,-1.3310030698776245
O=C(CNc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCC1,-1.431787133216858
C[C@H]1CCN(c2ccc(NC(=O)N3CCOCC3)cc2)C1=O,-1.234912633895874
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1432026624679565
O=C(Nc1ccc2c(c1)CCC2)Nc1ccc(F)cc1F,-0.9660456776618958
N#Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1,-1.3097949028015137
Cc1ccc([C@H]2CCCC[C@@H]2NC(=O)c2ccccc2F)cc1,-0.9799173474311829
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172540903091431
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9964137077331543
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2679734230041504
CCN1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.1450316905975342
Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0910638570785522
Cc1cc(-c2ccccc2NCC2CCCCC2)ccc1F,-1.0949064493179321
Cc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1,-1.4051929712295532
C[NH+]1CC[C@@]2(CN(C(=O)NCC3CCCCC3)CCO2)C1,-1.5681589841842651
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccccc2)C1=O,-1.1568199396133423
CC[NH+]1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9270820617675781
Cc1cccc(CC(=O)NCc2nc3ccccc3[nH]2)c1,-1.2165340185165405
Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1O,-1.3594807386398315
c1ccc(CNc2ccc3ccc(-c4ccccc4)cc3n2)cc1,-1.1237783432006836
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1csc(-c2ccccc2)n1,-0.914467453956604
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.4539966583251953
CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1468433141708374
O=C(NC1(c2ccc(F)cc2)COC1)c1ccc(I)cc1,-1.2001324892044067
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700080394744873
O=C1C[C@@H]([NH2+]Cc2ccccc2)CN1c1ccc(Br)cc1,-1.4535868167877197
Cn1cc(NC(=O)C(=O)Nc2ccc(F)cc2Cl)cn1,-1.013802170753479
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1,-1.015549898147583
Cc1ccc(-c2ccc(C(=O)Nc3ccn(C)n3)s2)cc1,-1.0707125663757324
O=C(c1ccc(Br)cc1)N1CCN(C(=O)N2CCCC2)CC1,-0.9818859696388245
COc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.5102814435958862
Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.1685599088668823
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1003410816192627
C[C@H]1CCC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.341150164604187
C[C@H]1C[C@H](NC(=O)c2ccc(I)cc2)CCN1c1ccccc1,-0.9344467520713806
Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)nc(C)n1,-0.27745145559310913
C[NH+]1CCN(c2ccc(NCC(=O)N3CCOCC3)cc2)CC1,-1.413185477256775
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.140519142150879
O=C(CCc1ccccc1)N[C@H]1CCCN(c2ccccc2)C1,-1.5114654302597046
O=C(c1ccccc1Br)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.924614429473877
c1ccc(COc2ccc3c(c2)CCO3)cc1,-1.6865313053131104
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9780213236808777
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCO2,-1.3891582489013672
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706595182418823
c1cnn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c1,-1.2343666553497314
O=C(NC[C@H]1CC12CCOCC2)c1ccc2c(c1)CCC2,-1.3436336517333984
O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.987484872341156
CC1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1,-1.3028597831726074
Nc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9942346215248108
CCCCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6685912609100342
CC(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1,-1.000436782836914
c1ccc(C[NH+]2CCC3(C2)C[NH+](CC2CCOCC2)C3)cc1,-1.5840528011322021
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-1.0917888879776
N#Cc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1,-1.5565838813781738
Oc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.186623215675354
COc1ccc([C@@H]2C[C@@H](O)C[NH+]2Cc2ccc(C)cc2)cc1,-1.3483250141143799
Cc1nc2c(s1)C[NH+](CC(=O)NCc1ccccc1)CC2,-1.0584875345230103
O=C(NC[C@H]1CC2(CCOCC2)CO1)c1ccc(F)cn1,-1.5336530208587646
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.3625391721725464
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9423584342002869
CC(C)C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1,-1.2594084739685059
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3047306537628174
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.152685284614563
Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1,-1.1759058237075806
CCOc1ccc(C(=O)N2CCOC3(CCC[NH2+]CC3)C2)cc1,-1.502353310585022
O=C(NCC(O)=Nn1c(=O)oc2ccccc21)c1ccc(F)cc1,-1.107601523399353
CN1C[C@H](CN2CC[NH+](Cc3ccccc3)CC2)CC1=O,-1.529558777809143
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)cc1,-0.9773507714271545
Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)n[nH]2)cc1,-1.0195159912109375
Cn1ccc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Cl)c2)n1,-1.0423122644424438
CC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.432201623916626
O=C(Cc1cccc(O)c1)N[C@H](CO)Cc1ccccc1,-1.6392004489898682
Fc1cccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)c1,-0.9104693531990051
CCCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1,-1.5089232921600342
Fc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.2674765586853027
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cc(-c2ccccc2)on1,-1.1233437061309814
Cc1ccc(C(=O)Nc2nc(C3CC[NH+](C)CC3)cs2)o1,-1.0292847156524658
O=C(NC[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(Br)c(F)c1,-0.8834255337715149
CC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.723899483680725
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.154614806175232
Cc1nc(C[NH+]2CCN(C(=O)c3ccc(Cl)o3)CC2)cs1,-1.047817587852478
O=C(NC1CC[NH+](CC(F)(F)F)CC1)N1CCC(F)CC1,-0.9444633722305298
NC1CCCC(CC(=O)N2CCN(Cc3ccccc3)CC2)C1,-1.3333379030227661
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2017996311187744
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.1994878053665161
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.150697112083435
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0397567749023438
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1Cl,-0.8778873085975647
O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1Cc2ccccc2C1,-1.2076433897018433
[NH3+][C@H]1CCCN(C(=O)Cc2ccc(C[NH+]3CCCCC3)cc2)C1,-1.3827193975448608
O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.382835865020752
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.151285171508789
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.1584830284118652
COC(=O)c1ccccc1C(=O)Nc1ccccc1,-1.6003345251083374
Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1O,-1.4815393686294556
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1,-1.0864708423614502
C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(F)c2)C1,-1.302499771118164
COc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4312524795532227
Cc1ccc2nc(CC3CN(Cc4ccccc4)C3)[nH]c2c1,-1.1149647235870361
Clc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1Br,-0.8752490282058716
Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1,-1.1183710098266602
O=C(Nc1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1,-1.3313229084014893
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl,-0.9539003372192383
O=C(N[C@H]1C[C@H](c2ccc(I)cc2)C1)c1ccc(F)cc1,-0.9764180183410645
CC(=NNOCc1ccccc1)C(=O)Nc1ccc(Br)cc1,-1.4412496089935303
Cc1ccc(NCC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2990515232086182
CC[NH+]1CCC[C@H](CNC(=O)c2cc(C)on2)C1,-1.5956003665924072
Cc1nc(Cl)ccc1C(=O)NCc1ccc2c(c1)OCO2,-0.890173614025116
O=C(Nc1nccs1)C(=O)N1CCN(c2ccccc2)CC1,-1.3893272876739502
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948223233222961
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255478620529175
CC(=O)N1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1,-1.133321762084961
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9212380647659302
Cc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cc1,-1.546004056930542
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2Cl)CC1,-1.0619730949401855
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.098435401916504
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)nc1,-1.0614503622055054
CC[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-0.9860620498657227
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8863544464111328
Cc1ccc(C(=O)NCC[NH+]2CCCC[C@@H](C)C2)cc1Br,-1.0994045734405518
CC(=O)Nc1cccc(NCc2ccccc2)c1,-1.6882920265197754
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-1.0925533771514893
[NH3+]c1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2049243450164795
O=C(Cc1ccccc1O)N1CCC[C@@H](Cc2ccccc2)C1,-1.4327802658081055
O=C(N[C@@H]1CCN(c2cccs2)C1)c1ccc(Cl)c(Cl)c1,-0.7733854055404663
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.069340467453003
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9050495624542236
CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H](O)C2)cc1,-1.3643925189971924
O=C1Cc2ccc(CNC(=O)c3ccccn3)cc2N1,-1.3155207633972168
O=C(c1cccc2cc(Cl)ccc12)N1CCN(c2ccc(F)cc2)CC1,-0.48021429777145386
c1ccc(-c2noc(-c3ccc(CN4CCCCC4)cc3)n2)cc1,-1.2155729532241821
O=C(NCCc1ccc(F)c(F)c1)c1ccc(F)cc1Cl,-0.7482728958129883
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH]1,-1.2680484056472778
O=C(Nc1ccc(Cl)cc1O)c1cccc(N2CCOCC2)c1,-1.0813401937484741
O=C(N[C@H]1CC[C@@H](F)C1)[C@H]1CCN(c2ccc(F)cc2)C1,-1.1287871599197388
CN(C(=O)c1ccccc1)C1CCC(c2ccc(F)cc2)CC1,-1.054173231124878
Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8633850812911987
Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0514546632766724
O=C(NC1CCCCCC1)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.1584199666976929
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.1221508979797363
CCOc1ccc(NC(=O)N2CCCCC[C@@H]2C)cc1,-1.5545904636383057
COc1ccc(N2CCC(NC(=O)C(F)(F)F)CC2)cc1,-1.140464186668396
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1565498113632202
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccn2)CC1,-0.8020239472389221
O=C(Cc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1,-1.2866151332855225
O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1,-1.61629056930542
NC(=O)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1,-1.2525235414505005
Cc1cc(C[NH+]2CCN(C(=O)c3csc(C)c3)CC2)no1,-1.283297061920166
Cc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1,-1.4079951047897339
C[C@H](N=C(O)COCc1ccc(Cl)cc1)c1ccccc1,-1.5006768703460693
O=C(c1cc(F)ccc1F)N1CCC(Cc2ccccc2)CC1,-1.0090700387954712
Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9848471879959106
O=C(c1ccc(Cl)cc1F)N1CCCCC1,-1.2723264694213867
Cc1ccc(COc2ccc(-c3ccccc3)cc2O)cc1,-1.4217578172683716
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1365365982055664
Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.418519377708435
O=C1Cc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2N1,-1.4521609544754028
COc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1,-1.460140585899353
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3684453964233398
CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.207823395729065
Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.106562614440918
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.427539587020874
Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CCCC2)cc1F,-1.0459437370300293
CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.2039254903793335
Cc1cc(C(=O)N[C@@H]2CC[NH+](C)C2)n(-c2ccccc2)n1,-1.1586493253707886
CC(=O)Nc1ccc(OCC2CCCCC2)cc1,-1.6843616962432861
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1,-1.0727707147598267
COc1ccc(C(=O)N2CCN(c3cccc(N)c3)CC2)cc1,-1.1110416650772095
O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(F)cc1F,-0.7126451730728149
CN1CC[NH+](Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1,-1.284581184387207
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2093640565872192
CC[C@H]1CCN(C(=O)NCc2ccc(C)cc2)C1,-1.6090593338012695
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3C)cc2)nc1,-1.066658616065979
CC[NH+]1CCN(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1,-1.0361531972885132
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7944911122322083
O=C(N[C@@H]1C[C@H]1C1CCOCC1)N1CCC[C@H]1c1ccccc1,-1.2279738187789917
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.440520167350769
O=C(Nc1ccccc1Cl)N1CCC(c2ccccc2F)CC1,-0.8528717160224915
Cc1cc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-1.1665185689926147
CC(C)(F)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5173894166946411
Cc1ccc(F)c(C(=O)N2CC[NH+](C[C@@H]3CCCCO3)CC2)c1,-1.227984070777893
NS(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1,-1.5862576961517334
CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5312118530273438
O=C(Nc1ccnn1-c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.06147038936615
Cc1ccc(C)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1,-1.0557740926742554
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3827024698257446
O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-1.0185483694076538
Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.024916410446167
NC(=O)NN1CCC[C@H](OCc2ccccc2)CC1,-1.657397747039795
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)o1,-1.0568017959594727
O=C(Nc1cc(F)ccc1Cl)c1cccc(N2CCOCC2)c1,-0.9658318758010864
O=C(CSc1ccccc1)OCc1ccccc1,-1.7032102346420288
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2421060800552368
Cc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1,-1.1963505744934082
Cc1cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)no1,-1.0554121732711792
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588245868682861
CC1(C[NH+]2CCCCC2)CCN(C(=O)c2ccccc2F)CC1,-1.1923787593841553
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(I)cc1,-1.2360485792160034
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.550338625907898
O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCCO2,-1.323054552078247
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312975645065308
Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1O,-1.4233105182647705
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020383358001709
O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1Cl,-0.9254634380340576
Cn1cc2c(n1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.9283390045166016
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.7961445450782776
O=C(Nc1ccc(O)cc1)N[C@@H]1CCOC2(CCOCC2)CC1,-1.5524851083755493
COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9937332272529602
O=C(NCc1ccccc1)N1CCCC[C@@H](C2CCOCC2)C1,-1.478074550628662
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2s1,-0.8812664151191711
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0093735456466675
CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])CC1,-0.9598619937896729
NC(C(=O)N1CCOCC1)c1ccc(CN2CCCCC2)cc1,-1.381075143814087
O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)CCN2,-1.2141320705413818
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133908987045288
O=C(N[C@@H]1CCCC[C@H]1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8691225051879883
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2283985614776611
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.974818229675293
Cc1ccc(N2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc1,-0.5981571078300476
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.220465898513794
Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9581571817398071
O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2[nH]1,-0.9855285286903381
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)no1,-1.0376302003860474
Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)on1,-0.996454656124115
CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1,-1.5465654134750366
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9644935727119446
O=C(Cc1cccc(F)c1)Nc1ccccc1C(=O)[O-],-1.4180666208267212
Cc1cc(O)ccc1C(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1,-1.2073839902877808
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4946296215057373
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641954183578491
Cc1ccc(CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1,-1.562218189239502
O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(F)(F)C1,-1.133865237236023
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.497676134109497
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.285245656967163
O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.3633397817611694
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.8855470418930054
Fc1ccc(CC2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.2477967739105225
N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6249338388442993
Fc1ccc(C[NH+]2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.2946230173110962
Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.9505034685134888
Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1,-1.498735785484314
CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)N)CC2)cc1,-1.2722848653793335
Cc1ccc(-n2ccc(NC(=O)c3ccc(C)o3)n2)cc1,-1.2717959880828857
N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1,-1.5150978565216064
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8892884254455566
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0859659910202026
O=C(NCc1ccc(O)cc1)N1CC[C@@H](C2CCCOCC2)C1,-1.4477113485336304
O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H](c2cccs2)C1,-1.0407838821411133
COCCC(=O)Nc1ccc(N2CCN(C)C2=O)cc1,-1.4892457723617554
CCOC(=O)c1ccc(CN=C(O)c2ccc(Cl)nc2)cc1,-1.267356038093567
O=C(Nc1ccc(Br)c(F)c1)c1cc(C2CCCC2)[nH]n1,-0.7723691463470459
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2663270235061646
CN1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.2868460416793823
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125000953674316
C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.129127860069275
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458266019821167
O=C(Nc1ccccc1O)C1CCN(c2ccc(Br)cc2)CC1,-0.9799184203147888
NC1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.1741594076156616
Nc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.38565343618392944
O=C(NC1(c2ccccc2)CCCC1)c1cc2cnccc2s1,-1.0975923538208008
O=C(COc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,-1.47481369972229
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565149784088135
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCCC[C@@H](O)C1,-1.3099656105041504
COc1ccc(CNCc2ccc(Br)cc2Cl)cc1,-1.3002656698226929
CC1CCCN(c2ccc(NCc3ccc(F)cc3)cc2)C1,-1.2536708116531372
O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9791966676712036
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9642735719680786
O=C(NCc1cccc(O)c1)N1CCOC2(CCCC2)C1,-1.5823856592178345
CC(C)(CNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1,-1.1772384643554688
N#Cc1ccc(Br)cc1CNC(=O)CCCc1ccccc1,-1.2750502824783325
Cc1nc2ccc(CNC(=O)N3CCC[C@H](C)C3)cc2[nH]1,-0.9454874992370605
O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1,-1.0644423961639404
O=C(c1ccc(Br)cc1)N1CCC(c2nc(O)c3ccccc3n2)CC1,-0.3560097813606262
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.299866795539856
O=C(O)C1CCN(C(=O)c2ccccc2-c2cccs2)CC1,-1.1054837703704834
CC1CCCCC1[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.871799886226654
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8977096080780029
Nc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0864999294281006
O=C(c1ccccc1F)N1CCN(Cc2ccc(O)cc2)CC1,-1.1392788887023926
Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1,-0.7095187902450562
CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.254412055015564
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)N1CCc2sccc2C1,-0.924639880657196
C[NH+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)C1,-0.7056984305381775
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3840954303741455
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0195249319076538
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3664802312850952
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.2160191535949707
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1O,-1.4821546077728271
Brc1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CC23CCOCC3)cc1,-1.3138138055801392
O=C(NCc1ccc(Cl)cc1)Nc1ccccc1,-1.6711537837982178
Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8985729813575745
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0147457122802734
Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4523378610610962
Clc1ccc(-c2cnc(NCc3ccc(Br)cc3)nc2)cc1,-0.8434009552001953
C[NH+]1CCN(CCCC(=O)NCc2ccc(F)cc2)CC1,-1.5635018348693848
Cc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9410157799720764
COc1ccc(CNCCc2ccc(F)cc2)cc1,-1.594072699546814
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.0902788639068604
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.0167412757873535
Cc1nc2cc(C(=O)NCC3CCC(O)CC3)ccc2[nH]1,-0.9808982014656067
Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1410237550735474
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.103715181350708
COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6143696308135986
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4735015630722046
Fc1ccc(C[NH+]2CCO[C@H](Cc3ccccc3)C2)cc1Br,-1.3947409391403198
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-1.0770183801651
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9815878868103027
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.146911859512329
O=C([O-])c1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1,-1.0623284578323364
O=C(Nc1ccccc1O)[C@@H]1CCCN(c2ccc(Br)cc2)C1,-0.9814407229423523
COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.6390267610549927
Clc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8858699798583984
CN1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1751513481140137
C[C@@](O)(CNC(=O)[C@H]1CCCCO1)Cc1ccc(Cl)cc1,-1.5290873050689697
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1666654348373413
Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)no1,-0.9338188171386719
O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.831861138343811
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Br)c1,-1.0074845552444458
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1814861297607422
O=C(Cc1cccc(Cl)c1)Nc1ccc(C(=O)O)cc1,-1.4433804750442505
Cc1noc(-c2n[nH]cc2C(=O)Nc2ccc(F)cc2)n1,-0.9045394659042358
c1ccc(C[NH+]2CC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1,-1.4147077798843384
Cc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1,-1.1997690200805664
O=C(c1ncccc1Br)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.7761304378509521
O=C(CCc1ccccc1)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.5030467510223389
CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.4782100915908813
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5749876499176025
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421528577804565
CCOc1cc(Cl)ccc1NCCN1CCOCC1,-1.6095097064971924
O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0939178466796875
Cc1ccc(CCCS(=O)(=O)NCc2cccs2)cc1,-1.5885834693908691
O=C(C1CC[NH+](Cc2ccc(F)cc2F)CC1)N1CCCCC1,-0.9161627888679504
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1,-0.912854015827179
O=C(c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1,-0.8756555914878845
C[C@@H]1CN(C(=O)c2ccccc2)CCC[NH+]1Cc1ccccc1,-1.383135199546814
Cc1ccc(F)c(NC(=O)c2ccccc2N2CCOCC2)c1,-1.062278389930725
COc1cccc(NC(=O)N2CCC=C(C3CCCC3)C2)c1,-1.4264347553253174
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(Br)cc1,-1.0017156600952148
Cc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cc1,-1.1935826539993286
c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.2516043186187744
CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2)cc1,-1.5158770084381104
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2041579484939575
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)CCCN2,-1.0205703973770142
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.888554036617279
Nc1ccc(NC(=O)C(O)=Nc2cccc(N3CCOCC3)c2)cc1,-1.1756049394607544
NS(=O)(=O)c1cccc(C(=O)N2CCCCC2c2ccccc2)c1,-1.0995711088180542
Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(Cl)cc1,-1.071427345275879
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9529991149902344
O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl,-1.1646547317504883
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CC12CCOCC2,-1.4883060455322266
O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2[nH]1,-1.0227000713348389
Cc1ccc(CNC(=O)N2CCc3cn(C)nc3C2)cc1,-1.018236756324768
Nc1ccc(C(=O)NCC2CC3(CCOCC3)CO2)cc1,-1.5728546380996704
C[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0260423421859741
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1,-1.439723253250122
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9308129549026489
Cc1cccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1,-1.3883044719696045
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9658323526382446
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.517848014831543
Fc1ccc(Cc2nc3ccc(-c4ccc(F)c(F)c4)cc3[nH]2)cc1,-0.4244515895843506
CC(C)(C)C(=O)N1CCC(NCc2ccc(Br)cc2)CC1,-1.0244693756103516
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2O)cn1,-1.0895015001296997
O=C1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.0820412635803223
O=C(Cc1ccccc1F)Nc1ccc(-c2ccccn2)cc1,-1.2031482458114624
O=S(=O)(CCc1cccc(Br)c1)NCc1ccccc1,-1.5317105054855347
O=C1C[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2)CCN1,-1.286158561706543
CO[C@]1(C)CCN(C(=O)NCc2ccccc2)C1,-1.7004356384277344
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9652072191238403
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ncccc1Br,-0.7184022665023804
Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3N)C2)cc1,-1.1535757780075073
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3835963010787964
Cc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1Br,-1.0895975828170776
O=C(NCC1CC2(CCC2)C1)c1ccc(Cl)c(F)c1,-1.2210049629211426
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801607489585876
O=C(CC1CCCCC1)N[C@@H]1CCCN(c2ccccc2O)C1,-1.3201467990875244
O=C1C(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.414104700088501
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9004116058349609
C[NH+]1CCN(c2ccc(CNc3ccc(N)cc3)cc2)CC1,-1.3169506788253784
CN(Cc1nc(-c2ccc(Br)cc2)no1)c1ccc(Br)cc1,-0.7900286912918091
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8820546865463257
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1217150688171387
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1,-1.1066985130310059
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1692450046539307
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8988363742828369
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4663687944412231
Cc1cc(C(=O)NCc2cc(F)c(F)c(F)c2)no1,-0.9192204475402832
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0145797729492188
O=C(Nc1ccc(N2CCCCC2)cc1)N1C[C@H]2CCC[C@@H]2C1,-1.08683180809021
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)s1,-1.0536435842514038
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1507649421691895
O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9702713489532471
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.149336338043213
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9817712306976318
O=C(c1ccc(NCC(F)(F)F)cc1)N1CCC[C@H](F)C1,-0.954336941242218
Cc1ccc(CNc2nnn(-c3ccc(F)cc3)c2C)cc1,-0.8498654961585999
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160059928894043
O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.421629786491394
O=C1NCCN(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1,-1.4271172285079956
O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccn1,-1.270711898803711
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700116157531738
C[C@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0370354652404785
O=C(CC1CCCCC1)N[C@@H]1CCCN(c2ccccc2)CC1,-1.4922561645507812
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.19766104221344
Cn1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)n1,-1.3473942279815674
c1ccc(-c2ccc3cc(NCC4CCCCC4)ccc3c2)cc1,-1.1844431161880493
O=C(NC[C@@H]1CCCCO1)N1CCC=C(C2CCOCC2)C1,-1.5338307619094849
C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.363539695739746
CC(=O)CCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5622034072875977
O=C(N[C@@H]1CCC(=O)N1c1ccccc1)c1ccccc1Cl,-1.06492018699646
O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.358375072479248
O=C(NCc1ccc(Cl)c(Br)c1)C1CC2(CCC2)C1,-1.0449116230010986
Cc1nnc(NC(=O)c2ccc(-c3nnc(C)s3)cc2)o1,-0.9363564848899841
Cc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1,-0.9630700945854187
O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.1508302688598633
O=C1NCCN(C(=O)c2ccccc2)[C@H]1Cc1ccccc1,-1.3493165969848633
Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)cc1,-1.0676590204238892
CC1(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)COC1,-1.2027080059051514
Cc1ccc(N=C(O)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1,-1.1959888935089111
O=C(Nc1ccc(F)cc1O)N1CCC(C2CCCCC2)CC1,-1.0550994873046875
Cc1ccc(C2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.5095282793045044
O=C(Nc1ccn(C2CCCC2)n1)c1ccc(F)c(F)c1,-0.9251469373703003
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3007400035858154
Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1536571979522705
Fc1ccc(Cl)c(CNC2CCN(c3ccccc3)CC2)c1,-1.00273859500885
COc1ccc(NC(=O)c2cc3c(nc2O)CCCCC3)cc1,-0.8906108736991882
CC1(C)C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)CCO1,-1.5263575315475464
C[C@H]1CN(C(=O)Nc2ccc(F)cc2)CCN1c1ccccc1,-1.085863471031189
O=C(Nc1ccc2nc[nH]c2c1)c1csc(-c2ccccc2)n1,-0.9182894229888916
O=C(c1ccc(Br)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.4090982675552368
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125372886657715
NS(=O)(=O)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)s1,-0.9307625889778137
CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.0938959121704102
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2358415126800537
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1731656789779663
C[C@](O)(Cc1ccccc1)C(=O)NCc1ccc(F)cc1,-1.5638381242752075
O=C(Cc1ccccc1Br)Nc1ccc(N2CCCCC2)cc1,-1.167151927947998
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.895481526851654
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ncccc1F,-0.8650448322296143
N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1,-1.287520170211792
O=C(CCc1ccccc1)Nc1ccccc1N1CC[NH2+]CC1,-1.4957661628723145
CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CCCC[NH+]2C1,-1.4518297910690308
O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccccc2Cl)CC1,-0.825148344039917
Cc1ccc(C(C)(C)CC(=O)NCc2ccccc2)cc1,-1.6052850484848022
Cc1cc(O)nc(-c2ccc(OCC3CCOCC3)cc2)n1,-1.224498987197876
c1ccc(-c2nc(C[NH+]3CCC[C@@H](c4ccccc4)C3)no2)cc1,-1.221305251121521
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0551605224609375
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5010557174682617
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ncccc1F,-0.9448496103286743
CCc1ccc(C(=O)NCCCc2ccccc2)cc1,-1.617908000946045
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.1852197647094727
COc1ccc(C(=O)NCc2cc(C)no2)cc1,-1.6190911531448364
c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.068587303161621
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](C2CCOCC2)CC1,-0.9021669626235962
Cn1cc(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)cn1,-1.3277173042297363
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9876825213432312
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9591445326805115
c1cc(N2CCCC2)ccc1CNCC1CCCC1,-1.6164461374282837
O=C(N[C@H]1CCC[NH2+]CC1)C1CCN(c2ccc(F)cc2)CC1,-1.1356196403503418
CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.1042852401733398
C[C@H]1COCC[C@H]1NC(=O)c1ccc(Br)cc1,-1.5238255262374878
CC1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1,-1.3070346117019653
O=C(Nc1ccc(-c2cccs2)cc1)[C@@H]1CCC(F)(F)C1,-1.1545178890228271
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2796657085418701
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.4075446128845215
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9119036793708801
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(Cl)c2)n[nH]1,-1.1458406448364258
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.3602523803710938
O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@H]1c1ccccc1,-0.8652304410934448
Fc1ccc(C[NH+]2CCCC[C@@H]2Cc2ccc(Cl)cc2)cc1,-1.2696839570999146
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1,-0.9810776710510254
Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.027298092842102
CC1CCC2(CCC(C(=O)OCCc3ccccc3)C2)C1,-1.575495958328247
Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[C@@H]3O)CC2)cc1,-1.1232948303222656
Nc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0286380052566528
O=C1C[C@H]([NH2+]CC2CCOCC2)CN1c1ccc(Br)cc1,-1.2176331281661987
O=C(NCc1nc2ccc(Cl)cc2o1)c1ccc(F)cc1,-0.9406025409698486
O=C(Nc1ccc(O)cc1F)c1ccc(N2CCCCC2)cc1,-1.0637013912200928
O=C(Nc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1,-1.079951524734497
O=C(Cc1ccccc1Br)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.2926268577575684
CCCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1,-1.20906662940979
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.006529688835144
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0742417573928833
CCC(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1,-1.2709511518478394
O=C(Nc1ccc(Br)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.8905071020126343
Cc1cccc(NC(=O)c2ccc(Cl)c(N3CCOCC3)c2)c1,-1.0508167743682861
O=C(CCCc1ccccc1)NCc1cccc2cccnc12,-1.4989107847213745
Cc1nc(NCC2CCCCC2)cc(-c2ccc(F)cc2)n1,-0.875088632106781
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2278861999511719
Cc1ncc(CNC(=O)Cc2cn(C)c3ccccc23)s1,-0.9261611700057983
Cc1cc(NC(=O)CC2CCCC2)n(-c2ccccc2)n1,-1.5321309566497803
O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1,-1.1070494651794434
Cc1cc(O)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.2125385999679565
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.787345290184021
O=C(NC1CC(F)(F)C1)C1CCN(c2ccccc2)CC1,-1.1831659078598022
O=C(NC1CCN(c2ccc(F)cc2O)CC1)c1ccccc1,-1.1975162029266357
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0755114555358887
O=C(NC1CCCC1)N1CCN(c2cc3ccccc3o2)CC1,-1.2976189851760864
C[C@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1,-1.3568583726882935
Cc1nc2cc(CNC(=O)N3CCCC[C@H]3C)ccc2o1,-1.0592737197875977
C[C@H]1CCC[C@@H](c2nc(CC(=O)N3CCC4(CCCCC4)CC3)no2)C1,-0.8737006783485413
Cc1cc(-c2ccccc2)c(C)cc1NC(=O)c1ccccc1,-1.10701584815979
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(F)cc1,-1.153957486152649
N#Cc1cccc(NC(=O)C2CC[NH+](C3CCCC3)CC2)c1,-1.2625690698623657
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3504575490951538
O=C(Nc1ccc(O)cc1)c1ccc(N2CCNC2=O)cc1,-1.384114384651184
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464766025543213
Cc1cnccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.151657223701477
Cc1cccc(CCCC(=O)NCc2cccc(F)c2)c1,-1.5373647212982178
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.365215539932251
C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.2046269178390503
Cn1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cn1,-1.4161348342895508
CC(=O)N1CCC[C@H](NC(=O)N2CCC(C)(C)CC2)C1,-1.4299898147583008
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cnc2[nH]ccc2c1,-1.0550148487091064
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.576526165008545
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665080785751343
Cn1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cn1,-1.4161489009857178
CC(C)Oc1ccc(N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1,-1.2017930746078491
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2289551496505737
Cn1ccc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)n1,-1.3860479593276978
Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9589241147041321
O=C1CN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CCN1,-1.4190492630004883
Cc1c(NC(=O)c2ccccc2)ccc(-c2ccccc2)c1F,-0.9910831451416016
c1ccc([C@H]2CCC[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.319593906402588
Cc1ccc(OCC(=O)N2CCC(C(O)=NC3CCC3)C2)cc1,-1.296608567237854
CC(C)(C)c1cccc(NC(=O)c2ccc(Br)cc2N)c1,-0.8960170149803162
CCN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0387532711029053
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.9195566177368164
O=C(NC1CCOCC1)N1CCCO[C@@H](c2ccc(F)cc2)C1,-1.3909270763397217
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0935158729553223
c1ccc(CNCC2(c3ccccc3)CCC2)cc1,-1.6878281831741333
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823136806488037
O=C(Nc1cc(Cl)ccc1F)c1ccc(N2CCCCC2)cc1,-0.88192218542099
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894625663757324
O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1,-1.212732195854187
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)n[nH]1,-1.2092504501342773
[NH3+]c1ccc(CC(=O)NCc2cn3ccccc3[nH+]2)cc1,-1.5092017650604248
CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.492768406867981
Cc1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)c(C)c1,-1.2114732265472412
O=C(CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,-1.2304996252059937
COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3827377557754517
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1703461408615112
Cc1nnc(CNC(=O)Nc2ccccc2C)s1,-1.2113349437713623
Cc1nc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2o1,-1.01956307888031
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874193072319031
O=C(c1ccc(F)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.3481911420822144
Cc1nc2cc(C(=O)NCc3ccc([O-])cc3)ccc2o1,-1.1606372594833374
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.022310495376587
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(I)c1,-0.9668238162994385
O=C(Nc1ncccc1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9295849204063416
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.1197779178619385
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1cccc(Cl)c1,-1.428006649017334
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1899539232254028
Cc1ccc(NC(=O)COc2cc(C)c(C)cc2C)cc1,-1.2195911407470703
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)no1,-1.2511684894561768
Oc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.4051786661148071
O=C(Cc1ccccc1)NC1CCN(C(=O)CCCF)CC1,-1.5099523067474365
Cc1ccc(-c2ccccc2)s1,-1.8094536066055298
O=C1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1,-1.1593031883239746
C[C@H]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6667077541351318
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3895140886306763
CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(F)(F)F,-1.1292197704315186
CC(C)c1cccnc1C(=O)N1CCN(c2ccccc2)CC1,-0.9519245624542236
O=C(Cc1ccccc1)N1CCN(C(=O)c2cscn2)CC1,-1.3163418769836426
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133404970169067
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636186838150024
Cc1cc(C(=O)Nc2nnc(-c3ccc(N)cc3)s2)no1,-0.8717847466468811
O=C(c1ccc(F)cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1,-0.8717933297157288
CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(Cl)s1,-1.2274974584579468
C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1Nc1ccc(N)cc1,-1.3294215202331543
CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)N)cc1,-1.5558217763900757
CC1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2128124237060547
O=C(N[C@H]1CCOC[C@@H]1C1CCCCC1)c1ccc(F)cc1F,-0.9412957429885864
O=C(Nc1cnccc1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0515109300613403
Cc1ccc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)cc1,-1.5673625469207764
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)C1,-1.097822904586792
O=C(Nc1ccccc1Cl)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.074959635734558
O=C(Nc1ccc(N2CCCC2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-1.1147258281707764
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0565433502197266
O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2)cc1,-0.9423568248748779
Clc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-0.9541813135147095
C[C@@H](Cc1ccccc1)S(=O)(=O)NCc1ccccc1,-1.6322789192199707
Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2269457578659058
CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-1.5048072338104248
Nc1ccccc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9468510150909424
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.908661961555481
O=C(c1ccc(-c2ccc(F)cc2)cn1)N1CCOC2(CCCCC2)C1,-1.0004146099090576
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3811111450195312
O=C(NC[C@H]1CCCO1)Nc1ccc(F)cc1Br,-1.4247565269470215
C[C@H]1CCCN(c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2O)C1,-1.0743653774261475
Cn1cc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cn1,-1.3870002031326294
O=C(c1ccc2nc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.3789277970790863
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.194527506828308
O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(Br)c1,-1.1129792928695679
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.4699941873550415
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.180596947669983
c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0405551195144653
c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3c3ccccc3)CC2)cc1,-1.472556710243225
CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0576000213623047
C[C@@H]1CCC[C@@H](CNC(=O)CC[C@@H]2CCN(C)C2=O)C1,-1.3052363395690918
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4636873006820679
CCc1nc(C)[nH]c(=O)c1NC(=O)c1ccc(C)cc1,-0.8698039054870605
O=C(NCCCO)c1ccc(Oc2ccccc2)cc1,-1.6218438148498535
O=C([O-])[C@@H]1CCCN(C(=O)N2CCC[C@@H]2c2ccccc2)C1,-1.1624813079833984
Cc1ccc(-c2nc(C(=O)Nc3nnc(C)s3)cs2)cc1,-0.6611894965171814
Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(F)c1,-1.0966459512710571
C[NH+]1CCC[C@@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.552487850189209
CC1(C)CCN(c2ccc(NC(=O)[C@@H]3CCCOC3)cc2)CC1,-1.3627781867980957
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4527894258499146
O=C(Nc1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1,-1.1364082098007202
CN1CCN(c2ccccc2)C1=O,-1.776058316230774
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.2259632349014282
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2169177532196045
Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1,-0.7356414794921875
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4395294189453125
CC1(NC(=O)c2ccccc2Cl)CC[NH+](C2CCCCC2)CC1,-1.0667911767959595
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0854719877243042
Oc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.0215330123901367
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.0371909141540527
C[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.8892136812210083
O=C(NCCc1cccs1)Nc1ccc(Br)cc1,-1.5290651321411133
CCN1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O,-1.1269922256469727
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700608730316162
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1Cl,-0.6076921820640564
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0218942165374756
Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.2361485958099365
O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9644722938537598
Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1,-1.5352487564086914
Cc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1C,-1.3995611667633057
Cn1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)n1,-0.9309768676757812
O=C(NCc1ccc(Cl)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8014835715293884
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)nn1,-0.9142143130302429
Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1,-1.154098391532898
COc1ccc([C@@H]2CCC[C@H](NC(=O)C(C)(C)O)C2)cc1,-1.4582549333572388
O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-1.081373929977417
COc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,-1.0945411920547485
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.250605583190918
O=C(Nc1ccc(C2CCCCC2)cc1)N1CC(F)(F)C1,-1.2743452787399292
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1004546880722046
Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3F)CC2)cc1,-1.1035897731781006
C[NH+]1CCCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9436147212982178
CC(C)Cc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1,-1.567073941230774
C[NH+]1CCCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1,-1.4123320579528809
Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.6619229912757874
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2367714643478394
Brc1ccccc1-c1ccc2nc(CNC3CCCCC3)[nH]c2c1,-0.6105790734291077
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(I)cc1,-1.4411107301712036
O=C(CCc1ccc(Cl)cc1)NCc1ccc(F)cc1Cl,-0.9559471011161804
CC(CCc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1,-1.1750736236572266
O=C(c1ccc(F)cc1F)N1CCC[C@H](Oc2ccccc2)C1,-1.0843056440353394
O=C(Nc1ccccc1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.9303615093231201
Cn1oc2cc(C(=O)NCC3CCCC3)ccc2c1=O,-1.2007803916931152
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.17135751247406
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)C[C@H](Cc2ccccc2)O1,-1.422513484954834
O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccc(F)cc2)CC1,-0.9463462233543396
CCO[C@@H](C)CC(=O)NCCc1ccc(F)cc1,-1.6499217748641968
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1242820024490356
C[NH+]1CCC[C@@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1,-1.279225468635559
O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@@H]1c1ccccc1,-0.864448606967926
CN(Cc1ccc(F)cc1)C(=O)CCc1ccc(Cl)cc1,-1.2439683675765991
CCCCCCNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4687697887420654
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6933077573776245
O=C(NC[C@@H]1CCCSC1)Nc1cccc(Br)c1,-1.491490364074707
Cc1cc(F)ccc1NC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1,-1.0008139610290527
C[C@@](O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2183043956756592
O=C(NC[C@@H]1CCC[NH+](C2CC2)C1)[C@@H]1CCOC1,-1.5987051725387573
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)n1,-1.031328558921814
CC(CN)(C(=O)O)c1ccc(COc2ccccc2)cc1,-1.5500952005386353
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2975859642028809
Cn1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cn1,-0.9996297359466553
O=C(c1cccnc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.8857432007789612
O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1CCC(F)(F)C1,-1.2336342334747314
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.9424140453338623
C[C@H]1C[NH+](C)CC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1369132995605469
O=C(Nc1ccccc1)C1CCN(c2ccc(F)cc2F)CC1,-1.0704094171524048
Cn1cc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)cn1,-0.9361854791641235
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.618227481842041
COc1ccc(-c2nnc(S)n2Cc2ccc(Cl)cc2)cc1,-0.8274454474449158
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2079275846481323
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.2842212915420532
Cc1nc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)no1,-1.173357367515564
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.440472960472107
O=C(NCc1ccc(F)c(O)c1)N1CC[NH+]2CCC[C@H]2C1,-1.0539695024490356
O=C([O-])CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1,-1.4818333387374878
O=C(CN1C(=O)c2ccccc21)N1CCC(Cc2ccccc2)CC1,-1.0371538400650024
O=C(N[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1F,-1.0097249746322632
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0334738492965698
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Br)cc2)CC1,-0.9459026455879211
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1,-0.9499040246009827
O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1,-0.8007951974868774
Nc1cccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)c1,-0.9907309412956238
Cc1cccc(-c2ccc(Cl)cc2)c1OCc1ccccc1,-1.322080373764038
CC(C)C(=O)Nc1ccc(N2CCN(C(C)C)CC2)cc1,-1.1014117002487183
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9235715866088867
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1,-1.1549838781356812
O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)CCC2,-0.8847249150276184
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368123054504395
Cc1ccc(CC(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1,-1.3366587162017822
Cc1cccc(-c2nc(C(=O)N[C@H]3CC34CCC4)no2)c1,-1.2409367561340332
Cc1cc(NC(=O)N2CCN(c3ccccc3)CC2)ccc1N,-1.0832910537719727
O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2250324487686157
N#CNC(=O)C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-1.187965989112854
O=C(N[C@@H]1CC12CCC2)c1cc(-c2ccc(Br)cc2)n[nH]1,-1.0120049715042114
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.009621262550354
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.983106791973114
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2385705709457397
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9789156317710876
O=C(c1ccnn1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.073358416557312
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.212258219718933
O=C(NCCOC1CCOCC1)c1ccc(Cl)s1,-1.5650726556777954
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0353816747665405
COc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1,-1.1540113687515259
O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.834160566329956
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1282986402511597
Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](F)C1,-1.622499704360962
CC1(C)CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2681986093521118
NCCCc1ccc(CNC(=O)c2ccccc2)cc1,-1.6526166200637817
O=C(Nc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1,-1.072773814201355
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.2255374193191528
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.890381395816803
O=CNC1CCN(c2ccc(F)cc2)CC1,-1.6528021097183228
O=C(C[NH+]1CCC(F)(F)C1)NCc1ccc(Br)cc1,-1.2667559385299683
C[NH+]1CCC(CNC(=O)CCCc2ccc(Br)cc2)CC1,-1.4752744436264038
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.296769380569458
Cc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccccc2C)cc1,-1.1634435653686523
COc1ccc(CC(=O)Nc2c(C)cc(C)cc2C)cc1,-1.161307692527771
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3672641515731812
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4262385368347168
O=C(Nc1ccc(Cl)cc1Cl)c1cccc(-c2ccccc2)c1,-1.0103853940963745
CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3401696681976318
CCOc1ccc(NC(=O)N2CCCOCC2C)cc1,-1.58037269115448
Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(O)cc1,-1.3359202146530151
c1cnn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1,-1.3025249242782593
Cc1ccc(C(=O)N2CCCC(C(O)=NCc3ccccc3)C2)cc1,-1.1549875736236572
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0224086046218872
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.1272386312484741
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0888257026672363
O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.9669018983840942
Cc1cc(Cl)ccc1C(=O)Nc1cccnc1N1CCCCC1,-0.8160402774810791
Fc1cc(-c2ccc(NCc3ccccc3)cc2)ccc1Cl,-1.2476917505264282
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0226002931594849
Cc1cnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0241974592208862
c1ccc(CNC2CCN(CC3CCC3)CC2)cc1,-1.6413238048553467
O=C(NCc1ccc(Cl)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8378407955169678
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2502995729446411
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9319499135017395
COc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2c2ccc(Br)cc2)cc1,-1.1777576208114624
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1583807468414307
Cc1ccc(C(=O)N2CC[NH+](Cc3ncccc3C)CC2)cc1,-1.035144329071045
Cc1ccc(NC(=O)N2CCN(C(=O)CC(C)C)CC2)cn1,-1.0570399761199951
[NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1,-1.1989930868148804
[NH3+]C1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1232407093048096
CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(Cl)o2)C1,-1.4531266689300537
Clc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Br,-1.0326731204986572
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0781580209732056
O=C(Nc1ccccc1O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.010788917541504
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4463303089141846
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0273269414901733
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.070580244064331
Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1,-0.8902669548988342
O=C(NCCS(=O)(=O)O)c1ccc(N2CCOCC2)cc1,-1.5542058944702148
CC(C)C(C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.1543993949890137
COc1ccc(NC(=O)Cc2ccc(Br)cc2C)cc1C,-1.110510230064392
Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.1469370126724243
CC(C)[C@H]1CCC[C@H](NC(=O)NCC(N)=O)C1,-1.5147839784622192
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0376083850860596
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278457403182983
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.5891795754432678
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0630537271499634
CN1CCN(c2ccc(COc3ccc(F)cc3)cc2)CC1,-1.444786787033081
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.322028636932373
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1226094961166382
Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[nH]1,-0.9703550934791565
Cc1cnccc1C(=O)N1CCC(Oc2ccc(N)cc2)CC1,-1.2007677555084229
COC(=O)CCc1ccc(NCc2ccccc2)cc1,-1.6453437805175781
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975685834884644
Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1,-1.2469500303268433
Cc1cccnc1C(=O)N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-0.9336029291152954
C[NH+](C)C1CCN(C(=O)[C@@H]2CCCN(c3ccccc3)C2)CC1,-1.1684401035308838
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3408093452453613
[O-]c1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.516847014427185
Cc1cccc(C(=O)NCC(=O)N2CCCC(C)C2)c1,-1.395780086517334
CC1CCN(C(=O)C(=O)NCc2ccc(I)cc2)CC1,-1.1750614643096924
Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.035213828086853
Cc1cc(C(=O)Nc2ccnn2-c2ccc(Br)cc2)no1,-1.1154848337173462
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0924021005630493
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2[nH]1,-0.9683195948600769
O=C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.122114658355713
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1902730464935303
O=C(NCC1CCCCC1)Nc1ccc(F)nc1,-1.6283471584320068
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.236594319343567
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.8779674768447876
C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)[NH+]1CCCC1,-1.487244963645935
CCc1nc(C(=O)NCc2ccc(Br)cc2)cs1,-1.1511404514312744
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0334155559539795
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2591941356658936
Cc1ccncc1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.117902159690857
Cc1ccc(CNC(=O)N2CCc3nc(C)sc3C2)nc1,-0.6551812887191772
C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1361711025238037
CCc1ccc(C2CCN(C(=O)c3ccc(C)cn3)CC2)cc1,-0.9858050346374512
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.06997549533844
O=C(COc1ccc2c(c1)OCO2)Nc1ccc(F)cc1,-1.5495853424072266
CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.2768436670303345
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.2362513542175293
c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(N2CCCCC2)CC1,-0.9340559244155884
CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.6195093393325806
Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)n[nH]1,-1.0922502279281616
CC(C)(C)c1ccc(NC(=O)C2CC3(CC3)C2)cc1,-1.4447007179260254
Cc1ccc(C(=O)N2CCC(C[NH+]3CCCCC3)CC2)c(O)c1,-1.1465057134628296
Cc1ccc(CC(=O)NCc2ccc(Br)c(F)c2)o1,-1.3748420476913452
O=C1CCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.1305744647979736
O=C(N[C@H]1CC12CCCCC2)N1CCN(c2ccccc2)CC1,-1.3171504735946655
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-0.9902331829071045
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(Br)c2)no1,-1.1062480211257935
Cc1ccc2cc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc2n1,-0.5279713869094849
O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)OCO2,-1.0187000036239624
NC(=O)c1ccccc1NC(=O)Cc1ccc(O)cc1,-1.4918818473815918
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1606602668762207
CC[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Br)cc3)CC2)C1,-0.8990042209625244
Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.0517054796218872
Cn1cc(NC(=O)[C@@H]2CCOC2)c(-c2ccc(Br)cc2)n1,-1.1215565204620361
Cc1noc(-c2ccc(C(=O)N[C@H]3CC[C@H](C)C3)cc2)n1,-1.0832774639129639
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5233559608459473
Cc1nc(-c2cc(F)cc(NC(=O)c3cccs3)c2)no1,-1.002505898475647
O=C(NCc1ccc(F)nc1)N1CCC2(CCOCC2)C1,-1.5016615390777588
Cc1ccc(CNC(=O)C[NH+]2CCc3sccc3C2)cc1,-1.2810306549072266
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1scnc1-c1ccccc1,-0.954643189907074
O=C(c1ncccc1F)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.8302980065345764
Nc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0916162729263306
CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H]2C2CCOCC2)n1,-1.1183863878250122
Cc1ccc(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1,-1.3973214626312256
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399705171585083
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5310454368591309
O=C1CCC[C@@H](NC(=O)C2CCN(c3ccccc3)CC2)C1,-1.343496561050415
CCC(C)C(=O)Nc1ccc(C[NH+]2CCO[C@@H](C)C2)cc1,-1.5243514776229858
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.089855432510376
[NH3+]C1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9453800320625305
Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccco2)cc1,-1.1531516313552856
O=C(C1CCCCC1)N1CCN(CC(O)c2ccccc2)CC1,-1.4272454977035522
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.3764311075210571
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.851754367351532
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)sn1,-1.0317398309707642
CC(C)(CC(=O)NCc1ccccc1)c1ccc(O)cc1,-1.6116456985473633
C[C@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(O)cc1,-1.321035623550415
C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8986744284629822
O=C(CCc1ccc(Br)cc1)NCc1ccc(Br)cc1Cl,-0.8796053528785706
O=C(NCc1ccc(F)cn1)[C@@H]1CCC2(CCCCC2)C1,-1.315033197402954
C[C@@H]1CCC[C@@H](C(=O)NC2CC(c3ccc(F)cc3)C2)C1,-1.0382100343704224
CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.1640243530273438
O=C(Nc1ccc(I)cc1)N1CCN(CC(F)(F)F)CC1,-0.9418519735336304
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.328456997871399
Cc1nc(CNC(=O)Cc2ccc(Cl)cc2)sc1C,-0.9217845797538757
Cc1ccc(N2C[C@@H]([NH2+]Cc3ccccc3)CC2=O)cc1,-1.5030890703201294
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.463425636291504
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898325800895691
O=C(Nc1cc(C2CCCCC2)[nH]n1)[C@H]1C[C@@H]2CCCC[NH+]2C1,-0.9435417652130127
CC1CCN(C(=O)NC2CCN(CC(C)(C)O)CC2)CC1,-1.4483948945999146
Cc1ccc(CNc2cc(O)nc(-c3ccccc3)n2)cc1,-1.160442590713501
NC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1,-1.2511076927185059
Cc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1Br,-0.9617465138435364
Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC3=O)C2)cc1,-1.1441401243209839
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1Cl,-0.7898582220077515
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(Br)cc3)C2)s1,-0.680768609046936
C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0374892950057983
Cc1ccc(CCC(=O)Nc2ccc(N(C)C)cc2)cc1,-1.4663174152374268
Cc1ccc(NC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1196417808532715
C[C@@H]1CN(Cc2ccc(Nc3ccccc3)cc2)C[C@H](C)O1,-1.5164480209350586
Cc1ccc(-c2noc(CCOc3ccc(Cl)cc3)n2)cc1,-1.179207682609558
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Br)cc1,-1.2777570486068726
[NH3+]C[C@H]1CCCN(C(=O)c2ccccc2-c2ccc(I)cc2)C1,-0.8513131737709045
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9890357851982117
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.3049001693725586
O=C(NCCC(O)=Nc1ccccc1)Nc1ccc(Br)cc1,-1.4428657293319702
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4733811616897583
Nc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3895217180252075
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2o1,-1.1253255605697632
Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(C)n1,-0.8761922121047974
CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(Br)cc1,-1.327248215675354
Clc1ccc(-c2ccccc2)c(OCc2ccc(Br)cc2)c1,-1.0717904567718506
O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]1c1ccccc1F,-0.9225354790687561
Nc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9509131908416748
CC1(NC(=O)c2cccc(Cl)c2)CCN(c2ccccc2)CC1,-1.1874420642852783
c1ccc(N2CC[NH+](Cc3nnnn3C3CCCCC3)CC2)cc1,-0.9962677955627441
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.033370852470398
O=C(Nc1ccc(N2CCCC2)cc1)c1cn2ccccc2[nH+]1,-1.217339277267456
O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccccc2F)C1,-0.9657917022705078
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8086957931518555
O=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1,-0.9042220115661621
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.529778242111206
Cc1cc(CNC(=O)c2cc3ccccc3o2)ccc1O,-1.2398333549499512
CCOc1ccc(NC(=O)c2conc2Br)cc1,-1.4834649562835693
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0086336135864258
Cc1nnc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.1259078979492188
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9362872838973999
c1cc(CNCC2CCCC2)cc(-n2cccn2)c1,-1.610395073890686
Cc1cc2cc(C(=O)NCC3CCC(O)CC3)cnc2[nH]1,-1.0513379573822021
O=C(Cc1ccccn1)N1CC[NH+](CCc2ccccc2)CC1,-1.4974676370620728
Cc1ccc(C(=O)N[C@H](C)CCc2ccc(Cl)cc2)cc1,-1.273519515991211
O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.279537320137024
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.0991250276565552
Cc1ccc(C(=O)Nc2cc(C)ccc2C(=O)[O-])cc1,-1.2426031827926636
CC(C)(C)C(N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.7403708100318909
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0267459154129028
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.005784273147583
COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1394743919372559
CC(NC(=O)c1ccnn1-c1ccc(Cl)cc1)C(=O)O,-1.1975473165512085
Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)nc1,-1.0321998596191406
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2622764110565186
CC[C@@H](C)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.161713719367981
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.035720705986023
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5764809846878052
O=C(NCCCCC(F)(F)F)c1ccc(N2CCOCC2)cc1,-1.3209136724472046
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.4204163551330566
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)nc1,-1.5303789377212524
O=C([C@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.122171401977539
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0269203186035156
Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0929841995239258
CCC(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1,-1.1880213022232056
Nc1cccc(CNC(=O)Cn2ccc3ccccc32)c1,-1.3737421035766602
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cn1,-1.0138875246047974
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.1141538619995117
Cc1coc(C(=O)NC[C@@H]2CCOC3(CCOCC3)C2)c1,-1.590307593345642
CCCCCCCCCCNC(=O)c1ccc(C(F)(F)F)cc1,-1.4017914533615112
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5053759813308716
CCN1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1,-0.92831951379776
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1,-1.180547833442688
Nc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-0.9350597858428955
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ncccc1Cl,-0.7831450700759888
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCC[NH+](C2CCOCC2)C1,-1.0390138626098633
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9612272381782532
O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](c2ccccc2)C1,-1.5037407875061035
COc1ccc(CNCc2ccc(O)cc2Br)cc1,-1.4277604818344116
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1354522705078125
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210173487663269
Cc1ccc(O)c(NC(=O)N2CCN(C3CCCCC3)CC2)c1,-1.0870800018310547
Cc1cc(N2CCC(NCc3ccccc3)CC2)nc(O)n1,-1.221772313117981
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1398159265518188
Cc1ccc(NC(=O)c2ccc(CC(F)(F)F)cc2)cn1,-1.237578272819519
Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc2n1,-0.5742922425270081
C[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCCC2=O)C1,-1.1091358661651611
O=C(N[C@@H]1CCN(c2nc3ccccc3o2)C1)C1CCCCC1,-1.0523276329040527
Cc1cccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4c3)CC2)c1,-0.5903735160827637
O=C(COc1ccc(I)cc1)Nc1ccc2nocc2c1,-1.399643063545227
CC(CN=C(O)CNC(=O)c1ccccc1)C1CCCCC1,-1.5072948932647705
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0005851984024048
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4734922647476196
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9004082679748535
Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C,-1.3793460130691528
Cc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1F,-0.5417228937149048
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1337991952896118
CC1(C)CCCN(C(=O)NCc2cc3ccccc3o2)C1,-1.4139118194580078
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(I)c1,-0.922172486782074
Nc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.668980360031128
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1491366624832153
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110253810882568
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3225462436676025
CC(C)(C)CC(=O)NC1CC[NH+](CC2CCOCC2)CC1,-1.5521663427352905
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9309722781181335
Clc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.006522297859192
C[NH+]1CCC[C@H](C(=O)N2CCC(Nc3ccccc3Cl)CC2)C1,-0.927650511264801
O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1,-1.1169360876083374
O=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.2423053979873657
O=C(c1ccc(I)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1,-0.9390271306037903
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0909491777420044
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1,-0.9549345374107361
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.1246370077133179
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5003637075424194
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.7157329320907593
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0074151754379272
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3345617055892944
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.3626518249511719
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2410348653793335
O=C(NC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl,-0.7866498827934265
C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(O)cc1,-1.5619701147079468
C[NH+]1CCN(c2cc(Cl)ccc2NCC2CCOCC2)CC1,-1.1028379201889038
Cc1ccc(C[NH+]2CCCN(C(=O)c3cc[nH]c3C)CC2)cc1,-1.1732949018478394
O=C(COc1ccccc1)N1CCC(c2ccc(Cl)cc2)CC1,-1.2561086416244507
C[C@H]1CC[C@@H](N[C@H]2CCN(Cc3ccccc3)C2=O)CC1,-1.5249110460281372
C[NH+]1CCCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1c1cccc(F)c1,-1.0783278942108154
O=C1CC(NCc2ccc(Cl)cc2)CN1c1ccccc1,-1.2944214344024658
COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cn1,-1.148985743522644
O=C(Cc1nc2ccc(Cl)cc2s1)NC[C@H]1CCCCO1,-0.9873550534248352
O=C(Nc1ccc([O-])cc1)N1CCC[C@@H](c2ccccc2Cl)C1,-0.9754509925842285
Cc1ccc(CNC(=O)c2cc3ccc(C)cc3s2)cc1,-1.0716757774353027
COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6040359735488892
c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.30320143699646
CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1,-0.6795433163642883
Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2ccccc2)c(C)c1,-1.057742714881897
C[C@@H](CNC(=O)Cc1ccc(Br)cc1)C[NH+]1CCOCC1,-1.5076192617416382
NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1,-1.2011926174163818
O=C(Nc1ccccc1O)C1CCN(c2ccc(F)cc2)CC1,-1.0681575536727905
Nc1ccc(CNC(=O)N2CCc3ccc(Br)cc32)cc1,-0.8969498872756958
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1388378143310547
Cc1cccc(C(=O)Nc2cn(C)nc2-c2cccs2)c1,-1.065556526184082
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-0.9360603094100952
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.128483772277832
O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1,-1.1587224006652832
Cn1ccc(C(=O)N[C@H]2C[C@@H](c3ccccc3)C2(C)C)n1,-1.094071388244629
O=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2808419466018677
CC(O)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.6414932012557983
Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)cs1,-1.5169538259506226
Cc1cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-1.0359402894973755
Cc1ccc(C(=O)NCc2nc3ccc(F)cc3s2)cc1,-0.8388150930404663
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0763554573059082
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2343175411224365
COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C)cc3)C2)cc1,-1.1338845491409302
O=C(COc1cccc(Cl)c1)N[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.272197961807251
Cc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1,-1.2006192207336426
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6410069465637207
Oc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.4059010744094849
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202195882797241
COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.6873371601104736
O=C(c1ccc(Cl)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.35033199191093445
C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4545565843582153
O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9546079039573669
CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5990184545516968
Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1I,-0.6713491082191467
Cc1scnc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.8239472508430481
CC(C)c1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)no1,-0.9455868005752563
COc1ccc(NCc2ccccc2OC)cc1I,-1.3551948070526123
Cc1cccc(CNC(=O)NC2CCCCC2)n1,-1.6036745309829712
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9743953347206116
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4245526790618896
Cc1nnc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)s1,-0.7690765857696533
O=C(N[C@@H]1CC12CCC2)c1cc(-c2cccc(Cl)c2)on1,-1.0868862867355347
CN(CCc1ccccc1)Cc1cccc(F)c1F,-1.5716583728790283
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1O,-0.5373684763908386
COc1ccc(C(=O)NCCCN2CCOCC2)cc1,-1.6275967359542847
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4405056238174438
COc1ccc(CNC(=O)c2ccc(I)s2)cc1,-1.4057323932647705
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1357172727584839
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0463935136795044
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.541877031326294
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1577414274215698
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1,-1.3381870985031128
O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)C1=COCCC1,-1.5673190355300903
Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1C,-0.9692386984825134
Cc1cc(CNC(=O)c2cn(C)nc2C)ccc1Br,-0.8417885899543762
CC1CC[NH+](CC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.4190961122512817
NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0623778104782104
O=C(c1ccc2ncc(O)nc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5072136521339417
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0765905380249023
O=C(c1ccc(F)nc1)N1CC[NH+]2CCN(c3cccc(F)c3)C[C@@H]2C1,-0.4959123134613037
Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4781938791275024
Clc1ccc(OCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1495938301086426
CCOC(=O)c1cccc(Cc2noc(O)n2)c1,-1.608412265777588
Cc1ccc(N=C(O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1,-1.1510941982269287
CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1,-1.221956729888916
C[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccc(Cl)cc2)CCCO1,-1.1329693794250488
O=S(=O)(NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1,-1.34865140914917
Oc1ccc(C[NH+]2CCN(CC3CCCCC3)CC2)cc1Cl,-1.19083571434021
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9415525197982788
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.1897813081741333
CC(C)Oc1ccc(NC(=O)C2CCCC2)cc1,-1.6435004472732544
Cc1ccc(C(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)cc1,-1.1113440990447998
COc1ccc(N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1,-1.1112712621688843
CC(C)(C)C(=O)NCc1nc(-c2ccc(Cl)s2)no1,-0.9485244750976562
Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1,-1.098154902458191
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9435551762580872
Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCOC3)CC2)c(O)c1,-1.2193912267684937
Cc1ccc(C)c(C(=O)N2CCN(C(=O)C[C@@H](C)C(=O)[O-])CC2)c1,-0.8041963577270508
CC1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3781256675720215
CCCC(=O)NCc1ccc(N2C[C@H](C)CC2=O)cc1,-1.4669618606567383
C[C@@H]1CN(c2ccc(CC(=O)Nc3ccccc3)cc2)CCO1,-1.541739583015442
O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5403623580932617
O=C(Nc1ccccc1O)N1CCCC[C@@H]1c1ccc(Cl)cc1,-1.0077741146087646
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-0.9828978180885315
Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1,-1.259581208229065
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1570618152618408
C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9439471364021301
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(N)c1,-1.1611127853393555
O=C(N[C@H]1COCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.1349103450775146
CC(C)N1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C1=O,-0.6862225532531738
O=C(O)N1CCC[C@H]1Cc1nnc(-c2ccc(F)cc2)o1,-1.1049898862838745
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.494477391242981
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.959743857383728
O=C(N[C@H]1CCC(F)(F)C1)c1cn[nH]c1C1CCCCC1,-0.9136930704116821
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0398926734924316
Nc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.09112548828125
O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1898967027664185
CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1,-1.5636245012283325
Cn1ccc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n1,-1.2476153373718262
Cc1ccc(COc2cc(I)ccc2N2CCNCC2)cc1,-1.0702877044677734
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2542736530303955
Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1Br,-1.1129475831985474
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(I)cc2)CC1,-1.3855652809143066
C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccc(F)cc3)CC2)C1,-0.9895726442337036
O=C(NCCc1cccs1)Nc1ccc(Cl)cc1,-1.5760219097137451
Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4697039127349854
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741722941398621
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9949918985366821
O=C(c1ccc(O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.6187973022460938
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1S,-0.9737238883972168
O=C(Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1,-1.3392114639282227
O=C1NC[C@H]2CCCC[C@H]12,-1.9121190309524536
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-1.1024504899978638
O=C(NC1CCN(c2cccc(Br)c2)CC1)c1ccccc1Br,-0.7864006757736206
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1369260549545288
CCNC(=O)CCCc1ccc(OC(C)C)cc1,-1.6775646209716797
CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.4978796243667603
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6933070421218872
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565053224563599
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3nccs3)CC2)cc1F,-0.7166215181350708
O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.8757985830307007
O=C(c1ccccc1F)N1CCN(Cc2ccc(O)cc2)CC1,-1.135697841644287
c1ccc(N2CC[NH+](Cc3noc(C4CCCCC4)n3)CC2)cc1,-1.1731364727020264
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536210536956787
C[C@@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCC3)CC[NH+]1C,-1.0230644941329956
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)c1,-0.9466063380241394
CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.140728235244751
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0057371854782104
O=C(Nc1ccc(O)cc1)N1CC[NH+](CC(F)(F)F)CC1,-1.239073634147644
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.7444353103637695
C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1,-1.0418757200241089
CC(C)([NH3+])CC(=O)NC1CCC(Cc2ccccc2)CC1,-1.5458253622055054
Cn1cc([C@@H]2CCC[C@H]2NC(=O)c2cccc(Cl)c2)cn1,-0.966579794883728
Cc1cccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)c1,-1.2740345001220703
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8859348893165588
CC(C)c1ccc(C(=O)Nc2c(F)cc(F)cc2Cl)cc1,-0.4932580590248108
O=C(NC[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(F)c(Br)c1,-0.7291280031204224
Cc1cc(OCc2ccccc2)c(-c2ccccc2)cc1N,-1.387253999710083
Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.8802959322929382
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903855681419373
C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1,-1.423344373703003
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2ncoc2c1,-1.109724521636963
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123109340667725
CC1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.2826318740844727
O=C(NCc1ccc(Cl)nc1)N1CCC2(CCCO2)CC1,-1.396234393119812
CC1(C)CCC[C@@H]1NC(=O)NCc1ccccc1,-1.6547410488128662
Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0502322912216187
C[NH+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2c2ccccc2)C1,-1.4115304946899414
Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2267040014266968
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.375650405883789
COc1ccccc1CNCc1ccc(F)cc1I,-1.204501986503601
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.0905585289001465
O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0747475624084473
Cc1ccc(C)c(NC(=O)c2ccc(N3CCOCC3)nc2)c1,-1.067170262336731
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0326560735702515
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4720975160598755
O=S(=O)(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1,-1.5806679725646973
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0641200542449951
CN1CCN(Cc2ccc(O)cc2)C(Cc2ccccc2)C1,-1.4838461875915527
Cc1nnc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)o1,-1.0636546611785889
Fc1ccc(C[NH+]2CCCC[C@H]2Oc2ccccc2)c(F)c1,-1.21363365650177
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.253167986869812
O=C(CN=C(O)CNCc1ccc(F)cc1)C1CCCCC1,-1.4603967666625977
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9557182192802429
COc1ccc(C(=O)NCc2ccc(O)s2)cc1,-1.5856614112854004
O=C(COc1ccccc1)NCc1ccc(Br)o1,-1.609189748764038
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1,-1.0709959268569946
O=C1Cc2cc(CNC(=O)c3ccccc3)ccc2N1,-1.4489458799362183
Cc1ccc(N2CC[NH+](CCC(=O)NC3CCCC3)CC2)cc1,-1.4014570713043213
O=C(NCc1ccc(Br)cc1)c1cc2cc(O)ccc2o1,-1.1220985651016235
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)CC1,-1.315653681755066
O=C(Nc1nc2ccccc2o1)C1(c2ccccc2)CCCC1,-1.3084404468536377
Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1-c1ccccc1,-1.0849779844284058
Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-1.071230411529541
O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9623520970344543
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)cc1)[C@@H]1CC[C@H](F)C1,-1.2051368951797485
Nc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1395667791366577
COc1ccccc1CNc1cccc(S(C)(=O)=O)c1,-1.5451767444610596
O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)NC(=O)CCO2,-1.2187809944152832
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0331695079803467
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.8488039970397949
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5758740901947021
C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2cccc(Cl)c2)C1,-0.8153161406517029
O=C(CN1C(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1c1ccccc1,-0.9411125183105469
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.177301287651062
O=C(NC1C[C@@H]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1,-0.8471215963363647
Cc1ccc(NCC(=O)N2CCN(C3CC3)CC2)cc1Cl,-0.9001181721687317
O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2o1,-1.1943684816360474
O=C(C1CCCC1)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1,-1.0088850259780884
COc1ccc(C(=O)N2CCN(c3ccc(N)cn3)CC2)cc1,-1.0116678476333618
Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n[nH]1,-1.0989947319030762
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.9921231865882874
O=C(Nc1ccc(N2CCOCC2)cc1)C(O)=Nc1ccc(F)cc1,-1.155558705329895
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636403799057007
C[C@H]1C[NH2+]CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3517602682113647
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0075702667236328
O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.475907325744629
Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2605019807815552
COc1ccccc1NC(=O)N1CCC2(CCN(C)C2)C1,-1.499937891960144
O=C(c1cc(O)ccc1Cl)N1CCC[C@H](Cc2ccccc2)C1,-1.0439724922180176
Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1937562227249146
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1536163091659546
Fc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.0053235292434692
Cc1ccc(-c2occc2C(=O)N[C@H]2CC[NH+](C)C2)cc1,-1.2728182077407837
O=C(N[C@H]1CCC[C@@H]1c1cccc(F)c1)c1ccc(F)s1,-0.911916196346283
Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3)C2=O)cc1,-1.2245848178863525
C[C@H]1CC2(CCCC2)CN1C(=O)NCc1ccc(Br)nc1,-1.0877470970153809
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1690489053726196
Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3522539138793945
CCOc1ccccc1NC(=O)c1c[nH+]c(Br)[nH]1,-1.5104353427886963
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl,-0.8005990386009216
O=C(c1ccc(I)cc1)N1CCC(Nc2ncccc2F)CC1,-0.7192519307136536
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3069344758987427
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439554810523987
Fc1ccc(C[C@@H]2COCC[NH+]2Cc2ccc(F)cc2)cc1,-1.4795230627059937
O=C(NCc1ccccc1)N1CCC=C(C2CCOCC2)C1,-1.5358021259307861
CC(C)Oc1ccc(NCc2ccccc2N)cc1,-1.6331208944320679
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.7286157011985779
O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)nc1,-0.9295280575752258
Cc1cc(NCc2cccc(Cl)c2)nc(-c2ccccc2)n1,-1.0748586654663086
Cc1nc(CCNC(=O)c2ccc3c(c2)OCCO3)cs1,-1.1351498365402222
Cc1cc(N)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.0049513578414917
c1ccc(-c2nc(-c3ccccc3CN3CCCCC3)no2)cc1,-1.1665713787078857
Cc1cccc(N2CCC(NCc3cccc(Cl)c3)CC2)c1,-1.1367472410202026
CCCCC1CCN(C(=O)NCC2CCOCC2)CC1,-1.597687840461731
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(O)cc1F,-1.0400943756103516
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2582262754440308
O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2s1,-0.8361446857452393
CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.7941628694534302
O=C(c1cccc(O)c1)N1CCN(Cc2ccccc2O)CC1,-1.2326794862747192
NS(=O)(=O)c1ccccc1CNCc1ccc(Cl)cc1,-1.3954013586044312
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9924482107162476
O=C(c1ccc(Br)cc1O)N1CCN(Cc2ccccc2)CC1,-1.055209994316101
C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC[NH+]1C,-1.3983299732208252
Fc1ccc(NCc2ccccc2N2CCOCC2)cc1Cl,-1.0465341806411743
C[C@@H]1CC(=O)N(c2ccc(C(=O)NC3CCCCC3)cc2)C1,-1.3167833089828491
Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.4510709047317505
Cn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1F,-0.6859553456306458
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9813003540039062
NS(=O)(=O)C1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.0711090564727783
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.530493974685669
Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1,-1.5001583099365234
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.114012598991394
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2266610860824585
Cc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.2454935312271118
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0128735303878784
O=C(C1CCCC1)N1CCc2nn(Cc3ccccc3)cc2C1,-1.010617733001709
Cc1ccc(C[NH+]2CC[C@@H](C(O)=NCc3ccc(F)cc3)C2)cc1,-1.1840895414352417
CC(C)(O)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5979998111724854
O=C(NCC[C@@H]1CCCCO1)N[C@H]1CC12CCC2,-1.6753941774368286
Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1,-1.2220205068588257
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.3769643306732178
C[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)CC[NH+]1C,-0.8486387133598328
CC(C)(CNC(=O)CCOc1ccc(Cl)cc1)C(=O)[O-],-1.5250333547592163
Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.203328013420105
Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1938101053237915
O=C(N[C@@H]1CCCC[NH+]1C1CCC1)[C@@H]1CCCC(F)(F)C1,-1.0163471698760986
C[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1,-1.1297754049301147
O=C(NCc1ccc(F)cc1)C(=O)c1cccc(F)c1,-1.3286819458007812
CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.204695224761963
Cc1noc(-c2cccc(NC(=O)[C@H]3CC[NH+](C)C3)c2)n1,-1.1257356405258179
O=C(c1ccc(F)cc1)N1CCN(C#CCc2ccc(F)cc2)CC1,-0.9033945202827454
C[C@@H]1CCC[C@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.2836531400680542
Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0247280597686768
Cc1cc(F)ncc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0010263919830322
CCc1ccc(C(=O)N[C@H]2CCOC3(CCC[NH2+]CC3)C2)cc1,-1.5007675886154175
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6723178625106812
Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4292657375335693
CCc1[nH]ncc1C(=O)NCc1ccc(C)cc1,-1.4924019575119019
COc1cccc(C(=O)NC[C@H]2CC[NH+](C)C2)c1,-1.609597086906433
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1,-0.9304159283638
CC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4746453762054443
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0438071489334106
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.381419062614441
COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,-1.0240623950958252
NS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.11883544921875
O=C(NCC(O)Cc1cccc(F)c1)c1ccc(O)cc1,-1.5008046627044678
Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9855779409408569
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4311188459396362
Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0265456438064575
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0077461004257202
COc1ccc(N(C)C(=O)CCc2nc3ccccc3[nH]2)cc1,-1.0378395318984985
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)ns1,-0.936490535736084
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.9067959189414978
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133443117141724
C[C@@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0126157999038696
Cc1cc(N)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1339085102081299
Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.040805459022522
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2740092277526855
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-1.0340381860733032
C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1,-1.2127530574798584
C1CC2C[NH+](C1)C2,-2.0672645568847656
Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2273573875427246
C[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCN2,-1.3348389863967896
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.1461917161941528
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.186363697052002
Cc1cc(I)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9201741814613342
Cc1ccc(CNC(=O)CCc2ccc(F)cc2)c(F)c1,-1.2192403078079224
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.4511597156524658
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.34818434715271
O=C(COc1ccccc1)NCc1ccccc1,-1.7473554611206055
NC(=O)c1ccc(CNCc2ccccc2)cc1,-1.6551847457885742
O=C(NC1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2622439861297607
Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9030505418777466
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2sccc2c1,-1.095471978187561
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1F,-0.9751022458076477
CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.7439679503440857
C[NH+]1CCN(Cc2noc(Cc3ccc(Cl)cc3F)n2)CC1,-0.7588703036308289
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9671478867530823
Cc1ccc(CN=C(O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1,-1.1130200624465942
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9663929343223572
Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3107982873916626
CCc1nn(C)cc1C(=O)NCC1CCCCC1,-1.4517472982406616
C[NH+]1CCN(c2ccc(C(=O)N3CCCC4(CCCCC4)C3)cc2)CC1,-1.02161705493927
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.2894189357757568
Cc1ccc(C[NH+]2CCCN(C(=O)c3occc3C)CC2)cc1,-1.2209705114364624
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0114266872406006
CCOc1ccc(N2CCCN(C(=O)CC)CC2)cc1,-1.5435744524002075
Nc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.1275800466537476
Cc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1O,-1.499311089515686
CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1,-1.0217199325561523
CC1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.3474599123001099
CC(C)(O)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5840702056884766
CCc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6073734760284424
CCC(CC)C(=O)N1CCN(C(=O)[C@@H]2CC3(CCCCC3)CO2)CC1,-1.118338942527771
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.085756540298462
Cc1nc(CNC(=O)Cc2ccc(Br)c(F)c2)cs1,-0.9007030725479126
O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1ccc(F)cc1,-1.416834831237793
Nc1ccc(C(=O)NC[C@@H]2Cc3ccc(F)cc3O2)cc1,-1.1220372915267944
Cc1nnc(NC(=O)C2(c3ccc(F)cc3)CCCC2)s1,-1.0100849866867065
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3915746212005615
Cc1ccc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c(C)c1,-0.8950040340423584
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)n1,-0.9124424457550049
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cn1,-1.2531214952468872
Clc1ccc(OCCCNCc2ccccc2)cc1,-1.6366865634918213
Clc1cc(NCc2ccc(N3CCCCC3)nc2)ccc1Br,-0.777513861656189
Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)no1,-1.3216668367385864
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6416882276535034
Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@H]2C)cc1,-1.4524562358856201
Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1,-0.9671182632446289
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9758269786834717
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCCC2=O)cc1,-1.1007401943206787
O=C(NCc1ccc(O)cc1)c1cc2ccc(Cl)cc2[nH]1,-1.2020485401153564
O=C(c1ccc(Nc2ccc(Br)cc2)nc1)N1CCCCCC1,-1.0704495906829834
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9209834933280945
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4252427816390991
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.5379685163497925
CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1208974123001099
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9880315661430359
Cc1cc(F)ccc1NC(=O)C(C)Oc1cccc(F)c1,-1.1472748517990112
Cc1ccc(N2CC[C@H](NC(=O)c3ccc(C)s3)C2)cc1,-1.114967703819275
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)n[nH]1,-1.2093791961669922
C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4806512594223022
[NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9662594199180603
Nc1ccc(NCc2ccc(Cl)cc2)c(-c2ccccc2)c1,-1.1179256439208984
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1604994535446167
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0356966257095337
Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9028798341751099
Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1492726802825928
O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.070954442024231
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.1130129098892212
C[NH+]1CC[C@@H](NC(=O)c2ccccc2O)[C@@H]([C@H]2CCCCO2)C1,-1.1511139869689941
Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9656997323036194
Fc1ccc(CN2CC[NH+](Cc3ccc(F)nc3)CC2)cc1,-1.1726130247116089
O=C(Cc1ccccc1Br)Nc1cccc(N2CCOCC2)c1,-1.2474638223648071
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5251694917678833
O=C(NCc1cccc(Cl)c1)C1CCC2(CCCO2)CC1,-1.5375638008117676
O=C(c1ccc(Cl)cc1)N1CCN(c2ncc3ccc(F)cc3n2)CC1,-0.30876901745796204
O=C(c1ccc(O)cc1)N1CCN(c2ccc3cc(O)ccc3n2)CC1,-0.6867820620536804
Cc1cc(NC(=O)c2ccccc2-c2ccccc2F)n(C)n1,-0.8665304780006409
C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1,-1.1183648109436035
COc1cccc(CNC(=O)c2ccc(N)s2)c1,-1.5610344409942627
Oc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.3097493648529053
Cc1csc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1,-0.9666275382041931
Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)C(C)(C)O)C2)cc1,-1.5265265703201294
CC1([NH3+])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4860186576843262
Cc1nc2cc(CNC(=O)[C@H]3CCC[NH+](C)C3)ccc2o1,-1.1100279092788696
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1,-1.0079666376113892
O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1c1ccccc1,-1.4012010097503662
Cc1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)O)CC2)cc1,-1.4902069568634033
CC(C)CC[C@@H](O)CNC(=O)c1ccccc1,-1.7114530801773071
c1ccc(C[NH+]2CCN(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2996995449066162
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0325735807418823
O=C(NCc1ccccc1)[C@H]1CCCCC[NH+]1C1CCOCC1,-1.4921387434005737
O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.875730037689209
Cc1ccc(CNC(=O)C2CC2C2CCOCC2)cc1C,-1.1746203899383545
Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1,-0.7846250534057617
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-0.8939934372901917
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1666438579559326
Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)n[nH]1,-1.2236711978912354
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.264685869216919
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(F)cc1,-1.5475881099700928
CCN1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C,-0.7400916218757629
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.1038897037506104
c1ccc(CNc2nc3ccccc3nc2-c2ccccc2)cc1,-1.064512848854065
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0218172073364258
O=C(Nc1ccc(-c2ccc(F)cc2F)cc1)c1ccccc1,-1.1489982604980469
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.013379454612732
Cc1cccc(C2CC(NC(=O)c3ccc(I)nc3)C2)c1,-1.0066909790039062
Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1806834936141968
C[NH+]1CCC[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1,-1.3690882921218872
OC(=NCCc1ccc(F)cc1)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9102595448493958
O=C(NC1CCCCC1)N1CCC([NH+]2CC[S+]([O-])CC2)CC1,-1.1983546018600464
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.177621841430664
CC(=O)N1CCC(NC(=O)c2ccc(Br)c(F)c2)CC1,-0.8749810457229614
Cc1ccc(-c2cnc(NC(=O)c3cc(C)on3)s2)cc1,-1.0056015253067017
CC(C)CC(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1,-1.4953577518463135
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9203430414199829
Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)ccc1F,-1.1466416120529175
O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.8634074926376343
O=C(c1ccc(Cl)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.2579097747802734
Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3360352516174316
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3606374263763428
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5289922952651978
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1996628046035767
O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1,-0.8882522583007812
Nc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.1837592124938965
O=C(c1ccccc1F)N1CCN(Cc2ccc(O)cc2)CC1,-1.1269861459732056
CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCO)cc1,-1.620728850364685
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.9210153222084045
O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1537747383117676
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.2192214727401733
CCCC(=O)N1CCCC1Cc1csc(-c2ccc(C)cc2)n1,-0.9461140632629395
O=C(Nc1ccccc1)C(O)=Nc1ccccc1-c1ccc(F)cc1,-1.090193510055542
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0589743852615356
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0404492616653442
O=C(NCc1ccc(Cl)cc1)N1CCC[C@]2(CCOC2)C1,-1.5019333362579346
Cc1cc(C)n(-c2ccc(CNC3CCN(C)CC3)cc2)n1,-1.1189184188842773
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0869925022125244
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0693269968032837
Cc1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)s2)s1,-0.7503775358200073
Cc1cc(Br)ccc1CN1CCN(C(=O)c2ccccc2)CC1,-0.9853557348251343
Cc1ncc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)s1,-0.8795432448387146
C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.0817084312438965
CC1(CNCC2(C3CCCC3)CC2)CCCO1,-1.7312105894088745
Cc1c(C(=O)N2CCC(C[NH3+])CC2)nnn1-c1cccc(Cl)c1,-0.5353173017501831
O=C(N[C@@H]1CCNC1=O)c1ccc(-c2ccc(F)cc2)cc1,-1.2092574834823608
O=C(Cc1ccc(Br)c(Cl)c1)NCC1(O)CCCC1,-1.3554260730743408
Cc1ccc(O)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2116575241088867
Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3434563875198364
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0420351028442383
O=C(Nc1ccc(-c2ccccc2)cc1)c1c(Cl)cccc1Cl,-0.8717250227928162
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2O)CC1,-1.0813113451004028
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2Br)C1)C1CCOCC1,-0.9827014803886414
O=C(NCc1ccc(F)cc1)C(=O)N1CCC(O)CC1,-1.435449242591858
Brc1ccc(CNc2ccc(-c3ccc(Br)cc3)cn2)cc1,-0.9428915977478027
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5071207284927368
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019417524337769
O=C1CN(C(=O)Nc2cccc(-c3ccccc3)c2)CCN1,-1.4092512130737305
CC(N)Cc1ccc(CNCc2ccccc2)cc1,-1.6291908025741577
Cc1cccc2nc(CC(=O)OCc3ccccc3)sc12,-1.1934306621551514
Cc1occc1C(=O)N1CC[NH+](Cc2ccccc2F)[C@H](C)C1,-1.0033124685287476
O=C(NCC1CCC(=NC2CCCCC2)CC1)C1CCCC1,-1.2984859943389893
Cc1ccccc1NC(=O)N1CCN(c2cccc(Br)c2)CC1,-0.9563570022583008
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.287434697151184
COc1cccc(CNC(=O)c2ccc(Br)o2)c1,-1.5313751697540283
C[C@H](CNC(=O)Cc1ccc(Cl)cc1)C[NH+]1CCOCC1,-1.5099092721939087
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.690804123878479
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1315691471099854
O=C(Nc1cccc(F)c1)Nc1nc2ccc(Cl)cc2s1,-0.79921954870224
Cc1ccc(C[C@H]2CCN(Cc3ccccc3)C2=O)cc1,-1.5097538232803345
O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6089918613433838
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1874332427978516
O=C(NC1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8957889080047607
Cc1nnc(NC(=O)[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)s1,-0.7933380603790283
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212520718574524
Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1349365711212158
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382948160171509
O=C(CNC1CC1C1CC1)OCc1ccccc1,-1.6411341428756714
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9584935903549194
COC(=O)c1ccc(NC(=O)[C@H]2CCCNC2)cc1,-1.57808256149292
CCOc1ccc(NC(=O)c2cc(Br)on2)cc1,-1.55336594581604
O=C([C@@H]1CCCSCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-1.0448766946792603
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.4830818176269531
Cc1nc(-c2ccc(CNC(=O)CCC(C)C)cc2)n[nH]1,-1.1037564277648926
CN1CC[C@@H](CCC(=O)NCc2ccc(Br)cc2)C1=O,-1.33597993850708
O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(F)cc1F,-1.2707207202911377
Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n[nH]1,-1.0018991231918335
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-1.0901141166687012
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9337778091430664
C[C@H](NC(=O)[C@@H](C)c1ccc(F)cc1)c1cccc(F)c1,-1.0331789255142212
O=C(c1ccc(F)cc1F)N1CC[NH2+]C[C@@H]1Cc1ccccc1,-0.9443001747131348
CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.555180549621582
Cc1ccc(Cl)c(CN2CCN(Cc3ccccc3)CC2)c1,-1.2304599285125732
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419111490249634
O=C1NCCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2716370820999146
CN1CCCCC1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9487947225570679
O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9645106196403503
O=C(Nc1ccc(Cl)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8979185819625854
C[C@@H]1CCC[NH+](C[C@H](C)C(=O)NCc2ccc(F)cc2)C1,-1.3254953622817993
CC1(C)C[NH+](CC(=O)NCc2ccc(Br)s2)CCO1,-1.4803873300552368
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653550386428833
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cl,-1.2696685791015625
C[NH+]1CCC(NC(=O)Cc2ccc(N3CCOCC3)cc2)CC1,-1.452528715133667
CC(C)(C(=O)NC[C@@H]1CCCCO1)c1c(Cl)cccc1Cl,-0.9300069212913513
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595049619674683
c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1cc3ccccc3o1)O2,-1.444016695022583
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6723650693893433
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382877826690674
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1,-1.123011589050293
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0876587629318237
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.2570278644561768
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9575070142745972
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0098700523376465
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.050742506980896
O=C(Nc1ccc(Cl)nc1)N1CCCN(c2ccccc2)CC1,-1.1216377019882202
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.012634038925171
CC[NH+]1CCN(C(=O)NCC2CCC=CCC2)CC1,-1.6687086820602417
CC(=O)c1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1,-1.064431071281433
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.194425106048584
CC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4766583442687988
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1760165691375732
CC(C)(C)C(=O)c1ccccc1NC(=O)c1cccs1,-1.2735792398452759
Cc1ccc(C)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.1196789741516113
CN(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1016360521316528
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1,-1.5301284790039062
Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.2093976736068726
CN1CCN(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.090425968170166
CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1,-1.1433793306350708
CC1CC[NH+](CC2CCN(C(=O)c3ccccc3N)CC2)CC1,-1.1268118619918823
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2845886945724487
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6720032691955566
COC(=O)c1cccc(C(=O)NC2CCCCC2)c1,-1.5902882814407349
O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.6118596196174622
CC1(C)C[NH+](Cc2noc(Cc3ccccc3)n2)CCCO1,-1.5270555019378662
O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ccccc2Cl)C1,-0.8185954689979553
Nc1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-1.0896763801574707
CC[C@@H](C(=O)N1CCCOC2(CC[NH+](C)CC2)C1)c1ccc(OC)cc1,-1.1700974702835083
Cc1cc(O)ccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1,-1.1454219818115234
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.3947231769561768
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CC[NH+](C)CC1,-1.5501675605773926
C[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1ccccc1,-1.5500404834747314
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258817195892334
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0372542142868042
Cc1ccc(C(=O)N[C@H]2C[C@@H](c3ccc(Br)cc3)C2)cc1,-1.2086431980133057
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9636362195014954
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9579727053642273
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3399080038070679
Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)c1,-1.4390056133270264
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1131287813186646
[NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.033273458480835
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1O,-0.995790421962738
C[C@@H]1CCCCN1c1ccc(C(=O)Nc2ccc(O)cc2)cc1,-1.156927466392517
COC1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0522642135620117
c1ccc(C[NH+]2CCN(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.2999258041381836
O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2732712030410767
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C)cc2)cc1,-1.1487077474594116
Cc1cc(F)ccc1NC(=O)N1CCC(N2CCOCC2)CC1,-1.0144339799880981
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1344596147537231
Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1,-1.1098370552062988
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.23356032371521
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1315666437149048
Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.3032863140106201
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(I)cc1,-1.123388648033142
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.440016508102417
NC(=O)c1ccc(N2CCCCC2)nc1,-1.668245792388916
O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-1.0820919275283813
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0019177198410034
O=C(c1ccccc1Cl)N1CCC(Cc2ccc(F)cc2)CC1,-0.9243403077125549
C[NH+]1CCC[C@H]1NC(=O)NCCc1ccccc1,-1.672636866569519
O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.1805918216705322
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903915286064148
CC(=O)Nc1ccc(Nc2cccc3nc(C)[nH]c23)cc1,-1.0076372623443604
COc1ccccc1CNC(=O)N1CCC(C)C1,-1.6061131954193115
C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2)CCN1c1ccccc1,-1.0214357376098633
Clc1ccc(NCC2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0138726234436035
O=C(NC[C@@H]1CCCCO1)Nc1ccc(Br)nc1,-1.5159071683883667
CC(C)c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1,-1.1064342260360718
Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[C@H]3O)CC2)cc1,-1.1216919422149658
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.030847191810608
O=C(NCCC(=O)N1CCc2ccccc21)c1ccccc1,-1.334270715713501
Fc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1F,-1.1358397006988525
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)nc1,-0.94438636302948
O=C(CCC1CCOCC1)NC1CCN(c2ccccc2)CC1,-1.5039949417114258
C[C@H]1CN(c2ccc(NC(=O)c3ccccc3)cc2)C(=O)O1,-1.4205836057662964
Fc1ccc(OCCCOCc2ccccc2)cc1,-1.7333182096481323
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3217357397079468
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)nc1,-0.9311385154724121
Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cn1,-1.2579869031906128
O=C(c1ccc(Cl)cc1)N1CCCC1C(O)=NCc1ccc(F)cc1,-0.9094822406768799
O=C(Nc1ccc2cn[nH]c2c1)N1CCC[C@H]1c1ccccc1,-1.2045942544937134
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1,-1.0048043727874756
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.7276401519775391
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8331776261329651
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.34551021456718445
Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(F)c1,-1.0988879203796387
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8483978509902954
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.08662748336792
O=C(NCc1ccc2c(c1)OCCO2)c1cccc(O)c1,-1.541590690612793
CC(C)c1ccc(C(=O)NC[C@H]2CCCS2)cc1,-1.4106664657592773
Clc1ccc(CNCCOc2ccccc2)c(Cl)c1,-1.5106090307235718
O=C(NCc1ccc(C2CC2)cc1)[C@@H]1CC[NH2+]C1,-1.5979695320129395
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6701080799102783
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1092383861541748
Cn1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.080696702003479
O=C(N[C@@H]1CCCC[C@@H]1F)c1ccn(-c2ccc(Cl)cc2Cl)n1,-0.3925352692604065
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579985618591309
CC(=O)N1CCC[C@H](NC(=O)c2oc3ccccc3c2C)C1,-0.9151663780212402
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.09709894657135
O=C(Nc1ccccc1)N1CCN(c2ccccc2)C(=O)C1,-1.4682475328445435
CC1Cc2cc(CNCc3ccc(Cl)cc3)ccc2O1,-1.4016460180282593
O=C1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1,-1.4060486555099487
Fc1ccc(COC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1793115139007568
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4645953178405762
O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCOC2(CCCCC2)C1,-1.1812952756881714
Cc1ccc([C@H]([NH3+])CC(=O)NCc2ccc(Cl)cc2)cc1,-1.2894939184188843
O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cccc(F)c1,-0.9243487119674683
C[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3591084480285645
CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5803102254867554
Cc1ccc(C2(NC(=O)c3ccc(N)cc3)CCC2)cc1,-1.3386904001235962
Cc1ccc(CC(=O)NCCc2ccc(F)cc2F)cc1,-1.2162768840789795
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706614255905151
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000458240509033
COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0566412210464478
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9638973474502563
CC(C)(CO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5639631748199463
CCC(CC)C(=O)N1CCC(NC(=O)[C@@H]2CCCCO2)CC1,-1.4814974069595337
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2020235061645508
O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.039629578590393
O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]ccc2c1,-0.9826854467391968
Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(O)c1,-1.1479896306991577
O=C(c1c[nH]c2ccccc12)N1CCC(Cc2cccs2)CC1,-1.0270389318466187
CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1,-1.1422169208526611
Cc1cc(NC(=O)c2ccco2)n(-c2cccc(F)c2)n1,-1.140525221824646
Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(F)c1,-1.0247479677200317
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)n1,-1.013346552848816
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6540238857269287
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617189168930054
Cc1cc(C)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.1623179912567139
C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1,-1.2208961248397827
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(I)cc1F,-0.7917739748954773
O=C1Cc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2N1,-1.5544499158859253
CC1CN(C)CCN1C(=O)OC(C)(C)C,-1.6715941429138184
Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)on1,-0.9474459290504456
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9024588465690613
CCC(C)(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5344946384429932
O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1,-0.8518784046173096
Nc1cc(NCc2cccc(F)c2)nc(-c2ccccc2)n1,-0.9734600782394409
CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1,-1.1500210762023926
Fc1cc(N2CCC(NCc3ccccc3)CC2)ccc1Cl,-1.0237303972244263
c1ccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)cc1,-1.2955329418182373
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1,-1.0022557973861694
CC(C)(C)C(=O)N1CCC(NCc2cccc(Cl)c2)CC1,-1.077803611755371
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1130117177963257
Cc1ccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1,-0.9008612632751465
Cn1nc(C(=O)NCc2ccc(N)cc2)c2ccccc21,-0.9843471050262451
O=C(CCC(=O)c1ccccc1)NCCc1cccc(Cl)c1,-1.4892492294311523
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9487006068229675
CC1CCCN1C(=O)CN1CCN(CC2CCCC2)CC1,-1.360493779182434
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8565259575843811
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1,-0.9867009520530701
Cc1ccc(OC2CCN(C(=O)c3ccccn3)CC2)c(C)c1,-1.1120615005493164
Cc1ccccc1NC(=O)N1CCOC[C@@H]1c1ccc(F)cc1,-1.1318817138671875
CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1178637742996216
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080665826797485
Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5305330753326416
Cc1ccc(C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1609370708465576
C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1,-1.4666953086853027
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1404507160186768
Cc1ccc(N)cc1N1CCC(NC(=O)c2ccccc2)CC1,-1.0584933757781982
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9004249572753906
COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0635863542556763
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1209532022476196
C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3535487651824951
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9097611904144287
Clc1ccc(NCc2cccc(-c3ccc(Cl)cc3)n2)cc1,-0.9441487789154053
CC(C)C(=O)N1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1,-0.8261926174163818
C[C@H]1CN(C(=O)c2ccccc2F)CC[NH+]1Cc1ccccc1,-1.0809327363967896
Cc1ncccc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1,-1.0098621845245361
Cc1ccc(NC(=O)C(C)S(=O)(=O)Cc2ccccc2)cc1,-1.4959819316864014
CC(=O)NC1CCC(NCc2ccccc2)CC1,-1.6572413444519043
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.007785439491272
Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1,-1.3077913522720337
O=C(N[C@@H]1CC12CCOCC2)N1CCN(c2ccccc2)CC1,-1.4507404565811157
O=C(NC1CCOCC1)N1CCN(c2ccc(Br)cc2F)CC1,-0.8632620573043823
O=C(NCc1cccc(O)c1)c1ccc2[nH]c(O)nc2c1,-1.1706504821777344
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)cn1,-1.0497719049453735
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0848976373672485
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,-1.0673922300338745
Cc1ccc(F)c(NC(=O)N2CCO[C@H](c3ccccc3)C2)c1,-1.1844077110290527
O=C(Nc1ccc(Cl)nc1)N[C@H]1CC2(CCOCC2)CO1,-1.5154798030853271
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(Br)cc1,-0.9281609654426575
CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1,-1.0694715976715088
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5156911611557007
CC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1,-1.0665782690048218
[O-]c1cccc(CNc2ccc(F)cc2-c2ccccc2)c1,-1.245217204093933
Nc1ccc(CNC(=O)c2cc3cc(F)ccc3o2)cc1,-1.131502389907837
O=C(NC[C@@H](O)c1cc(F)cc(Br)c1)c1ccc(Cl)cc1,-0.8927659392356873
O=C(Nc1ccc(Cl)cc1)N1CC(c2ccc(F)cc2)C1,-1.063105583190918
Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(O)cc2)cn1,-1.2186185121536255
Cc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1,-1.4765454530715942
Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1F,-1.170609951019287
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9709518551826477
Fc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1,-1.2591015100479126
O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.540405511856079
O=C1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCN1,-1.343729853630066
Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1,-1.0677629709243774
CC(CCc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1,-1.195548176765442
CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1,-1.5391651391983032
Cc1cc(C(=O)NCc2ccc3nc[nH]c3c2)ccc1F,-0.957652747631073
O=C(CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1,-1.2456563711166382
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625505566596985
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1538851261138916
Cc1ccc(NC(=O)N2CCN(c3ccccc3Br)CC2)cc1,-0.974079430103302
O=C(c1cccnc1O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.9548290371894836
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1411826610565186
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2087299823760986
Cc1sc2ccccc2c1CC(=O)NCc1ccccc1,-1.1681256294250488
O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9388905167579651
Cc1ccc(C)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.1027562618255615
C[C@@H]1CN(c2ccc(Cl)cc2)CC[C@@H]1NC(=O)c1ccccc1,-0.9739843010902405
Cn1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)cn1,-1.069106936454773
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2929826974868774
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3F)C2)cc1,-1.2619071006774902
Cc1c(CNC(=O)C[NH+]2CCCCC2)[nH]c2ccccc12,-1.3110363483428955
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.890423595905304
CC1CC(NCC2CCCCC2)CCN1CC1CC1,-1.4363951683044434
C[C@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.020731806755066
O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1,-1.490020990371704
Cc1ccc(I)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-0.9134491086006165
CC1CC[NH+](CCCNC(=O)c2ccc(F)c(Cl)c2)CC1,-0.9729288220405579
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9460005164146423
CC(C)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1,-1.3911478519439697
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(CC)cc1,-1.4879913330078125
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9261713624000549
O=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1,-1.2410017251968384
Nc1ccc(C(O)=NC(=O)c2ccc(Oc3ccccc3)cc2)cc1,-1.2092986106872559
Cc1ccc(F)c(NC(=O)c2ccc(N3CCOCC3)nc2)c1,-1.006996750831604
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9616844654083252
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835811853408813
Cc1nc(CNC(=O)N(C)C2CCCCC2)cs1,-1.239131212234497
Cc1ccc(CNc2ccc(N3CCC(O)CC3)cc2)cc1,-1.5253188610076904
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2884902954101562
c1ccc(COc2ccccc2)cc1,-1.875213861465454
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9263054728507996
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0853677988052368
O=C(c1cc(F)c(F)cc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.3768642842769623
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0228838920593262
Cc1c(Cl)cccc1NC(=O)c1ccc(C2CCCCC2)cc1,-0.9460287690162659
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.155264973640442
O=C(Nc1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1,-0.9711574912071228
Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2o1,-1.1116881370544434
[NH3+]CCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-1.2566949129104614
C[NH+]1CCN(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.2355138063430786
Brc1ccc(CNc2ccc(N3CCOCC3)c(Br)c2)cc1,-1.0076026916503906
O=C(NC1CCN(c2ccc(F)cc2)CC1)N1CCCCCC1,-1.1849204301834106
CCCC(CC)NC(=O)c1ccc(N2CCN(C)C2=O)cc1,-1.2255967855453491
Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1844251155853271
CN(C[C@H](O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)nc1,-0.9333534836769104
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Br,-0.7776409983634949
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2,-1.1391700506210327
c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.2768676280975342
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307660102844238
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898172616958618
O=C(Oc1ccc(Cl)cc1-c1ccccc1)c1ccccc1O,-1.0683361291885376
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273586511611938
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.00075101852417
Cc1cc(O)ccc1C(=O)Nc1ccccc1,-1.6384971141815186
Cc1ccc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)s1,-1.0428446531295776
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCNC(=O)C1,-1.33240807056427
Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.14996337890625
O=C(CCCc1cccc(Br)c1)NCc1ccc(F)cn1,-1.2575092315673828
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.964137852191925
Cc1ccc(OCc2ccccc2-c2ccccc2)cc1F,-1.2526146173477173
O=C(c1ccc(CO)cc1)N1CCN(c2ccc(F)cc2)CC1,-1.0784262418746948
Cc1ccccc1C(=O)NC1C[NH+](CC2CC2)C1,-1.6331863403320312
O=C(O)c1ccc(CSCc2ccccc2)cc1,-1.640638828277588
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5008187294006348
Cc1ccc(N2CCC(NC(=O)c3cccnc3N)CC2)cc1,-1.072892427444458
CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1638844013214111
Cc1cc(Br)ccc1NC(=O)c1ccccc1-c1ccccc1,-0.9594795107841492
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1,-1.5154398679733276
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.103914499282837
Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.2337911128997803
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9761961102485657
COc1cccc(C(=O)NCc2ccc(Br)s2)c1,-1.4258149862289429
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2756686210632324
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.3084402084350586
O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.1792694330215454
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.520820140838623
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617118835449219
O=C(NCc1cc(O)ccc1F)C1CC2(CCCC2)CO1,-1.4149034023284912
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.088455319404602
Cc1ccc(OCc2ccccc2)c(-c2ccc(O)cc2)c1,-1.420487403869629
C[C@H]1CCC[NH+](Cc2ccc(NC(=O)C(N)=O)cc2)C1,-1.485225796699524
O=C(NCc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1,-0.9945490956306458
CC(C)(O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-1.186977505683899
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020385980606079
COc1ccc(CNC(=O)c2ccc(N)s2)cc1,-1.5588301420211792
Cc1cc(Cl)ccc1CNC(=O)C[NH+]1CCC(F)(F)CC1,-1.0998663902282715
O=C(Nc1ccccc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0639641284942627
Cn1ccc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n1,-0.9470242857933044
c1ccc(CN2CCN(c3nc(-c4ccccc4)no3)CC2)cc1,-1.4222187995910645
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1684983968734741
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368140935897827
Clc1cccc(C[NH2+][C@@H]2CCOC[C@H]2c2ccc(Br)cc2)c1,-1.0639299154281616
Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0640151500701904
CC(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@H](C)C2)C1,-1.1111398935317993
C[NH+]1CCN(c2ccc(Br)cn2)CC1,-1.53802490234375
C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8762971758842468
O=C(C1CCCCCC1)N1CCC(Cc2ccc(Cl)cc2)CC1,-1.1214531660079956
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4810020923614502
O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.291096806526184
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.382568359375
O=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1ccc(F)cc1,-0.9729355573654175
O=C(C1CC(c2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1,-1.2929505109786987
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2096939086914062
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2492976188659668
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3558067083358765
O=C(CC[NH+]1CC2(CC[NH2+]CC2)C1)NCc1ccccc1,-1.625291347503662
O=C(Nc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1,-0.8000399470329285
O=C(Nc1cccc(Cl)c1)c1ccc(N2CCNC2=O)cc1,-1.065061330795288
O=C(CCc1nn[n-]n1)Nc1cccc(Cl)c1,-1.4111977815628052
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.785444974899292
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898237586021423
COc1ccc(C(=O)N2CCC[C@H](c3cccc(O)c3)C2)cc1,-1.2815158367156982
Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.2243915796279907
O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CCOCC2)CC1,-0.9667559862136841
C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5523064136505127
CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.295666217803955
Cc1nn(-c2ccc(F)cc2)cc1C(=O)N1CCC(C[NH3+])CC1,-0.6165089011192322
Cc1noc2c1CC[C@@H](CNC(=O)c1ccc(F)cn1)C2,-0.8221179246902466
Clc1ccc(-c2cc(Cl)nc(OCc3ccccc3)n2)cc1,-0.8862581253051758
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1,-0.9720897674560547
O=C(NCc1nc2ccc([O-])cc2s1)c1ccc(Br)cc1,-0.7513378262519836
Cc1ccc(CC(=O)NC[C@@H](O)c2ccc(Br)cc2)cc1,-1.3667457103729248
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4310346841812134
Cc1cc(NC(=O)c2ccn(C)n2)n(C(C)(C)C)n1,-0.9760043621063232
Cc1ncsc1C(=O)N[C@H]1CCN(c2ccccc2)CC1=O,-0.9589604139328003
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Br)cc2[nH]1,-0.8695968985557556
O=C1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1,-1.1709787845611572
O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1198970079421997
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254899978637695
Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2476917505264282
O=C(N[C@@H]1CCC12CCCC2)c1ccc(-c2ccccc2)cc1,-1.3445359468460083
Cc1ccc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1,-0.4300512373447418
CC(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.5784785747528076
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0576692819595337
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Cl)cc2)CC1,-0.9777016639709473
Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.9947879314422607
O=C(Nc1ccc(F)c(F)c1)c1csc(-c2ccco2)n1,-0.9233992099761963
CN(CC(F)(F)F)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.6445436477661133
CCCCC(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1,-1.507698893547058
C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6412816047668457
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2607920169830322
Cc1noc(C)c1C(=O)NC1CCN(c2ccccc2Cl)CC1,-0.693618893623352
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255482196807861
C[C@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(F)cc1,-1.3588595390319824
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.172427773475647
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9307523965835571
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2958333492279053
O=C(c1ccco1)N1CC[C@@](O)(Cc2ccc(F)cc2)C1,-1.5254555940628052
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1976484060287476
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.13075590133667
CC[NH+]1CCN(c2ccccc2C(=O)N2CC[NH+](C)CC2)CC1,-1.0459494590759277
c1ccc(C[NH+]2CCC(c3nnc(-c4ccccc4)s3)CC2)cc1,-1.0286839008331299
O=C(CCc1ccc(F)c(F)c1)N1CC[C@H](c2ccc(F)cc2)C1,-0.7619898319244385
CCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)c(C)c2)CC1,-0.771055281162262
O=C(N[C@H]1CCCO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1,-1.0803592205047607
Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0261237621307373
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208348035812378
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46107804775238037
Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccs2)n1,-0.936086118221283
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898315072059631
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851256370544434
O=C(CCc1ccc(Cl)cc1)N1CC[C@](F)(c2ccc(F)cc2)C1,-0.8988967537879944
Cc1ccc(N)cc1NC(=O)c1ccc(N2CCCCC2)nc1,-1.0332722663879395
Cc1nnc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)s1,-0.7898808717727661
C[C@H]1COCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1,-1.486528754234314
C[C@@H]1CN(c2ccc(COc3ccccc3)cc2)CC[NH+]1C,-1.3919469118118286
O=C(C[NH+]1CCN(c2ccccc2Br)CC1)Nc1ccccc1,-1.2564785480499268
C[C@H]1CCN(C(=O)CNC(=O)Cc2ccccc2F)C1,-1.3727070093154907
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1,-0.9974198937416077
CN1CCN(c2cccc(C(=O)Oc3ccccc3)c2)C1=O,-1.3041634559631348
Cc1nc2cc(CNC(=O)c3ccc(F)cn3)ccc2o1,-0.9835532307624817
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9180722236633301
Nc1ccc(O)cc1CN1CCN(Cc2ccccc2)CC1,-1.4074710607528687
C[NH+]1C[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cccs2)C1,-1.1919901371002197
c1ccc(-c2ccccc2)cc1,-1.911350965499878
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1282446384429932
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1694456338882446
O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2407985925674438
CC(C)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.0307753086090088
Nc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCCO3)CC2)c(Cl)c1,-0.8909153938293457
C[NH+]1CCC(C(=O)NCc2ccc3c(c2)CCCC3)CC1,-1.1993967294692993
O=C(O)COc1ccc(C(=O)N2CCCC(O)C2)cc1,-1.5573567152023315
O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.8968809843063354
C[NH+]1CCC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1,-1.2527968883514404
O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Br)c1,-1.2065821886062622
O=C(Cc1cccnc1)N1CCN(CCc2ccccc2)CC1,-1.5058116912841797
O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CCCCC2)CC1,-0.9580516815185547
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.070784330368042
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.404200792312622
Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2[nH]1,-0.9544885754585266
Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)on2)cc1,-1.2111456394195557
O=C(Cc1ccc(O)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.4858449697494507
Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cnn(C)c2)cc1,-1.260248064994812
Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)cc1,-1.403250813484192
Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.1073328256607056
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3726255893707275
O=C(N[C@@H]1C[C@H]1C1CCOCC1)N1CCC[C@@H]1C1CCOCC1,-1.2228713035583496
O=C(CC(O)=NC(O)=NCc1ccccc1)Nc1ccc(Br)cc1,-1.3763999938964844
CC(C)Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1,-1.1154632568359375
Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)c1,-1.2102426290512085
O=C(c1ncccc1Br)N1CCCC[C@H]1Cc1ccc(F)cc1,-0.8727816939353943
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9542261958122253
COc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9926091432571411
Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)no1,-1.1158959865570068
CCCCC(O)=NC1(C)CCCc2cc(OCc3ccccc3)ccc21,-1.223960041999817
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Br,-1.073390245437622
CC1(C)C[NH+](Cc2ccccc2)CCN1Cc1ccccc1,-1.5782244205474854
CCc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1,-1.6191216707229614
COc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1,-1.2029173374176025
CCc1ccc(CNC(=O)[C@H]2CC23CCC3)cc1,-1.6117517948150635
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9315979480743408
CC(=O)N1CCC[C@H](NC(=O)c2cnc3ccccc3c2)C1,-1.0301032066345215
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0357190370559692
Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9656197428703308
COC1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)CC1,-0.6371918320655823
CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4571927785873413
Cc1ccc(NCc2ccc(Br)cc2)cc1-c1ccccc1,-1.1516361236572266
C[NH+]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1,-1.0657073259353638
O=C(Nc1cccc(F)c1)N1CCCN(c2ccccc2)CC1,-1.2905608415603638
CC(C)(CNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1,-1.2134954929351807
COc1ccc(N2CCN(CC(O)=Nc3ccc(C)c(C)c3)CC2)cc1,-0.9223509430885315
O=C(Nc1ccccc1Br)N1CCN(c2cccc(F)c2)CC1,-0.8922280669212341
Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.047963261604309
CC(=O)Oc1ccc(OCC2CCCCC2)cc1,-1.6954960823059082
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2852346897125244
O=C(Nc1csc(-c2ccc(F)cc2)n1)C1(O)CCCC1,-1.2097853422164917
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9376021027565002
CCc1ccc(CNc2ccc(OC)c(Cl)c2)cc1,-1.3743144273757935
Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0248198509216309
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172347187995911
Cc1ccc(CCCC(=O)NC[C@H]2CCC[NH+](C)C2)cc1,-1.5479331016540527
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1362353563308716
CC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1,-1.261138916015625
CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9946882128715515
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0698853731155396
Cc1ccccc1NC(=O)C1CCN(c2cccc(F)c2)CC1,-1.0192296504974365
Cc1cc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)no1,-1.007681131362915
O=C(COc1ccccc1)Nc1nc2ccc(Cl)cc2s1,-1.0932053327560425
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.075278878211975
O=C(CC[NH+]1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5191360712051392
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4164751768112183
Cc1cc([NH3+])ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0871756076812744
Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.3994606733322144
Cc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1,-1.3458845615386963
Cc1cccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)c1,-0.9640302658081055
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1510322093963623
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.272731900215149
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044049263000488
Cc1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.9375948309898376
Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c(C)c1,-1.0413929224014282
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565134286880493
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cn1,-1.2355774641036987
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135050773620605
Cc1ccccc1CNC(=O)[C@@H]1CCOC2(CCCCCC2)C1,-1.5427660942077637
Cn1ccc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)n1,-1.3595898151397705
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.968907356262207
Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.3497556447982788
C[C@H]1C[NH+](C)CCN1C(=O)NC1CCC(c2ccccc2)CC1,-1.0732171535491943
c1ccc(-c2nc(CNc3ccc4c(c3)OCO4)cs2)cc1,-1.185681700706482
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F,-0.8662586808204651
Cc1ccc(C(=O)NCc2ccc3[nH]c(C)nc3c2)cc1,-1.026063084602356
CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1,-1.5205423831939697
O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(F)cc2)CC1,-1.1777161359786987
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826602101325989
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45805665850639343
Cc1ccc(C(=O)NCC(O)c2ccc(F)c(F)c2)cn1,-0.9875918626785278
Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2[nH]1,-0.967094361782074
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(O)cc1,-1.2125320434570312
Cc1cc(NC(=O)c2ccc(N)cc2)n(C2CCCC2)n1,-1.0486582517623901
O=C(NCCc1cccc(Br)c1)c1cc(F)c(O)cc1F,-0.7891163229942322
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3051879405975342
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2357637882232666
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1,-0.8519411087036133
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4276894330978394
O=C(Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1,-1.3286936283111572
O=CNc1ccc(-c2nn[n-]n2)cc1,-1.7586287260055542
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8980595469474792
Cc1ccc(C(=O)N2CCC(Oc3ccccc3C)CC2)cn1,-1.1077769994735718
COc1ccc(Cc2nc(-c3ccc(C)c(F)c3)no2)cc1,-1.0027440786361694
Cc1ccc(-c2nn(C)cc2NC(=O)C2CC=CC2)s1,-1.0502737760543823
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375929117202759
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.1806033849716187
Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,-1.1591852903366089
O=C(c1cc(O)ccc1O)N1CCN(Cc2ccccc2)CC1,-1.2353533506393433
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0151643753051758
Cc1ccc(CNc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.3239589929580688
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(O)cc2)cc1,-1.577309489250183
CC(C)(C)c1cccc(NC(=O)N2CCN=C(O)C2)c1,-1.2467176914215088
Cc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccccc1,-1.0906411409378052
Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2ccn(C)n2)cc1,-1.065083384513855
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1602094173431396
O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2o1,-1.2251263856887817
O=C(NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1F,-0.9540770649909973
O=C(Nc1ccc(Cl)cc1F)c1ccccc1N1CCOCC1,-0.9238436222076416
CC[C@@H](C)CNC(=O)c1cc(C)nn1-c1ccc(Br)cc1,-0.8598969578742981
Cc1ccc2cc(C(=O)NCC3CC[NH+](C)CC3)[nH]c2c1,-1.0940234661102295
C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1,-1.0461232662200928
O=C(NC1CC(F)(F)C1)N1CCC[C@@H](c2ccccc2)C1,-1.1919981241226196
O=C(CCCCc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.8949108719825745
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9242693185806274
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.519102692604065
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599878787994385
CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1,-1.0506722927093506
CCc1ccc(N2CCN(C(=O)c3ccc(N)cn3)CC2)cc1,-0.9522814154624939
CC(C)[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccccc1,-1.5627325773239136
Cc1ccccc1CNc1ccc(OC(C)C)cc1,-1.5998218059539795
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1053352355957031
O=C(N[C@H]1CCCC[C@@H]1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8618960976600647
Oc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3093481063842773
CC(C)(CO)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.2661254405975342
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0921987295150757
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.1600172519683838
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863785862922668
O=C(NCc1ccccc1)Nc1ccc(Cl)cn1,-1.5909732580184937
[NH3+]c1ccc(C[NH+]2CCC[C@H](Cc3ccc(Br)cc3)C2)cc1,-1.2589432001113892
O=C1CCC(Cc2ccccc2)N1Cc1ccc(Cl)cc1,-1.3385741710662842
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5793981552124023
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.2827330827713013
Cc1nnc(NC(=O)NC[C@H](C)[NH+]2CCCC2)s1,-1.1784236431121826
Cc1ccc2c(c1)N(C(=O)[C@H](C)Oc1ccc(C)c(C)c1)CCC2,-0.7264734506607056
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)nc1,-0.9372636675834656
Cc1ccc(CNC(=O)N2CCC3(CCNC3)C2)c(C)c1,-1.2832129001617432
O=C1NCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-0.9996054768562317
O=C1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5258146524429321
CCN1CCN(C(=O)Nc2ccc(N(C)C)cc2)CC1,-1.3414617776870728
CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1,-1.5662685632705688
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.256510853767395
[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.919908881187439
CCOc1ccc(C(=O)N(C)CC(C)(C)F)cc1,-1.546820878982544
Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1806882619857788
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6901652812957764
O=C(NCc1ccccc1)OCc1ccccc1,-1.7495650053024292
Cc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1,-1.2915288209915161
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023393869400024
CC1(O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5511531829833984
C1CCC(CC2CC[NH2+]CC2)CC1,-1.8493796586990356
O=C(CCc1ccccn1)NC1CCN(c2ccccc2)CC1,-1.4750488996505737
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.056157112121582
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908040046691895
O=C(Nc1ccc(F)c(F)c1)C(=O)NC1CCCCC1,-1.305318832397461
CC1=C(C)CN(c2ccc(OCc3ccccc3)cc2)C1,-1.5435864925384521
CCCCCCNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.390444040298462
Clc1cc(NCc2ccc(Br)cc2)ccc1N1CCOCC1,-1.0287227630615234
Cc1ccc(NCc2cccc(N3CCN(C)CC3)c2)cc1,-1.3502464294433594
O=C(NCc1ccccc1)N[C@@H]1CC12CCCC2,-1.6822706460952759
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0031660795211792
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1664305925369263
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.9862313270568848
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9688895344734192
Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0588364601135254
Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)o1,-1.32379150390625
O=C(Nc1ccc(O)cc1O)N1CCCC[C@@H]1C1CCCCC1,-1.092240333557129
CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.8357548713684082
Cc1nocc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1Cl,-0.6163985729217529
O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9192101359367371
Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3040202856063843
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.528028964996338
O=C(c1ccccc1)N1CCC(Oc2ccc(F)cc2O)CC1,-1.191698431968689
Cc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1,-1.1399775743484497
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0361520051956177
C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.352466344833374
CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1288459300994873
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3570044040679932
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4335970878601074
C[NH+]1CCC[C@@H](NC(=O)C2(c3ccccc3Cl)CCCCC2)C1,-1.0216983556747437
COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1,-1.3375376462936401
Clc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0116475820541382
O=C(c1ccc(F)cc1)N1CCC([NH+]2CCC3(CC=CC3)CC2)CC1,-1.0331695079803467
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.052790641784668
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8983513116836548
Cc1ccccc1NC(=O)N1CCC(N2CCC(O)CC2)CC1,-1.124462604522705
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.210055947303772
O=C1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.4781744480133057
C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.0337077379226685
CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2Br)cc1,-0.7836724519729614
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3802891969680786
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.116591215133667
O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2s1,-0.860089898109436
C[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1,-0.9172026515007019
Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0458577871322632
Cc1ccccc1N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1,-1.1377456188201904
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.1453264951705933
O=C(N[C@@H]1CC[C@](O)(c2ccc(F)cc2)C1)[C@@H]1CCOC1,-1.4909135103225708
c1cc(OC2CCCC2)ccc1CNC1CCCC1,-1.631749153137207
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9181682467460632
Cc1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2C)cc1Cl,-0.7568860054016113
Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)n[nH]2)cc1,-1.0494290590286255
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3010575771331787
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Br,-0.8089743852615356
Cc1ccc(C2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1033376455307007
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.029632568359375
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.085370421409607
C[NH+]1CCC[C@@](C)(C(=O)Nc2cccc(C(=O)[O-])c2)C1,-1.3446123600006104
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9975795745849609
c1ccc(N2CCN(Cc3ncnn3-c3ccccc3)CC2)cc1,-1.293865442276001
Cc1cc(Cl)ccc1NC(=O)NC[C@@H]1CCOC1,-1.581165075302124
Cc1ccc(N)cc1C(=O)NC1CC(c2ccccc2)C1,-1.1530895233154297
CC(C)(C)C(=O)Nc1ccc(N2CCOC3(CCCCC3)C2)cc1,-1.3615219593048096
O=C(C[NH+]1CC2(CCCC2)CO1)NCCC1CCCCC1,-1.6726183891296387
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0922030210494995
O=C(Cc1ccccc1)N1CCC(Oc2ccc(O)cc2)CC1,-1.4912950992584229
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5683258771896362
CC(c1cccc(Br)c1)N1CCN(C(=O)c2ccccc2)CC1,-0.976108968257904
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2927780151367188
Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1F,-1.2119131088256836
Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.102196455001831
O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520325899124146
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.1812773942947388
Cc1ccc(NC(=O)CCC(=O)N2CCOC3(CCNCC3)C2)cc1,-1.4493300914764404
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-1.0378469228744507
Oc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1O,-1.4023640155792236
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.321913719177246
Cc1cc(F)ccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1,-0.9678636193275452
O=C(O)c1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1,-1.164557695388794
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.3593300580978394
Nc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4815970659255981
O=C(NC1CCN(c2ccccc2F)C1)c1cc(F)ccc1F,-0.7206538319587708
Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0925028324127197
O=C(c1ccc(CO)cc1)N1CCC(c2ccc(F)cc2)CC1,-1.1696332693099976
Cc1ccc(-c2ccsc2C(=O)Nc2cnn(C)c2)cc1,-1.0945022106170654
Cc1cc2c(C(=O)N3CCN(C4CCCCC4)CC3)cccc2nc1O,-0.44566500186920166
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)n[nH]1,-0.9411797523498535
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012626886367798
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(N)c1,-1.0906661748886108
Cc1ccc2nc(CNC(=O)c3ccc(Cl)cc3)sc2c1,-0.8686978220939636
[NH3+][C@H](CCc1ccccc1)C(=O)NCc1ccc(O)cc1,-1.5597318410873413
Clc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.0065337419509888
C[C@H]1CCC[NH+](CCCNC(=O)c2ccc3ccccc3n2)C1,-1.2284433841705322
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(O)cc1,-1.0043649673461914
O=C(Cc1ccccc1O)NC1(c2ccccc2)CCSCC1,-1.4457948207855225
Cc1cccc(CNC(=O)c2ccc3cnn(C)c3c2)c1,-1.0783330202102661
Cc1[nH+]cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-1.0104254484176636
O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0162198543548584
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.4099829196929932
Cc1cccnc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9670699238777161
CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)O1,-1.5269989967346191
O=C(c1ccc(O)cc1)N1CCN(CC[NH+]2CCCCC2)CC1,-1.49514901638031
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.506394386291504
Cc1nsc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)n1,-0.7477991580963135
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0750607252120972
C=CCS(=O)(=O)Nc1ccc(NC(=O)CCCC)cc1,-1.6285011768341064
Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.4664500653743744
O=C(NCC1CC([NH+]2CCCC2)C1)c1ccsc1,-1.5959070920944214
CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9117104411125183
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.3423972129821777
CC[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C,-1.0631427764892578
Cc1cccc(N2CCC(NC(=O)c3cccnc3N)CC2)c1,-0.9600120186805725
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.504641056060791
O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1,-1.0250396728515625
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003837823867798
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)co1,-1.1041901111602783
Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3368370532989502
O=C(NC1(O)CCN(c2ccc(F)cc2)C1)c1cccs1,-1.4302531480789185
CC1CCC(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CC1,-0.9441205859184265
c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.2512753009796143
Cc1ccccc1C(=O)N1CCC[C@@H](Cc2ccc(Cl)cc2)C1,-1.005910038948059
CCCCCOc1ccc(Cc2ccc(OC)cc2)cc1,-1.6029694080352783
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531722784042358
O=C(NCc1ccc(Cl)c(Br)c1)c1cc2ccccc2[nH]1,-0.7947590351104736
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1932238340377808
O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.486212968826294
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8536561131477356
O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.269466757774353
Cc1ccc(C)c(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1,-0.9838160872459412
Cc1ccc(CNc2ccc(Cl)cc2-c2ccccc2)cc1,-1.2591602802276611
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0016144514083862
c1ccc(Cc2cc3c(cn2)CN(Cc2ccccc2)CC3)cc1,-1.2017617225646973
Cc1csc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c1,-0.9790459275245667
O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1,-0.9303293824195862
CC(C)(F)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5472753047943115
Cc1ccc(CNC(=O)c2cc3cc(F)ccc3o2)cc1,-1.3053126335144043
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1686604022979736
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-1.0737336874008179
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863742351531982
O=C(N[C@@H]1CCN(C2CCCCC2)C(=O)C1)c1ccccc1,-1.3189928531646729
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1665560007095337
CCCN1CCC(NC(=O)N2CCOC3(CCOCC3)C2)CC1,-1.5732686519622803
O=C(NCc1ccccc1)N1CCC(CCCO)CC1,-1.6171019077301025
c1ccc(C[NH+]2CCC(n3nnnc3-c3ccccc3)CC2)cc1,-1.0937097072601318
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536553978919983
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.0091462135314941
CC(=O)c1ccc(NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)cc1,-1.1311194896697998
COc1cccc(C(=O)NCC[NH+]2CCCC[C@@H]2C)c1,-1.547606348991394
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0429909229278564
Cc1cc(C(=O)NCCC[NH+]2CCC[C@@H](C)C2)ccc1Cl,-1.1336615085601807
Nc1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1,-1.514777421951294
O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-1.157432198524475
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-0.951469898223877
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.0808069705963135
Cc1ccc(NCc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.4132276773452759
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0763436555862427
O=C(Nc1ccccc1F)[C@@H]1CCC(=O)N1c1ccccc1,-1.1481715440750122
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.252834677696228
COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H](F)C3)CC2)cc1,-1.0062676668167114
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8979235291481018
Cc1ncccc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1,-0.8986682295799255
O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2s1,-1.0421257019042969
C[C@@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(Br)cc1,-1.1559656858444214
O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1O,-0.9555602073669434
C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2)C[C@H](C)S1,-1.2912161350250244
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.322779893875122
CN1CC[NH+](Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C1,-1.3734126091003418
O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2422964572906494
Cc1ccc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.2108827829360962
O=C(Nc1ccccc1)C(=O)N1CCC(c2ccccc2)C1,-1.5020619630813599
CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.53103768825531
Cc1nsc(CC(=O)Nc2scnc2-c2ccccc2)n1,-0.8837426900863647
O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8978917598724365
O=C(NCc1ccccc1)Nc1ccc(Cl)cn1,-1.626038670539856
CCCCC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.2864089012145996
Cc1nc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.8216596841812134
Cc1cc(Cl)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.0097757577896118
CC1CC[NH+](CCNC(=O)C(O)=Nc2ccc(F)c(F)c2)CC1,-0.9201729893684387
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692875385284424
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0573973655700684
[NH3+]CCCc1cccc(C(=O)N[C@@H]2CCC3(CCOCC3)C2)c1,-1.5065703392028809
Fc1ccc(Nc2ccc(Cl)cc2)c(Cc2ccccc2)c1,-1.1640934944152832
C[NH+]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1,-1.1535987854003906
CC(C)(CC(=O)O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1,-1.097673773765564
CC(C)c1noc(CC(=O)N2CCN(c3ccccc3)CC2)n1,-1.0340113639831543
CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(F)c(Br)c1,-0.8962038159370422
COc1ccc(C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2481547594070435
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3786317110061646
Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCCCC3)C2)cc1,-1.2719751596450806
CCCCC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1,-1.4849913120269775
CC(C)(O)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1,-1.0199217796325684
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796483039855957
CC(=O)NC1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1,-1.292301893234253
CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.0655388832092285
COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.485755443572998
Cc1ccc(NC(=O)c2ccccc2F)cc1,-1.6098397970199585
C[NH+]1CCN(c2ccc(C(=O)N3CCC(CO)CC3)cc2)CC1,-1.1261762380599976
COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0546034574508667
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1903185844421387
O=C([O-])c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5959749221801758
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0746119022369385
O=C(Nc1ccccc1-c1ccccc1)N1CC2CCCC2C1,-1.1345152854919434
O=C(c1ncccc1O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0006792545318604
O=C(c1ccc2cc(F)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.404922217130661
CC(C)(O)CN1CCN(C(=O)COc2ccccc2)CC1,-1.603110909461975
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.4047420024871826
Cc1cc(F)ccc1C1CCN(C(=O)NC2CCCCC2)CC1,-0.9290469288825989
COc1cccc(CNC(=O)c2cc(C)no2)c1,-1.6665446758270264
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3557239770889282
Cc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.2371617555618286
C[C@@H]1C[NH+](C)CC[C@@H]1C(=O)NC(C)(C)Cc1ccccc1,-1.3703382015228271
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.078547716140747
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9023092985153198
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.886358380317688
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464746952056885
Cc1cc(O)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1,-0.903934121131897
Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)o1,-1.1923511028289795
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846289157867432
CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1,-1.4906002283096313
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053599238395691
Cc1ccc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.1659793853759766
O=C(N[C@@H]1CCCC[C@H]1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.7871225476264954
O=C(N[C@@H]1CC12CCC[NH2+]C2)c1cccc(-c2ccccc2)c1,-1.339086651802063
CCN1CCC(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.046830415725708
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382966041564941
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.890398383140564
CCc1cccc(NC(=O)N[C@H]2CC[NH+](C)C2)c1,-1.6748074293136597
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0840632915496826
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536562323570251
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1,-1.171807885169983
Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.4308415651321411
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.175929307937622
Cc1cc(C(=O)[O-])c(C(=O)NC2CC(C)(C)C2)o1,-1.3580219745635986
COc1ccc(C(=O)N2CCC[C@H](c3ccc(N)cc3)C2)cc1,-1.0768793821334839
COc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1,-1.6471803188323975
O=C1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1,-1.4557819366455078
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0788103342056274
Cc1nc(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(C)s1,-0.7693310379981995
CC(C)(O)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1,-1.5775811672210693
Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3Cl)C2)cc1,-1.0812515020370483
CC(C)(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1,-1.5689367055892944
O=C1CCc2cc(C(=O)NCC3CCCC3)ccc2N1,-1.239932656288147
O=C(N[C@@H]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-1.0075480937957764
O=C(c1ccc(Br)cc1)N1CCC[C@H]1CC(O)=Nc1ccc(F)cc1,-0.8978049755096436
COc1cccc(CNCc2ccc(C)cc2N)c1,-1.5241858959197998
Cc1ccc(NC(=O)N2CC(c3ccc(F)cc3)C2)cc1,-1.332753300666809
O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ccccc2)C1,-1.5281530618667603
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(I)cc1Cl,-0.7658504247665405
O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3896349668502808
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(Br)cc1,-1.2119063138961792
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1,-0.8555681705474854
Cc1ccc(NC(=O)C[NH+]2CCC[C@H](N3CCCCC3)C2)cc1,-1.3966543674468994
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1877964735031128
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0416395664215088
CC(O)=Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-0.895408570766449
O=C(NCC1CCOCC1)Nc1ccc(Br)nc1,-1.5349425077438354
Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.533329963684082
O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1c1ccccc1,-1.3304716348648071
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.4406371116638184
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2207111120224
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2724123001098633
Cc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.2343920469284058
CC(C)C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1,-1.0219001770019531
Cn1nc(-c2ccc(F)cc2)cc1CNc1ccc(Cl)cc1,-0.8266475200653076
CCc1ncc(C(=O)NCc2ccc(N)cc2)s1,-1.2726109027862549
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0981873273849487
Clc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.130324125289917
CCc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1,-1.4814518690109253
C[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(O)cc2)CC1,-1.0673730373382568
O=C1C[C@@H](NC(=O)c2ccccc2)[C@@H](c2ccccc2)CN1,-1.3335001468658447
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0367755889892578
Cc1nc2ccc(CNC(=O)c3cccc(Cl)c3)cc2s1,-0.7961300611495972
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O,-1.201536774635315
O=C(Nc1ccccc1F)c1ccc(-c2ccc(F)cc2)cc1,-1.0292608737945557
O=C(NCc1nc2ccccc2s1)c1ccc(F)c(Cl)c1,-0.6651372313499451
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0468292236328125
Clc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0145223140716553
O=C(Cc1nc2ccccc2o1)NCc1ccc(Cl)cc1,-1.2494690418243408
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1816052198410034
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1c1ccccc1,-0.7693513035774231
O=C(CN1C(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cc1,-1.061617374420166
Cc1ccccc1CNc1cccc(OC(C)C)c1,-1.5955551862716675
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(C2CCCCC2)no1,-1.1533024311065674
C[NH+]1CCN(C(=O)c2cccc(NCC(F)(F)F)c2)CC1,-1.0510201454162598
CC(C)(O)CC(=O)N1CCC[C@H](OCC2CCCCC2)C1,-1.5853272676467896
Nc1cccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1,-0.9937074780464172
O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1,-1.0835533142089844
COc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.5291193723678589
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.406644582748413
O=C([O-])[C@H](C(=O)NCc1cccs1)c1ccc(F)cc1,-1.3408784866333008
C[C@@H]1CN(C(=O)NCC2CCCCCC2)CC2(CCC2)O1,-1.5615793466567993
COc1ccc(C(=O)NC(C)C(O)=NC2CCCCC2)cc1,-1.3660025596618652
C[NH+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0410685539245605
O=C(Nc1cccc(F)c1F)N1CCN(c2ccccc2)CC1,-0.9419851899147034
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.0934035778045654
C[NH+]1CCC[C@@H](NC(=O)c2ccc(CC(F)(F)F)cc2)C1,-1.081279993057251
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1,-1.0748533010482788
Cc1ccc(-c2ccc(NCc3cccc(N)c3)cc2)cc1,-1.3229800462722778
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(CC)cc1,-1.4734519720077515
CCc1ccc(C(=O)NC2CC[NH+](CCO)CC2)cc1,-1.5599277019500732
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4045698642730713
O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.5461472272872925
O=C(N[C@@H]1CC[C@H](C2CCC2)C1)c1ccc(N2CCCC2)cc1,-1.097977638244629
O=C(N[C@H]1CC[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1,-1.00737726688385
O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9491868615150452
Cc1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cs1,-1.0875657796859741
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.147361159324646
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0432898998260498
C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC[NH+]1C,-1.3811156749725342
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.980806827545166
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9852151870727539
CCOc1cccc(NC(=O)c2cnc(C)s2)c1,-1.4681187868118286
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2970988750457764
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.897561252117157
[NH3+][C@@H]1CCC[C@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.3915857076644897
Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9833503365516663
C[C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.942825436592102
CCOc1ccc(NC(=O)C2=CCOc3ccccc32)cc1,-1.5146790742874146
C[C@@H](c1noc(C2CCCCC2)n1)c1nc(C2CCCCC2)no1,-0.8011764287948608
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.1553272008895874
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9305148124694824
COc1ccc(-c2nc(C)nn2Cc2ccc(F)cc2)cc1,-0.9304533004760742
O=C(c1ccc(Cl)cn1)N1CCC[C@@H](CC[NH+]2CCCCC2)C1,-0.961988627910614
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997233629226685
Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0283780097961426
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4435279369354248
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C)n1,-0.9657098650932312
O=C(Nc1ncccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8203443884849548
C[C@H](Oc1ccc(N2CCOCC2)cc1)C(=O)N1CCCCC1,-1.4765355587005615
c1ccc(CCc2nc(-c3ccccc3)no2)cc1,-1.6158454418182373
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0718470811843872
COc1ccc(CNCC2CCCC(=O)C2)cc1,-1.6501336097717285
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4919183254241943
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Br)cc1)[C@@H]1CC12CCC2,-1.2263243198394775
C[C@@H]1CCCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.3575443029403687
O=C(NCc1ccc(F)cc1)N1Cc2ccc(Cl)cc2C1,-0.9649057388305664
C[NH+]1CCN(c2ccccc2NC(=O)C2CCCc3ccccc32)CC1,-0.863315224647522
O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-1.0821245908737183
O=C(NC1CC(c2cccc(Cl)c2)C1)c1cccc(Cl)c1,-0.9668217301368713
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2007960081100464
Cc1nc2c(s1)C[NH+](CC(=O)OCc1ccccc1)CC2,-1.1467812061309814
COCC1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1,-1.263851523399353
C[NH+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9899672865867615
Cc1ccccc1NC(=O)Nc1ccccc1S(C)(=O)=O,-1.5339250564575195
Cc1ccccc1NC(=O)NCC(O)=Nc1ccc(Cl)cc1,-1.2528272867202759
COc1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1,-1.383245825767517
C[C@H]1C[NH+](C)CCN1c1ccc(C(=O)Nc2ccccc2)cc1,-1.1675119400024414
COc1ccc(C(=O)N2CCC(c3ccc(N)cc3)CC2)cc1,-1.0835191011428833
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-1.0737296342849731
O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)c1ccc2ccccn12,-1.1572922468185425
C[C@H]1CCC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)O)CC2)C1,-1.40424382686615
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)on1,-1.124154806137085
CC1(C)CC[C@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(F)cc1,-1.1248600482940674
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9820270538330078
C[C@H]1C[NH2+]CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1,-1.287834644317627
CC(=O)Nc1cccc(C[NH+]2CCc3nc(C)sc3C2)c1,-0.8927623629570007
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)cc1,-1.0011303424835205
Clc1ccc(-c2ccc(NCc3ccc(I)cc3)cc2)cc1,-1.0270389318466187
CC[C@H]1CCCN(C(N)=O)C1,-1.843052625656128
CN1CCCC(C(=O)N2CCC(c3ccc(F)cc3)C(C)(C)C2)C1,-0.736145555973053
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4873052835464478
C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ncccc3O)CC2)CC1,-1.1624187231063843
C[C@@H]1CN(C(=O)NCc2ccccc2)CC2(CCCC2)O1,-1.6388568878173828
Cc1ccc(-c2nc(COc3ccc(F)cc3)no2)c(F)c1,-0.9607328772544861
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(F)c1,-1.3653998374938965
Nc1ccc(N2CCC[C@H](NC(=O)c3ccccc3F)C2)cc1,-1.0831769704818726
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924142599105835
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.275193214416504
COc1cccc(CCC(=O)N2CCC(c3nn[n-]n3)CC2)c1,-1.0797808170318604
C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9327478408813477
Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.253092646598816
Fc1ccc(C[NH2+]C2CCN(c3cccc(F)c3)CC2)cc1,-1.1676405668258667
Nc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9180604219436646
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.988902747631073
Nc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9651706218719482
O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9548393487930298
C[C@@H]1CCCCN(C(=O)Nc2ccccc2N2CCOCC2)C1,-1.2812172174453735
Cc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1,-1.1239036321640015
O=C1Cc2cc(NC(=O)Nc3ccccc3)ccc2N1,-1.5289901494979858
Nc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.481019526720047
Cc1ccc(CNC(=O)c2ccc3c(c2)CCO3)c(F)c1,-1.1540708541870117
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1583088636398315
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-0.9068285226821899
CC[C@](C)(O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1,-1.553494930267334
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480300188064575
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.445847988128662
O=C(Nc1ncccc1Cl)C1CCN(c2cccc(Cl)c2)CC1,-0.7787272334098816
C[NH+]1CC[C@@]2(CCCN(C(=O)C(=O)Nc3cccc(Cl)c3)C2)C1,-1.1002100706100464
C[C@@H]1CCCC[C@H]1[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1,-1.0080914497375488
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Br)nc1,-1.0706770420074463
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.1084551811218262
Cc1ccc(-c2ccc(F)cc2)c(NCc2ccccc2)c1,-1.2401838302612305
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(O)ccc1F,-1.2726324796676636
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0489604473114014
O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1,-1.4214122295379639
Cc1cc(CNC(=O)N2CCOC3(CCOCC3)C2)on1,-1.5839496850967407
Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.0855716466903687
NS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1,-1.1794333457946777
C[C@H]1C[NH+](C)CCN1c1ccc(NC(=O)c2ccccc2)cc1,-1.1722595691680908
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503670930862427
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0797550678253174
C[C@@H]1CN(C2CCCCC2)C[C@H](C)O1,-1.7520432472229004
Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3110567331314087
CCc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.62807297706604
Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)n[nH]1,-0.9572826027870178
Cc1nccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8746906518936157
CC(C)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)nn1,-0.8567389845848083
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4720927476882935
COc1ccc(C[NH+]2Cc3ccc(-c4ccccc4)cc3C2)cc1,-1.1687779426574707
O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@H](c2cccc(Cl)c2)C1,-0.9823613166809082
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0770424604415894
COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.4295203685760498
O=C(NCc1ccc2ccccc2n1)c1cc2ccccc2o1,-1.0134259462356567
C[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1425858736038208
O=C(c1ccccc1I)N1CCC(Nc2cccc(Cl)c2)CC1,-0.7989634871482849
CC(C)(CO)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5612035989761353
C[C@@](O)(CC(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.48861563205719
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1872094869613647
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0811657905578613
O=C(Cc1ccccc1)NCc1ccc2c(c1)OCCO2,-1.5500235557556152
O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.207165002822876
c1cc(-n2cnnn2)ccc1CNCC1CCCC1,-1.4434120655059814
CCCC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(C)C)CC1,-0.9443851709365845
CCC(C)C(=O)NCc1cccc(N2CCN(C)CC2)c1,-1.2708452939987183
Clc1ccc(CNc2ccc(Cl)cc2N2CCCCC2)cc1,-0.9419187903404236
O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-0.9161670207977295
O=C(NC(c1ccc(Cl)cc1)C(F)(F)F)C1CCCCC1,-0.9282227754592896
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Br,-0.8828170299530029
O=C(NCc1ccc(Cl)cc1)NC1CCOCC1,-1.616105318069458
CCOC(=O)c1ccc(CN2CCC(O)C2)cc1,-1.6512197256088257
Brc1ccc(Br)c(NC[C@H]2CCOC[C@H]2c2ccccc2)c1,-0.9479917883872986
Cc1ccc([C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)cc1,-1.0691187381744385
Cc1cccc(CNC(=O)[C@H]2CCC3(CCCCC3)O2)c1,-1.6222434043884277
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(N)cc2)cc1,-1.4891445636749268
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1,-1.0684070587158203
C[C@H]1CN(C(=O)Nc2ccccc2Cl)CCN1c1ccccc1,-0.9613737463951111
Cc1cccc(NC(=O)C2CC[NH+](C3CCOCC3)CC2)c1F,-0.9937001466751099
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2,-0.9021249413490295
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cn1,-1.3750311136245728
Cc1ccc(CNC(=O)C(=O)c2ccc(F)cc2)cc1,-1.5576248168945312
O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.488855242729187
O=C(CCCc1ccc(Br)cc1)NCc1ccc(O)cc1,-1.4640899896621704
CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.9439534544944763
Cc1cc(NC(=O)c2ccco2)n(-c2ccc(Cl)cc2)n1,-1.070434331893921
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2954856157302856
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7933014035224915
CC(C)CC[NH+]1CCN(C(=O)Nc2nc3ccccc3s2)CC1,-0.8403001427650452
COc1cc(C)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1,-1.5333551168441772
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874435663223267
COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6182259321212769
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1842472553253174
Cc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2)cc1,-1.5462783575057983
Cc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)o1,-1.4107786417007446
COc1cccc(CNC(=O)c2cc(C)on2)c1,-1.6049803495407104
O=C(Nc1ccc(O)cc1Cl)C1CCN(c2ccccc2)CC1,-1.1202419996261597
CCc1ccc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.334222435951233
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1F,-0.7937163710594177
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccncc1Br,-0.7608509659767151
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.969804048538208
Cc1cc(F)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,-1.1844085454940796
COc1ccc(NC(=O)[C@H](C)CC(=O)N2CCOCC2)cc1,-1.5092915296554565
Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9486100673675537
C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1,-1.100393533706665
O=C(Nc1ccccc1)C1CCN(c2ccc(F)cc2)C1=O,-1.1502232551574707
O=C(Nc1ccc(Br)cc1F)N1CC[NH+](C2CCOCC2)CC1,-0.830953061580658
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0864778757095337
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741743803024292
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.460854709148407
Cc1[nH]c(CNC(=O)CCC2CCCCC2)c[nH+]1,-1.6624629497528076
O=C1CC[C@H](C[NH2+]C2CCCCC2)N1c1ccc(F)cc1,-1.3263641595840454
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.943905234336853
C[NH+]1CCC(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)CC1,-1.305495023727417
O=C(Nc1ccccc1F)[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.920940101146698
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3O)cc2)cn1,-1.0916192531585693
CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2418545484542847
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.956128716468811
Nc1ccc(-c2ccccc2)c(OCc2ccc(Br)cc2)c1,-1.1590075492858887
O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520344972610474
C[C@@H]1CCCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1,-1.1975897550582886
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0778803825378418
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0928717851638794
Cc1ccccc1NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C,-0.7681668400764465
Cc1cnc(NCc2ccc(F)cc2)c(-c2ccccc2)n1,-0.9828733205795288
c1ccc(C[NH+]2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2476236820220947
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1,-1.100748896598816
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.1029269695281982
Nc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.4336693286895752
C[NH+]1CCC[C@@H](C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.9009923934936523
Cc1ccc(C[NH2+][C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1,-1.350154161453247
O=C(N[C@H]1CC[C@@H](F)C1)c1conc1-c1ccc(F)cc1,-1.0712367296218872
CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.4003013372421265
[NH3+]c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1,-1.193733811378479
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0088403224945068
Cc1nc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cs1,-0.9674809575080872
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-1.0049768686294556
CC(=O)Nc1ccc(SCC2CCOCC2)cc1,-1.632797360420227
Cc1ccc(N2CC[C@H](NC(=O)C3CCCCC3)C2=O)cc1,-1.241350769996643
Cc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2)c1,-1.4029990434646606
O=C(Nc1ccccn1)C1CCN(c2ccc(F)cc2F)CC1,-0.8689754605293274
O=C(Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1F,-1.2794278860092163
C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(F)(F)F)CC2)CCO1,-1.1239075660705566
C[NH+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-1.1293346881866455
Cc1ccccc1C(=O)NC1CCN(c2ccc(N)cc2)CC1,-1.063462734222412
O=C(c1ccccc1O)N1CCC[C@@H](Oc2ccc(Br)cc2)C1,-1.0914288759231567
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571049213409424
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.3459841012954712
Cc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2)C[C@H]1C,-1.0658003091812134
C[C@@H]1C[NH+](C)CCN1c1ccc(NC(=O)c2ccccc2)cc1,-1.172716736793518
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.527732253074646
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-1.03239905834198
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2778457403182983
Cc1cccc(NC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1,-0.9465304017066956
Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-0.9476069211959839
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.7997966408729553
C[C@]1([NH+]2CCCCC2)CCN(C(=O)c2cc3c(cc2C#N)CCC3)C1,-0.6666743159294128
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0867338180541992
Cc1ccc(C2CCN(C(=O)NC(C)(C)CO)CC2)cc1,-1.3718870878219604
CC(C)(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccs1,-1.2373285293579102
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl,-0.984325647354126
C[C@@H]1C[NH+](Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.4019412994384766
CC1CC[NH+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.5437318086624146
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1361968517303467
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2s1,-1.050052523612976
Cc1ccn2c(C(=O)Nc3ccc4c(c3)CCCC4)c(C)nc2c1,-0.6292088627815247
COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.639556646347046
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5303287506103516
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(N)c1,-1.2427990436553955
O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5679712295532227
CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1,-0.9004007577896118
Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)no1,-0.846303403377533
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.2809686660766602
C[C@H](NC(=O)c1ccc(N2CCOCC2)[nH+]c1)C(C)(C)C,-1.2958788871765137
Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3)CC2)cc1,-1.3551583290100098
Cn1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1,-0.8683211803436279
O=C(C[NH+]1CCCC1)N[C@H]1CCO[C@H]1c1ccc(Br)cc1,-1.385670781135559
O=C(Cn1ncc2ccccc21)NCc1ccc(Br)cc1,-1.1465935707092285
CC(C)[C@H](F)C(=O)NCc1ccc(C(F)(F)F)cc1,-1.0178909301757812
O=C(c1ccc2cc(F)ccc2n1)N1CC[C@@](O)(c2ccccc2F)C1,-0.5717280507087708
[NH3+]C1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4940471649169922
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9204797148704529
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0123753547668457
Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.8460723161697388
C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.5512677431106567
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.0331319570541382
CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.0466893911361694
Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.3433798551559448
CC(C)(CNC(=O)c1ccc(Cl)cn1)c1ccc(Br)cc1,-0.8977122902870178
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2424348592758179
Cc1nnc(NC(=O)[C@H]2CCC[C@H]2c2ccc(Cl)cc2)s1,-0.6755616068840027
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.371281385421753
Cc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c(Cl)c1,-1.1300585269927979
CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.6888927221298218
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0497506856918335
O=C(Nc1nc2ccccc2o1)c1ccc(-n2cccn2)cc1,-1.1080548763275146
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5434978008270264
O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Cl)cc1,-1.1240359544754028
O=C(Nc1ccc(-c2ccco2)cc1)c1cc2ccccc2s1,-1.1065101623535156
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8480039834976196
O=C1C[C@H](NCc2ccccc2)CN1c1ccc(F)cc1,-1.373700737953186
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.5304516553878784
Cc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1Br,-1.1840500831604004
Nc1ccc(OCC(=O)Nc2cccc3[nH]cnc23)cc1,-1.2805331945419312
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2358460426330566
Cc1ccc(NC(=O)c2cccc(CC(C)C)c2)c(C)c1,-1.1677007675170898
Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1Cl,-0.8667507767677307
O=C(c1cncs1)N1CC[C@](O)(Cc2ccc(I)cc2)C1,-1.368540644645691
C[C@@H]1CCC[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1,-1.3322160243988037
Cc1ccc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1,-0.43188583850860596
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2occc2c1,-1.210006833076477
CC[NH+]1CCC(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1,-0.9255148768424988
CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1825865507125854
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2424514293670654
Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.138420581817627
Cc1cncc(F)c1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9907682538032532
O=C(NCc1ccc(F)cn1)Nc1ccccc1,-1.674025297164917
O=C(N1CCN(c2cccc(Cl)c2)CC1)N1CCCC2(CCOCC2)C1,-0.9477288126945496
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1455410718917847
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0066357851028442
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.1106458902359009
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.079745888710022
O=C(c1ccc(I)cc1)N1CCN(Cc2ccccc2F)CC1,-0.8854154944419861
C[NH+]1CCC(C(=O)Nc2cc(I)ccc2C(=O)[O-])CC1,-0.9390005469322205
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.2934008836746216
C[C@@H]1CN(c2ccc(C[NH2+]C3CCOCC3)cc2)C[C@@H](C)O1,-1.5006440877914429
Cc1ccc(N2CCN(C(=O)C(=O)c3ccc(F)cc3F)CC2)cc1,-0.6867506504058838
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9541667699813843
Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.5918798446655273
Fc1ccc(C[NH+]2CCN(CC3CCCCC3)CC2)cc1Br,-1.1172670125961304
CC(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1,-1.5110490322113037
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4437893629074097
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.2933968305587769
C[C@H](CNC(=O)C[NH+]1CCc2ccccc21)c1ccc(F)cc1,-1.056044578552246
Cc1cc(C)c(NC(=O)c2ccc(N(C)C)cc2)cc1Br,-0.7356364727020264
Clc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1Br,-1.141092300415039
N=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.5331298112869263
C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CCO2)CC1,-1.5770994424819946
O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1ccc(F)cc1,-1.4060817956924438
C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9300076365470886
O=C(C1CC[S+]([O-])CC1)N1CCN(Cc2ccccc2)CC1,-1.3257619142532349
Cc1nc(-c2ccc(OCc3ccc(Cl)cc3F)cc2)no1,-0.9177438616752625
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8967317938804626
CCCOc1ccc(CNc2ccc(Br)nc2)cc1,-1.5304125547409058
Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc([NH3+])cc1,-1.1673569679260254
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700159072875977
Cc1nc(C[NH+]2CCN(Cc3ccc(F)cc3F)CC2)cs1,-0.7883883714675903
O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1c1ccccc1F,-0.8587558269500732
CN1CCN(CC(=O)c2ccc(Oc3ccccc3)cc2)CC1,-1.4880644083023071
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.1334962844848633
O=C(N[C@H]1CC[NH2+]C[C@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9441794753074646
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.938149631023407
COc1ccc(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)cc1F,-1.0198252201080322
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(S)cc1F,-0.9767205119132996
COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-1.02468740940094
CC1CC[NH+](CCCNC(=O)Cc2ccc(Cl)cc2)CC1,-1.4685449600219727
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(Br)cc1,-1.5077275037765503
O=C(c1ccc(I)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.0212748050689697
Cc1ccc(C(=O)NCC2CC3(CCC3)C2)cc1F,-1.297303318977356
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5285334587097168
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1,-1.1116997003555298
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2647432088851929
CC(C)Oc1ccc(S(=O)(=O)Cc2ccccc2)cc1,-1.5943502187728882
CCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1,-1.0695266723632812
O=C(NCc1ccc(F)cc1)c1ccc2nc(S)[nH]c2c1,-0.9136595726013184
O=C(C[NH+]1CCN(C2CCCCC2)CC1)Nc1ccc(O)cc1,-1.4420745372772217
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.36113840341567993
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9093123078346252
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
C[C@@H]1[C@@H](C)OCC[NH+]1Cc1ccc(C(=O)N2CCCCC2)cc1,-1.2178207635879517
CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2F)CC1,-1.075914978981018
O=C(C[NH+]1CC[NH+]2CCC[C@@H]2C1)NCc1ccc(F)cc1,-1.3217110633850098
[NH3+]c1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0977110862731934
Cc1ccc(C2CC(NC(=O)c3cnn(C)c3C)C2)cc1,-0.8742707967758179
O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.0666204690933228
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0977710485458374
O=C(NCCc1ccc(F)c(F)c1)c1ccc(F)cc1F,-0.8091939687728882
O=C(N1CCC(CO)CC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.0768978595733643
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8944560289382935
Cc1ccc(NC(=O)C(=O)OC(C)(C)C)cc1Br,-1.4402779340744019
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2256088256835938
Cc1cc(O)ccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.199830412864685
Nc1ccc(OC(=O)OCc2ccccc2)cc1,-1.6917062997817993
Cc1c(Cl)cccc1NC(=O)N1CCOC[C@H]1c1ccccc1,-1.0035862922668457
O=C(N[C@@H]1CCCO[C@@H]1C1CCOCC1)c1ccc(F)cc1F,-1.0362893342971802
Cc1ccc(NC(=O)CCCCN=C(O)Cc2ccc(F)cc2)cc1,-1.4693422317504883
Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1,-1.1781632900238037
O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1,-0.7693002223968506
O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5194857120513916
COc1cccc(CNC(=O)N2CCCCC[C@H]2C)c1,-1.550795555114746
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0343934297561646
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1902644634246826
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.2042183876037598
O=C(NC(=O)N1CCCC2(CCOCC2)C1)C1CCOCC1,-1.546073317527771
C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCN1c1ccc(F)c(F)c1,-0.44592922925949097
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@@H]1CC[C@H](F)C1,-1.02028489112854
Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4246586561203003
Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3F)C2)cc1,-1.1415550708770752
CC1(C)CC[C@@H]1[NH+]1CC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.0148600339889526
O=C(Nc1nc2ncccc2s1)c1ccc(-c2nn[n-]n2)cc1,-0.6136348247528076
O=C(CCN=C(O)Cc1ccccc1)NCc1ccccc1,-1.5996969938278198
C[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(N)nc2)C1,-0.9615545868873596
CCc1ccc(N2CCC(NC(=O)C(C)(C)F)CC2)cc1,-1.1550666093826294
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1596125364303589
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.9169453978538513
O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CC[C@H](F)C1,-1.0645313262939453
Cc1ccccc1N1CCC(NC(=O)c2cccc(N)c2)CC1,-1.1690714359283447
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3F)c2)cn1,-1.0013446807861328
COc1cccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1,-0.9877431988716125
Nc1cccc(C(=O)NCc2cc3ccc(Cl)cc3[nH]2)c1,-0.9782528877258301
[NH3+]CC1CCN(C(=O)[C@@H]2CCCC[C@H]2c2ccc(F)cc2)CC1,-1.0101150274276733
CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.8157010078430176
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC2(CCC2)C1,-1.429616093635559
Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.8766078948974609
N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,-0.8868817687034607
O=CNCC[C@H]1CC12CCC2,-1.9384340047836304
CC1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.5047224760055542
C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.2662856578826904
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3011475801467896
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1,-1.4457091093063354
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(I)cc2)cc1,-1.32817804813385
Cc1cccc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CC[NH+](C)C2)c1,-1.4648064374923706
Cc1nc2ccc(CNC(=O)c3cccc(Br)c3)cc2o1,-0.9921153783798218
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1,-1.2114382982254028
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8761714100837708
C[C@@H]1Cc2cc(C(=O)NCc3ccccc3O)ccc2O1,-1.2326807975769043
O=C(Cc1ccc(Cl)nc1)N1CCC(Cc2ccccc2)CC1,-1.1660548448562622
CCN1CCN(C(=O)c2ccc(-c3ccc(O)cn3)cc2)CC1,-1.0472534894943237
Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)n[nH]1,-0.8746600151062012
O=C(c1cccc(Cl)c1F)N1CCN(Cc2ccccc2)CC1,-0.9095888137817383
Cc1ccc(Br)c(NC(=O)N2CCC[C@H](c3ccccc3)C2)c1,-0.9554449915885925
O=C(NCc1ccc2[nH]c(O)nc2c1)c1ccc(F)cc1,-1.063454508781433
Cc1nnc(SCc2ccccc2)n1-c1ccc(F)cc1Cl,-0.6471208333969116
Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.051774501800537
CCC(C)(CC)C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1,-1.5265655517578125
CCc1ncc(C(=O)NCc2ccc(F)cc2)o1,-1.6256498098373413
O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C2CCCCCC2)CC1,-1.1505022048950195
O=C(NCC1CCC(F)(F)CC1)N1CCc2scnc2C1,-0.8473598957061768
CCC(C)(C)NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2940677404403687
Cc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2)c1,-1.4029935598373413
C[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1,-1.5100244283676147
CC1CN(C(=O)NCc2nc3ccccc3s2)CC(C)O1,-1.0014066696166992
CC1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC1,-0.5144369602203369
O=C(Nc1ccc(O)cc1F)C1CCN(c2ccccc2)CC1,-1.061070442199707
O=CNCC1CCCCC1,-1.994107723236084
C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3541665077209473
O=C(NCC1CCOCC1)c1ccnn1C1CC1,-1.5862962007522583
CC(O)=Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C,-0.9131263494491577
O=C(Nc1ccccc1F)N1CCO[C@@H](c2cccc(F)c2)C1,-1.1016179323196411
CC(C)(O)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.5064886808395386
O=C(NCC[NH+]1CCCC1)Nc1ccc(Br)cc1,-1.550349235534668
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.0959995985031128
O=C(Nc1ccc(I)cc1)C(=O)Nc1cccc(Br)c1,-1.1909769773483276
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0112295150756836
Cc1ncccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9253516793251038
Nc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(Cl)c1,-0.8959491848945618
O=C(c1ccc(CF)cc1)N1CCN(c2ccc(F)cc2)CC1,-0.9808931946754456
CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.2750860452651978
Nc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1,-1.0796107053756714
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565252304077148
CCc1ccc(NC(=O)N[C@@H]2CC[NH+](C)C2)cc1,-1.6239441633224487
Cc1ccc(C(Nc2ccc(F)cc2)c2ccccc2)cc1,-1.326869249343872
CC(C)c1ccnc(N2CCN(C(=O)c3ccccc3)CC2)c1,-1.0133739709854126
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1917216777801514
C[C@H]1CCCC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)C1,-1.3085906505584717
Cc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1,-1.5104522705078125
C[C@H]1C[NH2+]CCN1c1ccc(CNC(=O)C(C)(C)C)cc1,-1.1974308490753174
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100518941879272
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9791285991668701
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1,-1.1789169311523438
CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2665164470672607
O=C(N[C@@H]1CC[C@H](F)C1)N1CCC[C@@H]1c1ccc(F)cc1,-1.0057436227798462
C[C@@H]1COCCN1C(=O)NC1CCC(c2ccc(Cl)cc2)CC1,-1.0172451734542847
Cc1cccc(-c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3O)cc2)c1,-1.184340476989746
O=C(NCc1ccc(F)cc1F)N1CCc2nccn2C1,-0.8185871243476868
C[C@@H](Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1,-1.3124139308929443
Cc1cccnc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1,-0.9437352418899536
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1098666191101074
Cn1cc(NC(=O)C[NH+]2CCC[C@@H]2c2ccccc2)cn1,-1.4795068502426147
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1,-1.0057456493377686
O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0290335416793823
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5667846202850342
Cc1ccc2sc(C(=O)NCc3ccc(C)nc3)cc2c1,-0.9639899134635925
Cc1cccc(CNC(=O)N2CCCC3(CCCC3)C2)c1,-1.5411466360092163
CCN1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1,-0.8928161859512329
Cc1nc2c(o1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-0.9022991061210632
Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0479196310043335
O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.4821034669876099
CC(C)([NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1,-1.4295657873153687
CCCc1ccccc1CCCCC(=O)Nc1ccc(C)cc1,-1.5007023811340332
CC(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1,-0.9638185501098633
O=C(COc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1,-1.267187476158142
O=C(NC1CCCCCC1)N1CCN(c2ccc(Br)cc2)CC1,-1.1059010028839111
Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,-1.5512036085128784
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](C2CCCCC2)C1,-0.697594165802002
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@@H]2C)cc1,-1.4604910612106323
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.2125191688537598
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5506428480148315
[NH3+][C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.1473790407180786
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679197549819946
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOCC1,-1.2714344263076782
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.193514347076416
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccn2)CC1,-1.0328460931777954
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.561046838760376
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9447721242904663
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)n1,-0.8824738264083862
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1411807537078857
Nc1ccc(Oc2ccc(CC(=O)N3CCOCC3)cc2)nc1,-1.3914549350738525
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5076704025268555
CC(C)(O)C[NH+]1CCC(NC(=O)c2cccc(O)c2)CC1,-1.5339374542236328
Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCC[C@H]3C2)cc1,-1.4510657787322998
CCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1,-1.5874860286712646
Cc1ccc(C(=O)NCC(O)Cc2ccc(F)cc2)cc1,-1.4692131280899048
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0258513689041138
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1109685897827148
O=C(Nc1ccc([O-])cc1)C(=O)Nc1ccc(Br)cn1,-1.269166111946106
Cc1nc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cs1,-0.9596811532974243
Cc1ccc2nc(C(=O)N3CCC(N4CC[NH+](C)CC4)CC3)ccc2c1,-0.5217489004135132
CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1,-1.1704599857330322
CCN=C(O)CSc1nnc(-c2ccc(Cl)cc2)n1CC,-0.8613243103027344
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0215545892715454
CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.1910604238510132
Cc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)c(N)c1,-1.1519461870193481
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[NH+](C2CCCCC2)C1,-0.8930933475494385
COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0580146312713623
O=C1NCCN(C(=O)NC2CCCCC2)[C@@H]1c1ccccc1,-1.2577753067016602
C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1,-0.494089812040329
O=C(C[NH+]1CCc2cc(F)ccc2C1)N1CCN(c2ccccc2)CC1,-0.8219835758209229
Cc1ccc(C(=O)N2CCC(N)(c3ccc(F)cc3)CC2)cc1F,-0.6688558459281921
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3114104270935059
O=C(NCc1ccc(Br)cc1)c1cc2ccc(Br)cc2[nH]1,-0.9556525945663452
O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3766359090805054
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncsc2c1,-0.7712355852127075
O=C(OC1C=CN(c2ccccc2)C1=O)c1ccccc1,-1.547433614730835
Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2323192358016968
C[C@@H]1CCCC[NH+](CCNC(=O)c2cccc3c2CCCC3)C1,-1.0323190689086914
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0404185056686401
Cc1cncc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1,-1.0951244831085205
C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1,-1.352582573890686
CC(O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1,-1.3841153383255005
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9888301491737366
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1,-1.3275842666625977
O=C(N[C@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.121042251586914
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.184376835823059
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.276107668876648
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.4993884563446045
C[NH+]1CCCCC12CCC(C(=O)NCC1CCCC1)CC2,-1.4274483919143677
CCOc1cccc(NC(=O)c2ccc(Br)s2)c1,-1.5144928693771362
Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.9689303636550903
CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.3508005142211914
Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.093841552734375
CC(C)(CC(=O)NCc1ccccc1)c1ccc(Br)cc1,-1.500604271888733
Nc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2900776863098145
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.234887719154358
CC(C)(CNC(=O)N1CCC[C@H](O)C1)c1ccc(Br)cc1,-1.3117793798446655
CCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4951986074447632
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1336669921875
OC(Nc1cc(F)ccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-0.8158057928085327
Cc1ccc2nc(CNC(=O)c3ccc(Cl)cc3)oc2c1,-1.1166349649429321
Cc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F,-1.2013485431671143
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccn2)CC1,-1.041467547416687
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9291547536849976
O=C(c1ccc(I)cc1)N1CCN(C(=O)C2CCCC2)CC1,-0.9392558932304382
O=C(NC[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1,-1.3396780490875244
Cc1cc(C(=O)N2CC[C@](C)(Cc3ccccc3)C2)ns1,-1.2669159173965454
COc1ccc(CNC(=O)N2CC[C@@H](C)C2)cc1,-1.622159481048584
Cc1cc(NC(=O)[C@H]2CCCO2)n(-c2ccc(Br)cc2)n1,-1.0077611207962036
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390518188476562
O=C(c1c(F)cc(Cc2ccccc2)cc1F)N1CCOCC1,-1.0169755220413208
COc1ccc(C(N)=O)cc1,-1.884711503982544
O=C(Nc1ccc(N2CC[C@@H](O)C2=O)cc1)c1ccccc1,-1.3190429210662842
O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccon2)CC1,-1.1077182292938232
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.061901330947876
O=C(N[C@@H]1CN(c2ccccc2)CCC1=O)C1CCCCC1,-1.2897506952285767
Cc1cc(N2CCOCC2)ccc1C(=O)Nc1ccc(F)cc1,-1.218005895614624
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Br)cc2F)CC1,-0.9529148936271667
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1067887544631958
Cc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.3085885047912598
Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1F,-1.1101441383361816
Cc1ccc(NCc2cccc(-c3ccc(Br)cc3)c2)cc1,-1.3421214818954468
Nc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0464414358139038
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)C1CCOc2ccccc21,-0.922010600566864
O=C(NC1CCCCC1)c1cc(F)c(N2CCOCC2)c(F)c1,-0.8588443994522095
CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cl)n1,-1.2773654460906982
O=C(Nc1ccn(-c2ccccc2)n1)c1c[nH]c2ccccc12,-1.087477684020996
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1544076204299927
O=C1C[C@H](C(=O)Nc2ccccc2)CN(c2ccccc2)C1,-1.4815876483917236
CCC(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4901847839355469
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0675424337387085
CN1CCC(CNCCOc2ccccc2F)CC1,-1.5924413204193115
Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.3446015119552612
Cc1ccc(C)c(NC(=O)N2CCN(C3CCCCC3)CC2)c1,-1.013374924659729
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502840757369995
Cc1ccc(CNC(=O)N2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1,-1.113564372062683
O=C(c1cc(F)ccc1O)N1CCN(Cc2ccccc2)CC1,-1.1443641185760498
Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1,-1.4070309400558472
CC(C)CCCCNC(=O)N[C@@H]1CCOC2(CCCOCC2)C1,-1.6315821409225464
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@H]2C)c1,-1.1022621393203735
O=C(Nc1ccccc1F)N1CCN(c2ccccc2Cl)CC1,-0.8735789656639099
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(F)c2)o1,-1.2911266088485718
Cc1ccc(N)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.046433687210083
Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Br)cc1C,-0.9034711718559265
COc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-1.1669198274612427
Nc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1479213237762451
O=C(c1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.481867790222168
COc1cccc(CNC(=O)[C@H]2CC[NH+](C)C2)c1,-1.6220357418060303
Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2s1,-0.9770786762237549
Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)oc3c2)s1,-1.1834505796432495
C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1cccc(F)c1,-1.181137204170227
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2184951305389404
Cc1ccc(CC(=O)NCCc2ccc(Br)cc2C)cc1,-1.1921461820602417
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2266480922698975
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.161143183708191
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.0980777740478516
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954912424087524
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439639449119568
C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9459490776062012
O=C(Nc1ccc(N2CC[C@@H](O)C2=O)cc1)c1ccccc1,-1.316292405128479
CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)[nH]1,-1.3086334466934204
CC1CCC(OCc2ccccc2)CC1N,-1.6924338340759277
Cc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.299208402633667
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1O,-1.0864903926849365
O=C(CSCc1ccccc1)NC1CCOCC1,-1.6918002367019653
O=C(Cc1ccccc1)N1CCNCC1,-1.773310661315918
Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(O)c1,-1.1953047513961792
O=C(NC1CC[NH+]([C@H]2CC23CCCCC3)CC1)N1CCOCC1,-1.3701550960540771
O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(Cl)cc1,-0.9039104580879211
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.059615135192871
O=C(Cc1ccco1)Nc1ccn(-c2ccc(O)cc2)n1,-1.521458387374878
N#Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1,-1.246872067451477
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6923319101333618
Cc1nc(NC(=O)[C@@H]2CCN(c3cccc(F)c3)C2)cs1,-0.9152572154998779
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.347294807434082
O=C(NCc1nc2ccc(Br)cc2o1)N1CCC[C@H](F)C1,-0.8233424425125122
Clc1ccc(-c2cc(NCc3ccccc3)nc(Cl)n2)cc1,-0.7905578017234802
c1ccc(C2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0335215330123901
Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)Cc1ccc(Br)cc1,-0.8855093717575073
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0192593336105347
O=C(Nc1ccc(F)cc1F)c1ccc(C2CCCCC2)cc1,-0.8629469871520996
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0973937511444092
Cc1cc(-c2ccccc2)c(OCc2ccccc2)cc1O,-1.3579868078231812
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1117252111434937
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.990726113319397
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2F)CC1,-1.055484414100647
O=C(NCC(=O)N1CCCC2(CCC2)C1)c1cccs1,-1.5297974348068237
Cc1nnc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.6495655179023743
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0346657037734985
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0913658142089844
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0834134817123413
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1745034456253052
Fc1ccc(-n2c(Cc3ccc(F)c(F)c3)nc3ccccc32)cc1,-0.4272107481956482
Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)nc1,-1.4390010833740234
Cc1nocc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.9828582406044006
CN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0706520080566406
Clc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.7945111989974976
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.064315676689148
O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[C@H]1C1CCOCC1,-1.3058995008468628
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0290418863296509
Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)nc1,-1.1321622133255005
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3062992095947266
COc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1,-1.1056568622589111
Cn1c(SCc2ccc(O)cc2)nnc1-c1ccc(F)cc1,-0.8491204380989075
C[NH+]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.0754897594451904
Nc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0287754535675049
O=C(NCC(O)=NCCc1ccccc1)c1ccc(O)cc1,-1.5379456281661987
Cc1c(Cl)cccc1NC(=O)N1CCO[C@H](c2ccccc2)C1,-1.0276834964752197
O=C(Nc1ccc(I)cc1)N1CCCN(c2ccccc2)CC1,-1.1819050312042236
O=C(CC1CCCC1)N1CCN(C(=O)c2ccccc2)CC1,-1.4391711950302124
c1ccc(Cn2nncc2N2CCN(c3ccccc3)CC2)cc1,-1.1772184371948242
CC(=O)N1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1,-1.105428695678711
CC(C)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2)cc1,-1.2914226055145264
O=C(NCc1ccsn1)N1CCO[C@H](C2CC2)C1,-1.5717755556106567
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750911712646484
O=C(NC1CCN(c2ccc(O)cc2Cl)CC1)c1ccccn1,-0.91279536485672
O=C(NCC1CCCCC1)N[C@H]1CCC[C@@H](F)C1,-1.6016772985458374
CC1(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CCOCC1,-1.3141666650772095
CC(C)(C)C(=O)NC[C@]1(C)CCC[NH+]1[C@@H]1CCCO1,-1.5609220266342163
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3F)C2)cn1,-0.9386340379714966
c1ccc(-c2nnc(C[NH+]3CCC(c4ccccc4)CC3)o2)cc1,-1.2446664571762085
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.441960334777832
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.142418622970581
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3144783973693848
O=C(c1ccc(F)cc1)C1CCCN1C(=O)c1ccccc1,-1.2665140628814697
Cc1cc(Cl)ccc1NC(=O)CCOc1ccc(Cl)cc1,-1.1722489595413208
Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)n1,-1.2020175457000732
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0102803707122803
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1899594068527222
Cn1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)n1,-0.9991045594215393
Nc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.2273929119110107
c1ccc(-c2ccc(CN3CCC[C@@H]3c3ccccc3)cc2)cc1,-1.34725022315979
O=C(c1cc(F)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9783488512039185
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2136391401290894
Clc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)cc1,-1.084242820739746
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2635486125946045
O=C(CCc1ccc(F)cc1)NCc1cc(Cl)ccc1Br,-0.9462982416152954
O=C(NCCc1ccccc1F)c1cc(Br)cc(Cl)c1O,-0.6675176024436951
Cc1ccc(CC(=O)CN2CCO[C@@H](c3ccccc3)C2)cc1,-1.543142557144165
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9936535358428955
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0131891965866089
Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1,-1.1579627990722656
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2982901334762573
COc1ccc(C(=O)NCCc2ccccc2C)cc1,-1.5556361675262451
O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCOCC1,-0.83103346824646
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1csc(C2CCCCC2)n1,-0.9520395994186401
CCCCCCCCCCCCCCC(=O)Nc1ccc(OCCO)cc1,-1.5813853740692139
C[C@H](Oc1ccccc1)C(=O)N1CCSC[C@H]1c1ccccc1,-1.3124566078186035
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(Cl)cc2)CC1,-0.8090959787368774
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0447349548339844
O=C(Nc1ccc(Br)cc1)C1CCN(c2ccccc2F)CC1,-0.8785644769668579
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.235296368598938
O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCN2)CC1,-0.9571743011474609
Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-0.9558864235877991
Fc1ccc(-n2ccnc2NCc2ccc(Br)cc2Cl)cc1,-0.6488854885101318
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1N,-0.4717633128166199
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0292072296142578
Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2910655736923218
O=C(Nc1ccc2occc2c1)N1CCC(c2cccs2)CC1,-1.2077122926712036
O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)c1ccc2[nH]ncc2c1,-1.0707045793533325
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8995321989059448
Cc1ccc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)c(Cl)c1,-0.8697245121002197
O=C(C[NH+]1CCO[C@@H](c2ccccc2)C1)NC1CCCCCC1,-1.5759153366088867
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2976022958755493
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2801629304885864
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)nc1,-0.8241819143295288
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCC(CO)CC1,-1.1244498491287231
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(I)c1,-0.8970924615859985
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.1029938459396362
O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCOC2(CCCCC2)C1,-1.2608247995376587
O=C(Nc1ccccc1N1CCOCC1)c1ccc(F)cc1O,-1.1032003164291382
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.918134331703186
Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2o1,-0.9552233815193176
O=C(NCC1CCCCC1)Nc1ccc(O)cc1,-1.6663917303085327
Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.1966969966888428
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2cc[nH]c2c1,-1.14231276512146
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.402138590812683
Cc1ccc(CNc2ccccc2-c2ccc(Cl)cc2)cc1,-1.2929006814956665
Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1,-1.1144379377365112
O=C(NC1CCN(c2ccccc2)CC1)C1CC(F)(F)C1,-1.1896675825119019
Cn1cc(CNC(=O)c2ccccc2)c2ccc(Br)cc21,-0.9846534132957458
CC(C)(C)C(=O)NCc1ccc(N2CCNC2=O)cc1,-1.3130723237991333
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1013704538345337
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.115609884262085
c1ccc(Cc2cc3c(cn2)CN(Cc2ccccc2)CC3)cc1,-1.191041350364685
O=C(Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1,-1.2509222030639648
Cc1ccc(NC(=O)N2CC[NH2+]C[C@H]2c2ccccc2F)cc1,-1.0104798078536987
[NH3+][C@H]1CCCN(C(=O)Nc2ccc(Cl)c(C3CCCCC3)c2)C1,-0.856157124042511
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.1086673736572266
C[C@H]1CCCN(C(=O)NCC2CCC3(CCCO3)CC2)C1,-1.5389268398284912
O=C(Nc1ccc(F)cc1)N[C@H]1CCOC2(CCCC2)C1,-1.5553433895111084
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1,-0.8002092242240906
CCOc1ccc(NC(=O)c2ccc(C)o2)cc1,-1.694779872894287
O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2F)CC1,-0.5749064087867737
Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c(C)n1,-0.9313827157020569
CC(C)CN=C(O)C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1,-1.229561686515808
Cc1ccc(N2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-1.0029106140136719
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2762751579284668
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.0660845041275024
O=C(C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1,-1.3156883716583252
Cc1nc2ccc(NC(=O)N[C@H]3CCC[C@H](F)C3)cc2s1,-0.8122033476829529
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc([O-])cc1,-1.1846729516983032
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3357316255569458
Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-0.931644082069397
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(S)c1,-1.1101205348968506
O=C(c1ccc(O)cc1)N1CCC[C@H](Oc2ccccc2F)C1,-1.1859703063964844
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,-1.5606114864349365
O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CC[NH+](C2CCCCC2)C1,-0.9523675441741943
CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1,-1.2368640899658203
Cc1ccc(-n2ccc(C(=O)Nc3nnc(C)s3)n2)cc1,-0.8286911249160767
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2391681671142578
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1175167560577393
O=C(NCc1ccccc1)C1CC[NH+](CCCO)CC1,-1.6667784452438354
CCOc1ccc(NC(=O)C(C)(C)C(C)(C)O)cc1,-1.6076325178146362
CC1CC(C)CC(NCC2CCN(c3ccccc3)CC2)C1,-1.2368041276931763
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2205665111541748
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2nc[nH]c2c1,-1.0589921474456787
[NH3+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)C1,-1.090722918510437
c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC[C@@H]([NH+]2CCOCC2)C1,-1.0702224969863892
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.518200397491455
COc1ccc(NCCOc2ccc(Cl)cc2)cc1,-1.592973232269287
O=C(NCc1ccc(O)cc1)NC1CCCCC1,-1.6698007583618164
O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](CC2CCCC2)CC1,-1.0952367782592773
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0433729887008667
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019449710845947
CCN1CCN(C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1,-0.9089722037315369
Cc1ccc(Cl)cc1NC(=O)N1CCC(N2CCOCC2)CC1,-0.9427620768547058
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-1.0553284883499146
COc1ccc(CNC(C)Cc2ccccc2)cc1,-1.6471068859100342
Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.156638503074646
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.417316198348999
O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0241202116012573
O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9213467240333557
N#Cc1ccc(CNC(=O)c2ccc(Cl)c(Br)c2)cc1,-0.9657885432243347
COc1ccc(C(=O)N2CCO[C@H](C)[C@H]2c2ccccc2)cc1,-1.2156051397323608
Fc1ccc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)c(F)c1,-1.0169214010238647
[NH3+][C@H](C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CCCCC1,-1.5044724941253662
CC1(C)CC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.1138360500335693
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.193089246749878
NC(=O)CC[NH+]1CCC2(CCCC2)C1,-1.8100988864898682
C[C@@H](C(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1,-1.349613070487976
CCC1CCN(Cc2ccc(OC(C)C)cc2)CC1,-1.6014899015426636
O=C(c1ccccc1O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2326576709747314
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5796998739242554
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1151338815689087
Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1564644575119019
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2455936670303345
c1ccc(-c2ncccc2C[NH+]2CCC([NH+]3CCCC3)CC2)cc1,-1.1682978868484497
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.1459530591964722
CC[NH+]1CC[C@@H](NC(=O)Nc2ccc(Cl)nc2)C1,-1.402292251586914
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1267160177230835
O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]1C[NH+]1CCCCC1,-1.109427571296692
CS(=O)(=O)c1ccccc1SCC(=O)Nc1ccccc1,-1.5084702968597412
O=C(NCc1ccc(Cl)s1)N1CCOC2(CCOCC2)C1,-1.4624252319335938
CC1(C)CCC[C@H]1NC(=O)c1ccn(-c2ccccc2)n1,-1.2774628400802612
COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,-0.9630208611488342
CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1,-1.3516830205917358
Cc1ccc(C(=O)Nc2ncc(C3CC[NH+](C)CC3)s2)s1,-0.9263730049133301
CC(C)(Cc1ccc(N)cc1)C(=O)NCc1ccccc1,-1.5424587726593018
O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-1.4198198318481445
O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2391386032104492
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.9243893027305603
Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1,-1.5578798055648804
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9793953895568848
C[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1,-1.3073341846466064
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.6351466178894043
O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@H]1c1ccccc1,-0.8658334612846375
CC1CCC(NC(=O)c2cccc(N3CCOC3=O)c2)CC1,-1.3149006366729736
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9905208349227905
O=C(Cc1ccc(I)cc1)NCc1nc2ccccc2o1,-1.189993143081665
O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3965190649032593
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)cc1,-1.597245216369629
Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.0988428592681885
CC1(C)CC[C@H]1C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1,-0.9813789129257202
O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-0.9771618247032166
Cc1ccc(COc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.4685957431793213
Cc1ccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2C)cc1,-0.8363786339759827
Cc1cc(NC(=O)C2CC[NH+](CCO)CC2)cc(C)c1O,-1.2524566650390625
COc1ccc(NC(=O)CCOC2CCSCC2)cc1,-1.5940204858779907
Cc1ccc(-n2ccc(C(=O)NCCC(C)(C)O)n2)cc1,-1.431586742401123
Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1,-1.1291110515594482
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9794259667396545
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.06522798538208
COc1ccc(C(=O)NS(=O)(=O)c2cccc(C)c2)cc1,-1.5069383382797241
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(Br)c1,-1.0700081586837769
O[C@H]1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC12CCCCC2,-0.8965718746185303
O=C1CCC[C@@H](c2ccc(NC(=O)c3ccccc3)cc2)N1,-1.3620829582214355
C[C@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)CC[C@H]1O,-1.5027570724487305
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0417156219482422
Cn1cc(C(=O)NCc2ccc(Cl)nc2)c2ccccc21,-0.8959038853645325
O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.08730947971344
Cc1ccc(CCC(=O)NCc2ccc(O)cc2)c(C)c1,-1.4555695056915283
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3564234972000122
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0012807846069336
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.2255483865737915
O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0969327688217163
CCC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1,-1.5702308416366577
Cc1ccc(CNC(=O)NC2CCCCC2)cc1,-1.663643479347229
CC(C)(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1,-1.1722029447555542
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.128593921661377
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.8690822124481201
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2188831567764282
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2457576990127563
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.301388144493103
C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cn2)CC1,-1.162064790725708
Cc1ccc(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)o1,-1.2560311555862427
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3182144165039062
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.950695276260376
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.132946252822876
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3323196172714233
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.5115615129470825
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9362954497337341
c1ccc(Cn2nnnc2N2CCN(c3ccccc3)CC2)cc1,-1.0858110189437866
Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)no1,-1.2125989198684692
c1ccc(CN2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.233351707458496
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.4401367902755737
c1ccc(CN2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3CC2)cc1,-1.4244557619094849
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653961658477783
CCCCNC(=O)NC1CC[NH+]([C@@H]2CCCOC2)CC1,-1.605918526649475
C[NH+]1CCC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1,-1.3026580810546875
O=C1OCC(Cc2ccccc2)N1Cc1ccc(Cl)cc1,-1.5292586088180542
Cc1ccc(C(=O)N2CCC[NH+](CC3CCCCC3)CC2)nn1,-1.0493615865707397
Cc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2075226306915283
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-1.0285228490829468
[NH]c1ccc(-c2ccc(OCc3ccccc3)c(Cl)c2)cc1,-1.2397286891937256
CC(C)CNC(=O)N1CCN(c2ccc(Cl)c(F)c2)CC1,-0.7559846639633179
O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8118095993995667
Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.0681480169296265
CC[NH+]1CCC[C@H](C(=O)NCc2ccc(Br)s2)C1,-1.1892508268356323
O=C(NCC(O)=NCCc1ccc(F)cc1)c1ccccc1,-1.507983922958374
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2383450269699097
O=C1C[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)CCN1,-1.403400182723999
O=C(NC1CCN(c2ccc(F)cc2Br)CC1)c1ccccc1,-0.8834280967712402
C[NH+]1CCC[C@H](CNC(=O)N2CCCC3(CCCC3)C2)C1,-1.5232744216918945
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1,-0.9208155274391174
Cc1cc2cccc(CNC(=O)CC3CCOCC3)c2o1,-1.449229121208191
Cn1nnc2cc(C(=O)NCc3ccc(Br)cc3)ccc21,-0.8036725521087646
Cc1ccc(C(=O)N[C@H]2C[C@@H](c3ccccc3Cl)C2)cn1,-0.9502631425857544
O=C(COCc1ccccc1)Nc1ccccc1,-1.746695876121521
O=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)C2=CS2)CC1,-1.02382230758667
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571038484573364
O=C(NC1CCCCCC1)N1CCCC[C@H]1c1ccc(F)cc1,-1.2315622568130493
O=C(Nc1cc2ccccc2o1)N1CCC(c2nn[n-]n2)CC1,-0.9303698539733887
C[C@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4265379905700684
Nc1ccc(NC(=O)NCC2CCCCC2)cn1,-1.6103668212890625
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1851332187652588
Cn1cc(C(=O)Nc2cnn(C)c2C(C)(C)C)cn1,-0.9281407594680786
Cn1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)n1,-1.1400773525238037
Clc1ccc(OCCCSc2nc3ccc(Cl)cc3s2)cc1,-0.7776797413825989
O=C(Cc1ccccc1)N[C@H]1CCCN(CC(F)(F)F)C1,-1.4250259399414062
CC(C)Cn1cnnc1C1CCN(C(=O)c2ccccc2)CC1,-1.000902771949768
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3121721744537354
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.1968233585357666
Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.5019922256469727
O=C(NCc1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1,-1.5686808824539185
O=C(C1=CCCC1)N1CCC(OCc2ccc(F)cc2)CC1,-1.516969919204712
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-0.9744418859481812
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0930935144424438
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5012717247009277
Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1,-1.023383378982544
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.559459924697876
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307645797729492
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.1800066232681274
O=C(NCc1ccc(Br)cc1)[C@H]1CC1C1CCC[NH2+]CC1,-1.180896520614624
Cc1ccc(C(=O)NC[C@H](O)c2cccc(Br)c2)c(F)c1,-0.9981499910354614
CC1CCC2(CC1)C[NH+](Cc1csc(-c3ccc(F)cc3)n1)CCO2,-0.898669421672821
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.035753846168518
O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)Nc1ccc(I)cc1,-1.2368947267532349
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4464408159255981
O=C(NCCS(=O)(=O)C1CCCCC1)NC1CCCCC1,-1.5736157894134521
Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1,-1.0715420246124268
O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.6802886724472046
Cc1ccc(COc2ccc(-c3ccccc3)c(C)c2)cc1,-1.3776216506958008
O=C(NCC1CCCCCC1)c1cc2c([nH]c1=O)CCCC2,-1.057384967803955
O=C(c1ccc(F)nc1)N1CCC(Oc2ccccc2Cl)CC1,-0.9182470440864563
O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc2ncsc2c1,-1.0184407234191895
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3358854055404663
CC(C)N=C(O)Cc1ccc(NC(=O)C2CCCCC2)cc1,-1.4005886316299438
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.170825719833374
C[C@@H]1OCC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]1C,-1.2098424434661865
Cc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6861695051193237
O=C(NC1CCCCCC1)c1ccccc1-c1ccc(F)cc1,-1.1809509992599487
CC1(C)CCN(c2ccc(NC(=O)c3ccco3)cc2)C1,-1.5105345249176025
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0650761127471924
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0065497159957886
CN1CCN(c2ccccc2)C1=O,-1.7760648727416992
Cc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1,-1.4057425260543823
CC(=O)N1CCC(C(=O)Nc2ccc3ccccc3n2)CC1,-1.0035080909729004
Cc1ccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)nc1,-1.2727652788162231
CC(=O)NCc1ccc(OC2CCCCC2)cc1,-1.680067777633667
O=C(O)Nc1ccc(OCC2CCCCC2)cc1,-1.68934166431427
O=C(O)C1CCN(C(=O)COc2ccc(O)cc2)CC1,-1.5465803146362305
Clc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1,-0.9789003133773804
Cc1ccc(Oc2ccc(NC(O)=Nc3cc(C)ccc3C)cc2)cc1,-1.016093134880066
Fc1ccc(CN2CCNCC2Cc2ccccc2)cc1F,-1.0970430374145508
O=C1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.1065071821212769
Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.0827984809875488
Cn1cc(C(=O)NCc2ccc(I)cc2)c2ccccc21,-0.9339991807937622
O=C(Nc1cccc2[nH]ccc12)N1CCC([NH+]2CCCC2)CC1,-1.1282646656036377
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238703727722168
Cc1nc(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)no1,-1.1322938203811646
O=C(NCc1ccc(F)c(Cl)c1)N1CC[NH+]2CCC[C@H]2C1,-0.7894999980926514
CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.250118374824524
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1539485454559326
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464820861816406
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5273594856262207
O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5195249319076538
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2373521327972412
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0367376804351807
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-1.0417296886444092
[NH3+][C@@H]1CCC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)C1,-1.105855941772461
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.3526042699813843
N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.2547900676727295
Cc1ccc(O)c(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1,-1.2460097074508667
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2233705520629883
O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.8207091689109802
O=C(NC1CCCCC1)c1ccc(OCCCO)cc1,-1.615913987159729
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.6227128505706787
CCC(C)(C)C(=O)NCc1ccc(N2CCSCC2)cc1,-1.3067363500595093
O=C(N[C@@H]1CCC2(CCC2)C1)c1ccc(-c2ccccc2)cc1,-1.407456874847412
Nc1ccccc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0415804386138916
C[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3ccccc3C2)C1,-1.274831771850586
Cc1ccc(C(=O)NCc2ccc3nc(C)oc3c2)cc1,-1.158744215965271
COc1ccc(CNC2CC2c2ccccc2)cc1,-1.5876470804214478
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1038445234298706
CCn1ncc(C(=O)NCc2ccc(C)cc2)n1,-1.4079903364181519
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1451053619384766
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9814177751541138
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2723748683929443
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1800061464309692
CC1(C)CN(C(=O)NCCCc2ccc(Br)cc2)CCS1,-1.173109769821167
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.488804578781128
Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1615952253341675
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.15481698513031
Cc1ccc(CN2CCC(Cc3ccccc3)CC2C)cc1,-1.4034624099731445
CC(C)[C@@H](O)CNC(=O)c1cc(-c2ccc(Br)cc2)on1,-1.0134271383285522
Cc1ccc(C(=O)NC2C[NH+](C3CCCCC3)C2)cc1O,-1.3190076351165771
Nc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1,-0.8597936034202576
Cc1ccc(O[C@H]2CCN(C(=O)c3cnn(C)c3)C2)cc1,-1.3278783559799194
Cc1ccc(C[C@H]2CCN(C(=O)c3cc(C)on3)C2)cc1,-1.2660720348358154
C[C@@H]1CCC[NH+](CCCC(=O)NCc2ccc(Br)cc2)C1,-1.4534212350845337
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480399131774902
O=C(NCc1cccc(O)c1)c1cn2cc(Cl)ccc2[nH+]1,-1.1441080570220947
O=C(c1ccc(F)cc1)N1CCC(C(O)=NCc2ccccc2)CC1,-1.0820388793945312
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584665596485138
Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)nc2C)c1,-1.0041102170944214
O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.4782347679138184
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.516637921333313
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2732633352279663
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0237008333206177
COc1cccc(CNC(=O)c2cc(Br)c[nH]2)c1,-1.5185973644256592
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9368126392364502
CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1,-1.5062862634658813
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9312463998794556
Cc1cc(F)ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1,-1.0009530782699585
CCc1ccc(C(=O)NCc2noc(C)n2)cc1,-1.481636643409729
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9953097105026245
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9054895639419556
O=C(N[C@H]1CCc2nc(-c3ccccc3)sc2C1)c1ccn[nH]1,-0.7686299085617065
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.9134814739227295
Fc1ccc(CN2CCCCC2Cc2ccccc2)cc1F,-1.1666412353515625
COc1ccc(C2CCN(C(=O)c3cccc(F)c3)CC2)cc1,-1.067880392074585
Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.2143889665603638
CC(=O)Nc1ccc(N2CCN(CC(F)(F)F)CC2)cc1,-1.1236011981964111
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0727391242980957
Cc1ncsc1N=C(O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.6361237168312073
CN1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.2585422992706299
O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](n2ccnn2)C1,-0.8050047159194946
Cc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.2379006147384644
CC(=O)c1ccc(CC(=O)Nc2ccc(C)nc2)cc1,-1.410375952720642
Cc1ccc(C[NH+]2CCN(C(=O)N3CCNC3=O)CC2)cc1,-1.2184053659439087
CCc1ccc(NC(=O)N[C@H]2CCCCC2=O)cc1,-1.577676773071289
C[C@@H]1CCC[C@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2660892009735107
O=C(Nc1nc2ccccc2s1)N1CC[NH+](C2CCCC2)CC1,-0.8780535459518433
N#CC1CCN(c2ccc(COc3ccccc3Cl)cc2)CC1,-1.075591802597046
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1809357404708862
CC[C@@H]1CCN(C(N)=O)C1,-1.8875668048858643
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3C)C2)cc1,-1.103517770767212
C[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC3(CCCC3)C2)C1,-1.5151692628860474
Cc1cc(CC(=O)Nc2scnc2-c2ccccc2)no1,-1.241886019706726
Cc1ccc(C)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1,-1.4342164993286133
Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.179518461227417
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1193875074386597
COC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,-1.521919846534729
CC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1,-0.9098798036575317
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.96621173620224
O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]ccc2c1,-1.3338651657104492
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0661612749099731
CCCCC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.3019722700119019
Cc1ccc(-c2ccc(NC(=O)c3ccccc3N)cc2)cc1,-1.1169112920761108
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9791662096977234
COc1ccc(OCc2ccccc2)cc1,-1.7749916315078735
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3086384534835815
O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9653571844100952
Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.4379650354385376
O=C(Nc1ccccc1O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.1812729835510254
Cc1ccc(CNC(=O)c2c[nH+]c3ccccn23)cc1F,-1.178418755531311
Cc1ccc(CCC(=O)NCc2cc(Br)ccc2N)cc1,-1.2124658823013306
O=C(NC1CCCCCC1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1521735191345215
Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2)cc1,-1.4566529989242554
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)n1,-0.8297936916351318
C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.669973611831665
C[C@H](O)CNC(=O)N1CCN(c2ccc3ccccc3c2)CC1,-1.1550419330596924
C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)C1,-1.3284146785736084
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4750066995620728
O=C(Nc1cn[nH]c1C1CCCCC1)c1ccc2[nH]ncc2c1,-0.8736851215362549
Cc1ccc(NC(=O)c2cnn(C)c2C2CCCC2)cc1,-1.0323164463043213
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3071855306625366
C[C@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.35456120967865
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1Cl,-1.006251573562622
Cc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1N,-1.4784797430038452
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0911920070648193
C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1849682331085205
Cc1ccc(C(=O)Nc2nc(-c3cccs3)c(C)o2)cc1,-1.1335288286209106
CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5716012716293335
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0297307968139648
O=C(NC[C@H](O)c1ccc(F)cc1F)c1ccc(F)cc1,-1.0204952955245972
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.181601643562317
COCCOc1ccc(CN2CCN(C)CC2)cc1,-1.638283133506775
C[NH+](C)C1CCN(C(=O)[C@@H]2CCO[C@H](c3ccccc3)C2)CC1,-1.1800724267959595
CN1CC[C@H](C(=O)Nc2cccc(-c3ccccc3)c2)C1=O,-1.3489785194396973
O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCOCC2)CC1,-0.9833282828330994
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1,-1.2427220344543457
Cc1cc(NC(=O)c2cccs2)nn1-c1ccc(F)cc1,-0.9801027178764343
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1cccc(F)c1,-1.299480676651001
O=C(NCC[NH+]1CCC2(CCCC2)C1)c1ccc(Cl)cc1,-1.4768760204315186
C[C@H]1C[C@H](C)CN(C(=O)c2cc3ccccc3nc2-c2ccccc2)C1,-0.61936354637146
Cc1ccc(N2CCN(C(=O)NCC(C)(C)C)CC2)cc1,-1.2982910871505737
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.068742036819458
CC(C)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1,-1.2097632884979248
Fc1cccc(CCNCc2ccc(Br)s2)c1,-1.4706737995147705
[NH3+]c1ccccc1C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1,-1.0501457452774048
Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,-0.930878221988678
O=C(O)CNc1ccc(N2CCC(c3ccccc3)CC2)cc1,-1.3751273155212402
C[NH+]1CC[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)C1,-1.0292949676513672
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8691934943199158
Cc1ccc(S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1,-1.3654228448867798
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.539745807647705
C[NH+]1CC[C@@]2(C[C@H](CNC(=O)c3ccccc3)CCO2)C1,-1.5853036642074585
Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1Br,-1.0319634675979614
C[C@@H]1CCCCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1,-1.2660990953445435
Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1,-1.1271809339523315
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1093775033950806
O=C1C[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)CCN1,-1.4146558046340942
C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(OC2CCCCC2)cc1,-1.1752156019210815
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5233372449874878
O=C(c1cccnc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.246342658996582
O=C(NC1CCC12CCCCC2)N1CCN(C2CCCC2)CC1,-1.2179642915725708
Oc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,-0.9386466145515442
Nc1ccc(C(=O)NC2CC(c3cccc(Br)c3)C2)cn1,-0.9333782196044922
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1,-0.950668215751648
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1785809993743896
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1,-1.250146746635437
Cc1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0957013368606567
Nc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0445687770843506
C[NH+]1CCN(c2ccc(OCC(=O)N3CCCCC3)cc2)CC1,-1.3686974048614502
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(F)cn1,-0.6821656823158264
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H](O)c1ccccc1,-1.3703511953353882
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.135453701019287
CC(=O)N1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1,-1.085176706314087
Cc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1C,-1.24000084400177
O=C(CCC1CCCCC1)N[C@@H]1CCC[NH+](C2CCCCC2)C1,-1.4730054140090942
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0933314561843872
O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(Br)cc1,-1.316375494003296
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.9283886551856995
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9789382219314575
c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.403404712677002
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.862511932849884
Cc1cc(C(=O)N[C@@H]2CCC[C@H](c3ccc(C)s3)C2)no1,-1.0277937650680542
O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1,-0.8008683919906616
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccccc2O)cc1,-1.2003674507141113
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.043582797050476
C[C@@H]1C[NH+](CCNC(=O)c2ccc(Br)cc2O)C[C@@H](C)O1,-1.1515370607376099
CN1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.273162603378296
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1,-1.0495033264160156
O=C(Nc1cc(F)ccc1Cl)c1cccc(N2CCOCC2)c1,-0.965628981590271
NS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-1.0684864521026611
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)cn1,-1.074777364730835
CC(C)(C)c1ccc(NC(=O)c2ccc(F)nc2N)cc1,-0.80718594789505
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9881398677825928
C[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC3(CCOCC3)C2)C1,-1.541823148727417
Cc1ccc(NC(=O)Nc2cccc3c2O[C@H](C)C3)cc1,-1.27940034866333
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0874524116516113
Cc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.1687474250793457
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2384555339813232
CC(C)[C@H](C(=O)NCc1ccc(Br)cc1)[NH+]1CCOCC1,-1.2808243036270142
O=C(O)CN=C(O)c1ccc(OCc2ccccc2)c2ccccc12,-1.1192930936813354
C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5585405826568604
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5485076904296875
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2878073453903198
O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9719956517219543
O=C(Cc1ccccc1F)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.3929448127746582
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)n1,-0.8171792030334473
O=C(Nc1nc2ccccc2o1)N1CC[C@@H](c2ccccc2)C1,-1.1706316471099854
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299248218536377
O=C(NCc1ccc(F)cc1)c1cn2cc(Br)ccc2[nH+]1,-1.0003464221954346
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1Cl,-0.7912278771400452
Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.2514652013778687
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-0.9802051782608032
Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2C2CCCCC2)c(C)c1,-1.084818959236145
Cc1ccc(CN=C(O)C2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2668709754943848
O=C(Cn1nnc2ccccc21)NCc1ccc(Cl)cc1,-1.0712753534317017
c1ccc(NCC[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-1.0790773630142212
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0837522745132446
Cc1nc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1,-1.0430269241333008
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3756638765335083
C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CCCc3ccccc32)CCO1,-1.2600911855697632
COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-1.0126687288284302
Cc1cc(Br)ccc1C(=O)N1CCC[C@H](CN2CCCCC2)C1,-0.8625768423080444
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.1548452377319336
CC(C(=O)O)C(=O)NCc1cc(-c2ccccc2)no1,-1.583932876586914
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCOCC1,-1.1382718086242676
C[C@](O)(CNC(=O)Cc1cccc(I)c1)c1ccccc1,-1.4916164875030518
Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)s1,-0.8498957753181458
O=C(Cc1cccc(Cl)c1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.3186033964157104
O=C(Nc1ncccc1Br)c1ccc(-c2ccc(Cl)cc2)cc1,-0.7702245116233826
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1,-1.090192437171936
Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0646014213562012
c1ccc([C@@H]2CCCC[NH+]2Cc2nnc(N3CCCCC3)s2)cc1,-0.9143916964530945
Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C)o2)cc1,-1.382582187652588
COc1ccc(C(=O)NCc2ccc(C)s2)cc1,-1.572890281677246
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.039974570274353
Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9907376766204834
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2occc2n1,-0.8527897000312805
Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)no1,-1.3521597385406494
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1879737377166748
O=C(Nc1nnc2ccccn12)c1ccc(-c2nn[n-]n2)cc1,-0.7596945762634277
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3605848550796509
O=C1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCN1,-1.349825143814087
C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9462663531303406
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6726586818695068
C#CCOc1ccc(CNC2CCCCCCC2)cc1,-1.645188808441162
O=C(Nc1nc2ccccc2s1)N1CCCC[C@@H]1C1CCCC1,-0.8401456475257874
CC(C)[C@H](C)C(=O)NCc1ccc(-c2nnnn2C)cc1,-0.7976424098014832
CC(C)(C)C[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]1C1CCOCC1,-1.5291199684143066
C[NH+]1CCN(C(=O)CNc2cccc(-c3ccccc3)c2)CC1,-1.4814643859863281
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1442720890045166
Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9393748641014099
CCCCOc1ccc(NC(=O)c2occc2C)cc1,-1.619558334350586
Cc1cc(C(=O)N2CCC(Cc3csc(C)n3)CC2)co1,-1.0431056022644043
O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21,-1.1177048683166504
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.137595534324646
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Br,-0.8152143359184265
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1,-1.2200652360916138
O=C(Cc1cccs1)Nc1nc(-c2ccc(Br)cc2)cs1,-0.9976485371589661
Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.6545294523239136
Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(Br)c1,-1.2897964715957642
Nc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(O)c1,-1.1451117992401123
Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4633687734603882
Cc1ccc(CC(=O)Nc2ccc(OC(F)F)cc2)cc1,-1.498632550239563
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.575179934501648
O=C(NCc1ccc2[nH]c(=O)oc2c1)c1ccccc1,-1.5792629718780518
Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.0201551914215088
c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0681558847427368
Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1383535861968994
Cc1cccc(NCCc2cn(C)nc2-c2ccccc2)c1,-1.2588329315185547
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.445454716682434
NC1(c2ccccc2)CC(OCc2ccccc2)CC1=O,-1.5662533044815063
C[C@H]1CN(C(=O)c2ccccc2Cl)CC[NH+]1Cc1ccccc1,-1.0147327184677124
Cc1ccc(C(=O)NC(C)(C)C)c(Cl)c1,-1.3205335140228271
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,-1.04604172706604
O=C(Nc1ncccc1Cl)[C@@H]1CCC[C@H](c2ccc(F)cc2)C1,-0.7250619530677795
Oc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)cc1,-1.3044373989105225
O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.49063777923583984
C[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1,-1.4921146631240845
O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1,-0.9997702240943909
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1626168489456177
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0685514211654663
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0705894231796265
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-1.0324078798294067
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1250216960906982
CC(C)Oc1ccc(NC(=O)c2ccc[nH]2)cc1,-1.6523246765136719
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1779663562774658
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1F)c1ccc(F)cc1,-0.8813139200210571
O=C(N[C@@H]1CCCO[C@H](c2cccc(F)c2)C1)C1CCCCC1,-1.434751033782959
O=C(Nc1ccc(Cl)nn1)C1(c2cccc(Br)c2)CCC1,-0.7888618111610413
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4432122707366943
CC(C)CC[NH+]1CCC(NC(=O)c2cc(Cl)n(C)n2)CC1,-0.7571101784706116
O=C(Nc1cccc(O)c1)C1CCN(c2ccccc2F)CC1,-1.0810904502868652
O=C(CC(F)(F)F)Nc1ccc(Cc2ccccc2)cc1,-1.501226782798767
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961254358291626
Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.042393445968628
O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.913860559463501
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3594639301300049
CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.368883490562439
COc1ccc(N2CCC(NC(=O)C(C)(C)F)CC2)cc1,-1.2204710245132446
COCc1ccc(C(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.51449716091156
C[NH+]1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.3659449815750122
Cc1cc(Br)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-0.9518190622329712
CCOc1ccc(C(=O)Nc2cc(C)on2)cc1,-1.6254189014434814
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.37277090549469
Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)CCO3)cc1,-0.9329121708869934
Fc1ccc(C[NH+]2CCNCC2)cc1,-1.7680035829544067
COc1ccc(CNC(=O)N2CCCCC[C@@H]2C)cc1,-1.546600341796875
Cc1onc(-c2ccc(F)cc2)c1-c1nc(-c2ccc(Cl)cc2)no1,-0.4610775411128998
O=C(Nc1ccc2[nH]ncc2c1)c1ccn(-c2ccccc2)n1,-1.0613933801651
Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.379590392112732
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9555018544197083
O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.138728141784668
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095362663269043
Cc1ccc(CN2CCC(CN3CCC(C)CC3)CC2)cc1,-1.3606715202331543
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0959237813949585
O=C(c1cc(O)c2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5404426455497742
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.939745306968689
CCc1c(CN2CCN(c3ccccc3)CC2)oc2ccccc12,-1.0408397912979126
COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0580941438674927
O=C(Nc1cnn(-c2ccccc2)c1)c1cc2ccccc2[nH]1,-1.1634091138839722
O=C(Cc1ccc(O)cc1)NCC(=O)c1ccccc1,-1.596418023109436
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Cl)c2)n[nH]1,-1.023598551750183
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0424505472183228
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2951699495315552
Cc1ccc(C(=O)N2CC[C@]3(COCCN(c4ccccc4)C3)C2)cc1,-1.2524816989898682
O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccccc1,-0.93718421459198
CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2251163721084595
O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1,-1.2702394723892212
Cc1ccc(C(=O)N[C@H]2CCN(c3nnc(C)s3)C2)cc1,-0.8696439862251282
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1530894041061401
Nc1ccc(-c2ccc(C(=O)N[C@H]3CCCC[C@H]3O)cc2)cc1,-1.1104625463485718
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2nc[nH]c2c1,-1.08233642578125
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1F)C1CCCCC1,-0.8911575078964233
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1806001663208008
O=C(Cc1ccccc1)N[C@H]1CCCN(c2ccccc2Cl)C1,-1.2185100317001343
Cn1cc(C(=O)Nc2ccc(F)cc2)c(C2CCCC2)n1,-1.1074191331863403
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679363250732422
Cc1nc2cc(C(=O)NC[C@@H]3CCCC3(C)C)ccc2o1,-1.0134238004684448
Cc1ncc(-c2ccc(F)cc2)c(NCC2CCOCC2)n1,-0.8981367945671082
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8989166021347046
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1Cl,-0.6686239838600159
Cc1ccccc1C(=O)N[C@H]1CC[C@@H](c2ccccc2)[C@H](C)C1,-1.171807050704956
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1541409492492676
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0038403272628784
CO[C@@H]1CCC[C@@H](CNC(=O)c2cc(Cl)co2)C1,-1.566272497177124
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.1099151372909546
C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc([NH3+])cc2)cc1,-1.1486384868621826
O=C(CSCc1ccccc1)Nc1ccccc1,-1.6977243423461914
O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Br)c(F)c1,-1.2305753231048584
CC1(C)CC[C@@H](NC(=O)N2CCC[C@H]2C2CCCCC2)C1,-1.2614935636520386
C=CCN=C(O)N(C)c1ccc(NCC2CCCCC2)cc1,-1.460341453552246
Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)cn1,-1.448774814605713
Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2[nH]1,-0.8608110547065735
Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-1.0432955026626587
O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.489013671875
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1,-1.2093136310577393
CC(C)N=C(O)Cc1ccc(NC(=O)c2ccccc2)cc1,-1.4812421798706055
O=C(NCCc1ccccc1)N1CCOCC2(CCCCC2)C1,-1.5650690793991089
Fc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1Br,-1.22449791431427
Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.032857894897461
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458240985870361
O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8775453567504883
Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.2576419115066528
C[NH+]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3)CC2)C1,-1.359552025794983
O=C(NCc1ccc(Cl)cc1)C(=O)N1CCC(O)CC1,-1.3434301614761353
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.036613941192627
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526795625686646
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1572346687316895
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9858641624450684
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904536485671997
O=C(CSc1ccccc1)NCc1ccccc1,-1.688287377357483
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2927415370941162
CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5635111331939697
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382896900177002
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]ccc2c1,-1.099518060684204
Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0907628536224365
O=C(Nc1ccccc1)C(=O)N1CCC(n2cccn2)CC1,-1.3914752006530762
COc1ccc(C(=O)N2CCC(c3ccc([O-])cc3)CC2)cc1,-1.137741208076477
Fc1ccc(Cc2nc(-c3ccccc3C3CC3)no2)cc1,-0.973063588142395
O=C(C1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2298359870910645
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689173102378845
Cc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1,-1.1187547445297241
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9844889640808105
O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.5913029909133911
CC(C)C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.2234175205230713
O=C(N1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H](O)C1,-1.4626086950302124
CN(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.2301278114318848
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2F)CC1,-0.9637673497200012
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3641477823257446
CC1CN(c2ccccc2OCc2ccccc2)CCN1C,-1.3184289932250977
Cc1nc2ccc(CNC(=O)[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9332841634750366
Cn1ccc(OCC(=O)Nc2ccc3ccccc3c2)n1,-1.4231394529342651
CCC[C@@H](C)C(=O)NCc1noc(-c2ccc(Br)cc2)n1,-0.9230592250823975
C[C@@H]1CCC[C@H](CNC(=O)c2c[nH]c3ccc(Br)cc23)C1,-0.862632691860199
Cc1cc(NC(=O)c2cccc(C(=O)O)c2)ccc1N,-1.2002296447753906
Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1,-1.1899358034133911
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1334664821624756
O=C(c1ccc(F)cc1)[C@@H]1CCCCN1C(=O)c1ccc[nH]1,-1.1855665445327759
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2cccc(F)c2)C1,-1.3410290479660034
O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1577863693237305
CC[NH+]1CC[C@H](NC(=O)Nc2ccc(Br)cc2)C1,-1.4706439971923828
O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.241431474685669
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3389030694961548
Fc1ccc(CNc2ccc(Cl)cc2)cc1,-1.6197125911712646
Cc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1,-1.2386817932128906
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.050390601158142
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.4578927755355835
C[NH+]1CCN(c2ccc(NCc3ccc(I)cc3)cc2)CC1,-1.1635688543319702
COc1ccccc1CNC(=O)c1ccc(Cl)o1,-1.5652304887771606
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706586837768555
CCc1ccc2c(c1)C[C@@H](NC(=O)Cc1cccs1)CS2,-1.0856784582138062
Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2C)cc1,-0.8758872151374817
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.155679702758789
Cc1nc(CNC(=O)CNc2ccccc2)cs1,-1.5948041677474976
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2718316316604614
O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(F)cc2F)CC1,-0.6344615817070007
COc1ccccc1S(=O)(=O)NC(=O)c1ccc(I)cc1,-1.2830255031585693
CN1C[C@H](NCc2ccccc2-c2ccccc2)CC1=O,-1.3666810989379883
Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.7897549271583557
Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)s1,-1.0063037872314453
O=C(NC1CC(O)C1)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.310213565826416
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934225678443909
Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9703046083450317
O=C(NC[C@H](O)Cc1ccc(F)c(Cl)c1)c1ccccc1,-1.3902794122695923
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2059926986694336
O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,-0.9592822194099426
O=C1C[C@@H](NC(=O)C2CCC(c3ccccc3)CC2)CCN1,-1.265437126159668
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1O,-1.075257420539856
O=C(CC1CCOCC1)N[C@@H]1CCCC[C@@H]1c1ccccc1Cl,-1.2495354413986206
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1851980686187744
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9846864938735962
C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.1895227432250977
O=C(NCC1CC1)N1CC[C@H](c2ccccc2)C1,-1.612680435180664
O=C(CCCCc1ccc(Br)cc1)Nc1ccc(Cl)cc1,-1.4549437761306763
O=C(Cc1cccc(O)c1)NC[C@H](O)Cc1ccccc1,-1.5969198942184448
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1,-1.4366768598556519
NC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1881892681121826
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9249469637870789
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987528324127197
Nc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9455815553665161
O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2cccs2)CC1,-1.2380833625793457
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975675106048584
O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[nH]cnc2c1,-1.0385693311691284
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0397367477416992
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8781797289848328
CC(C)Cc1ccc(C(=O)N[C@@H]2CCC3(CC[NH2+]CC3)C2)cc1,-1.354554533958435
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1210060119628906
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9788094162940979
Cc1ccccc1N1CCC(NC(=O)N2CC[NH+](C)CC2)CC1,-1.0723462104797363
O=C(Cc1ccc(Cl)cc1F)N[C@@H]1CCC[NH+](C2CC2)C1,-0.8914649486541748
N#Cc1ccc(NC(=O)c2ccc(-c3nccs3)cc2)cc1,-1.1814188957214355
C[NH+]1CCC(CNC(=O)N2CCCC3(CCCC3)C2)CC1,-1.563721776008606
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238641738891602
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0058132410049438
O=C(Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1,-1.5009479522705078
Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2s1,-0.8760560154914856
O=C(NC1(c2ccccc2)CCCCCC1)c1ccc(Br)cc1,-1.3664085865020752
Cc1cc(NC(=O)c2ccn(-c3ccc(I)cc3)n2)no1,-1.0920329093933105
O=C(N[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)cc1,-0.9283974766731262
Cc1ccc(-c2nc(C(=O)NC3CC[NH+](C)CC3)cs2)s1,-0.8743962645530701
O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2[nH]cnc2c1,-0.747677206993103
Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.510783314704895
C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1414965391159058
CCOC(=O)c1ccc(NC(=O)C(C)C)cc1,-1.6496176719665527
C[C@H]1CCCCN1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9667350649833679
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0156505107879639
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700130462646484
CC1CCCC(C(=O)NCC(=O)c2ccc(Cl)cc2)C1,-1.1153621673583984
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2381495237350464
O=C(Cc1cccc(I)c1)N1CCC(Nc2ccccc2)CC1,-1.2193007469177246
O=C(c1ccc2c(c1)OCCCO2)N1CCC(c2ccc(Cl)cc2)CC1,-0.7458826899528503
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4715627431869507
CC(C)[C@H](C(=O)NCc1ccc(I)cc1)c1ccccc1,-1.208624243736267
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.127740740776062
CC[C@@H]1CCCN1C(=O)NCc1ccc(Br)cc1,-1.403626561164856
O=C(Nc1ccc(N2CC[C@H](O)C2=O)cc1)c1ccccc1,-1.3189762830734253
Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(F)c1,-0.9391874670982361
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1211551427841187
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3275997638702393
O=C(C[NH+]1CCCCCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5204938650131226
Cc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1,-1.498140573501587
C[C@H]1C[NH+](Cc2cccc(O)c2)CCN1Cc1ccccc1,-1.5389008522033691
Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1932368278503418
Cn1cc(CNC(=O)c2ccc(Br)cc2)c2ccccc21,-0.9415451884269714
C[C@@H]1C[C@H](CNC(=O)N2CCCC3(CCCC3)C2)CCO1,-1.5401464700698853
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1693553924560547
O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(Br)cc2Cl)C1,-0.8842409253120422
Cc1ccc(NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1,-1.4918781518936157
CC1CCCCC1OCCNCc1ccc(Cl)cc1,-1.5566949844360352
Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2273750305175781
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ncccc2O)CC1,-1.006901741027832
O=C(C[NH+]1CCCN(c2ccccc2)CC1)Nc1ccccc1,-1.5285202264785767
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904525756835938
Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-0.905572772026062
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1,-1.4463121891021729
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1814875602722168
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4069676399230957
O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC2(CCCCC2)O1,-1.5128400325775146
O=C(CCc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1,-1.505241870880127
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.057005763053894
Cc1ccc(OC2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.3889427185058594
COc1ccc(CC(=O)Nc2cc(Cl)c(N)cc2O)cc1,-1.1365596055984497
Nc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1,-1.1409413814544678
O=C(c1ccc(F)cc1Cl)N1CCN(CC2CCCCC2)CC1,-0.7813147306442261
[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9201697707176208
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.106015920639038
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8480105996131897
Fc1cc(CNc2ccc(C(F)(F)F)cc2)ccc1Br,-0.9059411883354187
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4119744300842285
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.083767056465149
Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1F,-1.213528037071228
CCCCN=C(O)C1CCCN(C(=O)COc2ccc(C)cc2)C1,-1.4821923971176147
COc1ccc(N2CCN(C=O)CC2)cc1,-1.7011383771896362
O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC(F)(F)C1,-0.8938037753105164
CC(C)(C)[C@@H]1CC(=O)CC[C@H]1NC(=O)c1ccccc1,-1.3092371225357056
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)nc1,-1.182466745376587
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(I)cc1,-1.1691449880599976
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3505346775054932
C[C@@H]1C[NH+](CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H](C)O1,-0.9468189477920532
Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5722123384475708
Cc1cccc(CNC(=O)c2cc3ccc(F)cc3o2)n1,-1.0355896949768066
O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1,-0.9949082136154175
Clc1ccc(C[C@H]2CCCN(Cc3ccc(Br)cc3)C2)cc1,-1.0932904481887817
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0314280986785889
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cc(F)ccc1F,-0.9181625843048096
C[NH+]1CCN(c2cccc(COc3ccc(Br)cc3)c2)CC1,-1.2458654642105103
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1677709817886353
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0112065076828003
O=C(c1cc(F)c(F)c(F)c1)N1CCC(c2ccc(F)cc2)CC1,-0.34513893723487854
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9772046804428101
CN1CCN(c2ccc(COc3ccc(N)cc3)cc2)CC1,-1.3594197034835815
CC(=O)Nc1ccc(NC(=O)CCCC(C)(C)O)cc1,-1.6280368566513062
O=C(NCc1cc(Cl)ccc1Cl)N1CCC2(CCCC2)C1,-0.9908925294876099
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.2311627864837646
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.2924821376800537
CCOc1ccc(Cc2ccc(OC)c(C)c2)cc1,-1.5700228214263916
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.1136263608932495
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0708067417144775
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5760027170181274
O=C(NCC(O)=NCCc1ccccc1)c1ccc(F)cc1,-1.5096819400787354
O=C1C[C@H](Cc2ccc(Br)cc2)CN1Cc1ccccc1,-1.4024548530578613
O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2Cl)CC1,-0.9470124244689941
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.1868165731430054
[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9613533616065979
Cc1cccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4c3)CC2)c1,-0.5797231793403625
CCCCc1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1,-1.52129065990448
O=C(CNC(=O)c1ccc2[nH]ccc2c1)c1ccc(F)cc1,-1.1073156595230103
O=C(OCc1ccccc1)c1ccc2[nH]c(=O)oc2c1,-1.580910563468933
Cc1cccc(CNC(=O)N2CCc3nc(C)sc3C2)c1,-0.8027276396751404
CC(C)(O)CNC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-1.3300859928131104
Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2s1,-0.877467155456543
O=C(NCc1ccc(Cl)cn1)c1ccc2c(c1)OCCO2,-1.1212974786758423
CCCCc1ccc(NC(=O)N2CCC3(CCCCC3)C2)cc1,-1.5037225484848022
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8955381512641907
Fc1ccc(NCC2CCN(c3ccccc3)CC2)cc1Cl,-1.0525482892990112
O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0843933820724487
Oc1cc(OCc2ccccc2)cc(-c2ccccc2)c1O,-1.409202218055725
Nc1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-0.9709770083427429
COc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)[C@@H](C)C2)cc1,-1.035763144493103
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.239052653312683
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9758445620536804
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9667598009109497
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3358839750289917
C[C@@H]1CCCCN1CC(F)(F)F,-1.6839667558670044
O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.245519995689392
Cc1ccccc1CSc1nnc(C)n1-c1ccc(Cl)cc1,-0.6652154326438904
COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.5806080102920532
Nc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1N,-1.046526551246643
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.422074556350708
O=C(Cc1ccc(F)c(F)c1)NC[C@@H](O)c1ccccc1,-1.324586272239685
O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,-0.8711026310920715
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1728274822235107
Cc1ccc(N2CCCC2=O)c(NC(=O)C2CCCCC2)c1,-1.2035422325134277
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1,-0.858226478099823
Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9533379077911377
Cc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C,-1.528602123260498
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-1.0252759456634521
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4585041999816895
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1430460214614868
COc1ccc(NC(=O)N2CCC3(CC2)C[C@@H](C)O3)cc1,-1.5460726022720337
Cc1ccc(Cl)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1530025005340576
Fc1ccc(Nc2cc(Oc3ccc(Br)cc3)ncn2)cc1,-1.0459641218185425
O=C(Nc1cccc(O)c1)N1CCN(c2ccccc2F)CC1,-1.1110552549362183
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526803970336914
COc1ccc(NC(=O)C[NH+]2CCC3(CCCC3)C2)cc1,-1.5812571048736572
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1,-1.318881869316101
O=C(NC1CN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.037858486175537
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1365350484848022
O=C(Nc1ccccc1O)N1CCN(c2ccc(O)cc2)CC1,-1.167847990989685
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.3628770112991333
c1ccc(-c2nc(CNC[C@H]3CCOC3)cs2)cc1,-1.5665955543518066
c1coc(C[NH+]2CCN(c3ccc(N4CCCCC4)cc3)CC2)n1,-1.435791015625
COc1ccc(CNC(=O)[C@@H]([NH3+])C(F)(F)F)cc1Br,-0.9867188930511475
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2008006572723389
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748047590255737
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(O)cc1,-1.3114463090896606
COc1ccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1,-1.114701271057129
Cc1ccc(-c2nnc(SCc3ccc(F)cc3F)o2)cc1,-0.8399555683135986
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8821142315864563
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858164072036743
Fc1ccc(N2CCC(COc3cccc(F)c3)CC2)cc1,-1.2598416805267334
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2630712985992432
O=C(CSc1ccccc1)NCc1ccccc1,-1.6873213052749634
C[NH+]1CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1,-1.4738519191741943
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0373557806015015
C[C@H]1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)CC[NH+]1C,-1.516406774520874
Cc1ccc(CNc2ccc(-c3ccc(S)cc3)cc2)cc1,-1.3173571825027466
CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC(=O)C2)cc1,-1.2795722484588623
O=C(Nc1ccc(O)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-1.0200538635253906
Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1,-1.6543489694595337
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0111726522445679
CCc1c(C(=O)Nc2nnc(C)s2)cnn1CC,-0.7887308597564697
CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.2130179405212402
O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9604108929634094
Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0426217317581177
CC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1,-1.0817875862121582
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023327112197876
CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1,-1.086585283279419
Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)nn1,-0.9783943891525269
C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.3187817335128784
CC(C)(C)C(=O)NCc1cccc(N2CCOC2=O)c1,-1.440372109413147
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0931040048599243
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3862030506134033
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0273261070251465
c1ccc(-c2nc(C[NH+]3CCCC[C@@H]3c3ccccc3)ns2)cc1,-0.9663162231445312
COc1ccc(C2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-1.0886919498443604
O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.3411885499954224
O=C(c1ccc(O)cc1)N1CC2(CCN(c3ccc(F)cc3)C2)C1,-1.0392042398452759
Cc1cccc(C)c1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.9858763217926025
O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)cc1,-1.238222360610962
Fc1ccc(-c2nc(COc3ccc(Cl)cc3Cl)no2)cc1,-0.7556800842285156
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0717077255249023
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)NCc2ccccc2)C1,-1.467795491218567
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.8708458542823792
Cc1ncoc1CNC(=O)Nc1cccc(Br)c1,-1.5396541357040405
Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.056760311126709
Cc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)on1,-1.0636825561523438
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.883375346660614
C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC23CCCCC3)C[C@@H](C)O1,-1.4973136186599731
CC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+](C)C2)CC1,-1.2968707084655762
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1045591831207275
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2336448431015015
CCc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1,-1.0280673503875732
Cc1cc(N)ccc1CNC(=O)CCc1cccc(Br)c1,-1.1299229860305786
Cc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.170575499534607
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0656565427780151
O=C(c1ccccc1O)N1CCC(Cc2cccc(Br)c2)CC1,-1.023943305015564
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.1788959503173828
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.0282652378082275
CCC[NH+]1CCC[C@@H](NC(=O)NC2CCCCCC2)C1,-1.601227045059204
O=C(c1ccccc1)N1CCOC2(CCN(c3ccc(F)cc3)CC2)C1,-1.2813775539398193
C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.336915135383606
COc1ccc(C(=O)N[C@@H](C)c2ccccc2F)cc1,-1.3088222742080688
Fc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(Br)cc2)cc1,-1.2514300346374512
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8255029916763306
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3515006303787231
O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCCC1,-1.033328652381897
CC1CCCN(c2ccc(CNc3ccc(Cl)cc3)cc2)C1,-1.176528811454773
Fc1ccc(OCc2nc(-c3ccc(Cl)cc3F)no2)cc1,-0.8437091112136841
O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2Cl)cc1,-0.8601089715957642
O=C(C(Cl)c1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.2916452884674072
C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3332902193069458
Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Br,-1.0040496587753296
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517657518386841
CC(C)(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCCO1,-1.5300865173339844
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0549280643463135
Cc1ccc(NC(=O)C2CCN(c3ccccc3C)CC2)cc1,-1.116827130317688
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9603972434997559
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1412339210510254
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4284530878067017
O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1,-1.1915143728256226
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0921412706375122
O=C(Nc1ccccc1)C(=O)Nc1ccc(Br)c(F)c1,-1.262590765953064
O=C1C(Nc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.3105792999267578
O=C(c1ccc(Br)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0631903409957886
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3404881954193115
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1755305528640747
O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(Br)c1,-1.1632566452026367
CCc1nc(CNC(=O)c2ccc(F)cc2)no1,-1.5252083539962769
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7728959918022156
CCc1ccc(C(=O)NCc2csc(Br)c2)cc1,-1.499483585357666
Cn1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1,-1.0988433361053467
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.4736425876617432
NC(=O)Nc1ccc(NCc2ccccn2)cc1,-1.6418946981430054
Cc1cccc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1,-1.1080832481384277
CCOc1ccc(NC(=O)N2CCCCC2=O)cc1,-1.594558596611023
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC(O)C1,-1.3684200048446655
C[NH+]1CCN(CCC(=O)NCCc2ccc(Cl)cc2)CC1,-1.4944814443588257
Cc1cccc(C)c1CC(=O)NCc1ccc(Br)cc1F,-0.788006603717804
CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.6190369129180908
O=C([C@@H]1CCC[C@H](F)C1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9191539287567139
CC(C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O,-1.585303544998169
CC(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1,-0.8087849020957947
O=C(c1ccc(F)cc1)N1CC[NH+](CCc2ccccn2)CC1,-1.2158833742141724
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1O,-1.1217442750930786
CC1(C)CN(C(=O)NCc2cc3ccccc3o2)CCO1,-1.5367530584335327
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2412606477737427
CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.315226435661316
Cn1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.146834135055542
Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1199225187301636
CC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1,-1.2359741926193237
O=C(NCCOc1cccc(Br)c1)c1ccc[nH]1,-1.5719759464263916
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1176308393478394
c1ccc(N2CC[NH+](Cc3nccn3-c3ccccc3)CC2)cc1,-1.2642966508865356
CC(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4172967672348022
O=C(CCCOc1ccc(Br)cc1)Nc1ccc(F)cc1,-1.456620216369629
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4725819826126099
CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3015984296798706
O=C(Oc1ccc(F)cc1)c1ccccc1CC(F)(F)F,-1.1369587182998657
Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1,-1.1293104887008667
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641448259353638
O=C(NCCCc1ccc(I)cc1)N1CCc2ccccc2C1,-1.0491398572921753
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961398601531982
O=C(Nc1ccc(Cl)nc1)N1CCOC[C@H]1c1ccccc1F,-0.9066919684410095
Cc1cc(NC(=O)Nc2nc3ccccc3s2)ccc1F,-0.8830980658531189
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.506973385810852
Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.8583073019981384
CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1,-1.4053000211715698
O=C(NC1CCN(c2c(F)cccc2F)CC1)c1ccccn1,-0.8356946110725403
C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.3126482963562012
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.391671895980835
O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CC[NH+]2CCC[C@H]2C1,-0.8177903294563293
O=C(NCc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1,-1.2501388788223267
Cc1nc2ccc(NC(=O)c3csc(C4CC4)n3)cc2[nH]1,-0.6607603430747986
O=C(c1ccc(O)cc1F)N1CCC(OC2CCCCC2)CC1,-1.2099250555038452
OC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.7206189632415771
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9808155298233032
CC1(C)CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2)C1,-1.4943689107894897
C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.2726268768310547
C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.373315691947937
CC1CCN(C(=O)N2CC[NH+](CCC3CCCCC3)CC2)CC1,-1.2562845945358276
CC1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2163727283477783
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.524361252784729
Cc1cc(Cl)ccc1NC(=O)NC[C@H]1CCCO1,-1.5871434211730957
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.019453763961792
Cc1ccc2sc(C(=O)NCc3ccc(Br)cc3)cc2c1,-0.9074050784111023
CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8529725670814514
O=C(Nc1nc(-c2ccccc2)ns1)c1cc2ccccc2o1,-0.9445763826370239
CC(C(=O)N1CCC(OC(=O)C(C)(C)C)CC1)C(C)(C)C,-1.119973063468933
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.1689870357513428
CCc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9978259205818176
c1ccc(C[NH+]2CCC[C@H](C[NH+]3CCc4ccccc4C3)C2)cc1,-1.310455560684204
O=C(NC[C@H]1CCOC2(CCCC2)C1)c1ccc(O)cc1,-1.5686304569244385
C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1N1CC[NH+](C)CC1,-0.926127016544342
CC1CCN(C(=O)CCc2ccc(OCC(=O)O)cc2)CC1,-1.5065855979919434
Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1,-1.5014641284942627
C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.8535973429679871
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4380916357040405
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2522886991500854
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0549136400222778
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)[nH]1,-1.0954113006591797
O=C(c1ccc(F)cc1F)N1CC[NH2+]C[C@@H]1Cc1ccccc1,-1.0461989641189575
C[NH+]1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2F)C1,-0.9726997017860413
Cc1nnc(NC(=O)C(=O)Nc2ccc(F)cc2Cl)s1,-0.8023460507392883
O=C(COc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1,-1.2289972305297852
C1CCC2(CC1)CCCO2,-2.0095982551574707
CC(=O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.629782795906067
Cc1ccc(C2CCN(C(=O)Nc3ccn(C)n3)CC2)s1,-0.9748514294624329
Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2o1,-1.091511607170105
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCC[C@@H](O)C1,-1.1387379169464111
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(F)c1,-1.295670986175537
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4309157133102417
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0566059350967407
C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCO1,-1.4850298166275024
CC(=O)Nc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1,-1.2562148571014404
O=C(c1ccccc1Br)N1CCC(Oc2ccc(F)cc2)CC1,-0.9814665913581848
O=C(NCC(O)c1ccc(Cl)cc1)c1ccc(F)cc1F,-1.0546679496765137
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nc2)cc1,-1.0506904125213623
C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0134820938110352
CC(=O)Nc1ccccc1NCc1ccccc1,-1.6684396266937256
Cc1ccc(NC(=O)NC[C@H]2CCCOC2)cc1,-1.6791610717773438
Cc1cccnc1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8812417984008789
Nc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1,-1.2495163679122925
Cc1cccc(C[NH+]2CCCC[C@H]2Cc2ccc(F)cc2)c1,-1.3092596530914307
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0834617614746094
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1211177110671997
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.2472913265228271
Cn1ncc2ccc(C(=O)NCc3ccc(Br)cc3)cc21,-0.9013047218322754
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3734617233276367
Cc1ccc(CNC(=O)CCCN2CC[NH+](C)CC2)cc1,-1.5491002798080444
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9759300351142883
C[C@@H]1C[NH+](CCNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1,-1.4288887977600098
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278353691101074
Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(C)c1O,-0.5825144052505493
CCOc1ccc(OCC(O)=Nc2cccc(C#N)c2)cc1,-1.5284751653671265
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1800665855407715
Nc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1,-1.0613125562667847
O=C(NCc1cccc(F)c1)N1CCC2(CCOCC2)C1,-1.5428407192230225
Cc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.3602441549301147
C[C@@H]1CCCCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1,-1.2769933938980103
NC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1,-1.4496721029281616
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cn(-c2ccccc2)nn1,-0.9654833674430847
Nc1cc(F)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.1079723834991455
O=C(Cc1ccccc1)Nc1ccc(CC(F)(F)F)cc1,-1.5535253286361694
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.930069088935852
Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-1.0461989641189575
C[NH+]1CCC(C(=O)NC2CC[NH+](C3CCCCCC3)CC2)CC1,-1.227994441986084
O=C(NC1CCN(c2cc(Cl)ccc2F)CC1)c1ccccc1,-1.0098611116409302
Cc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2)c1,-1.4029954671859741
Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1,-1.5348294973373413
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1577092409133911
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4999643564224243
O=[N+]([O-])c1cccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c1,-0.8540228605270386
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3s2)cc1,-0.9322280287742615
O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0598533153533936
CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.2430777549743652
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)nn1C,-1.0283668041229248
Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4337258338928223
O=C(NC1CCCCC1)N1CCC(c2ccc(F)cc2Cl)CC1,-0.7802207469940186
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846245288848877
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9732034206390381
CC(=O)N1CCN(C(=O)Nc2ccc(O)c(C)c2)CC1,-1.2185643911361694
Nc1ccccc1CC(=O)Nc1ccc(-c2ncccn2)cc1,-1.1226171255111694
Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9857894778251648
Cc1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1N,-0.909129798412323
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccn2)CC1,-0.9222833514213562
O=C(c1ccc(Cl)cc1)[C@@H]1CCCCN1C(=O)c1cccs1,-1.0448986291885376
O=C(Cc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.6588274240493774
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)nc1,-1.2510693073272705
Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-1.1861512660980225
Clc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0031588077545166
O=C([C@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0580307245254517
O=C(c1ccccc1)N1CCC(CCc2ccc(F)cc2)CC1,-1.4505351781845093
Cc1cccc(CNc2cc(F)ccc2-c2ccccc2)c1,-1.2374017238616943
Cn1cc(C(=O)Nc2cn[nH]c2-c2ccc(Cl)cc2)cn1,-0.9220211505889893
C[NH+]1CCC(NC(=O)c2ccc(-c3ncccc3Cl)cc2)CC1,-0.8147588968276978
Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.5915743112564087
Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0882952213287354
Cc1nc2cc(CNC(=O)C[NH+]3CCCCC3)ccc2o1,-1.3656973838806152
CC1(C)C[NH+](Cc2ccccc2)CCN1C(=O)c1ccccc1,-1.414534568786621
Cc1nonc1CNC(=O)Nc1ccc(Br)cc1,-1.43337881565094
CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CC)CC1,-1.5275065898895264
Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2c2ccccc2)c(C)c1,-1.0369598865509033
CCCCC(=O)N1CCC(NC(=O)[C@@H]2CCC[NH+](C)C2)CC1,-1.2767268419265747
CC(C(=O)Nc1ccc(O)cc1)C(O)=NCc1ccc(F)cc1,-1.2157243490219116
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9391753673553467
O=C(Cc1ccc2c(c1)OCCO2)OCc1ccccc1,-1.5622259378433228
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114665389060974
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954749703407288
CC1(c2ccccc2)CCN(C(=O)c2cccc3cc(F)ccc23)CC1,-0.857547402381897
CC(C)CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4284800291061401
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.281590461730957
CCc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.3681471347808838
CN(C)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1,-1.5444053411483765
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.9954994916915894
Cc1ccccc1CNC(=O)c1ccccc1S(N)(=O)=O,-1.3134816884994507
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851519227027893
O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9665109515190125
Cc1ccc(C(=O)NC2(c3noc(C)n3)CCOCC2)o1,-1.4434239864349365
O=C(NC1CCN(c2ccc(F)cn2)CC1)c1ccccc1F,-0.8714966177940369
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.2428805828094482
Nc1cc(Br)ccc1CNC(=O)NC1CCCC1,-1.3011040687561035
O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9253819584846497
Fc1ccc(-c2cc(NCc3ccc(Br)cc3)ncn2)cc1,-0.8942434787750244
C[C@@H]1COCCN1c1ccc(NC(=O)Cc2ccccc2)cc1,-1.4817100763320923
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46173563599586487
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0361281633377075
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.2204126119613647
Cc1ccc(O)c(NC(=O)c2ccc(N3CCOCC3)nc2)c1,-1.232669472694397
Cc1ccc(N2CC[C@@H](NC(=O)c3ccn(C)n3)C2)cc1,-1.1469279527664185
C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccccc1,-1.053600788116455
Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.8686724901199341
Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.9677320718765259
C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.35787034034729
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O,-1.2762112617492676
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1484447717666626
Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cn1,-0.9685459136962891
CN1CC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1=O,-1.2600644826889038
Cc1ccc(C(=O)NCC[C@H]2CCS(=O)(=O)C2)cc1,-1.5881755352020264
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1169912815093994
Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.3245645761489868
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9594943523406982
C[C@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.36983060836792
O=C(c1cccc(O)c1)N1CC[NH+](CCc2ccccc2)CC1,-1.4737838506698608
O=C(Cc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1,-1.2673286199569702
[NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0144368410110474
[NH3+]C1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3066378831863403
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3932479619979858
O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2s1,-0.7879340648651123
O=C(c1cc(F)c(F)c(F)c1)N1CCC[C@H](c2ccc(F)cc2)C1,-0.33637696504592896
C[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CCCO1,-1.4883220195770264
CC(C)(O)CC(=O)NC[C@H]1CCO[C@H](c2ccccc2)C1,-1.5993084907531738
O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.5402544736862183
C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2967783212661743
Cc1ccc(CNC(=O)c2cc3ccc(C)cc3o2)cc1,-1.256272792816162
Cc1occc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1,-1.025201439857483
C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-1.1042520999908447
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2744550704956055
COc1cccc(CNCc2ccc(F)cc2Cl)c1,-1.4540237188339233
C[C@H](Nc1ccccc1)C(=O)N1CCC(C(C)(C)C)CC1,-1.2692703008651733
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0751172304153442
NC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.4337185621261597
Cc1cc(C(=O)NC[C@H]2CC23CCC3)c2ccccc2n1,-1.0329127311706543
O=C(N[C@H]1CC[NH+](C2CC2)C1)N1CCC2(CCOCC2)C1,-1.5159599781036377
Cn1ccc(NC(=O)c2ccsc2-c2ccc(O)cc2)n1,-1.1075425148010254
CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1,-1.283436894416809
Cc1cccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)c1,-0.96832275390625
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.050167441368103
Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[NH+]1C1CCOCC1,-0.9901133179664612
Cc1nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cs1,-0.8218918442726135
O=C(NCC(F)(F)F)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9127569794654846
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0153521299362183
Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0908862352371216
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(O)cc2)C1,-1.5007752180099487
CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1,-1.3349398374557495
Nc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](C2CCCCC2)C1,-1.0879570245742798
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0630698204040527
C[NH+]1CCCC[C@H]1C(=O)NCC1(C)CC2(CCCCC2)O1,-1.5605617761611938
O=C(C[NH+]1CCOC[C@@H]1c1ccccc1)Nc1ccccc1I,-1.262991189956665
Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.2875808477401733
O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0411159992218018
C[C@@H]1CC(NC(=O)c2csc(-c3cccs3)n2)C[C@@H](C)O1,-1.0542997121810913
Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1504433155059814
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389317274093628
Cc1nc(-c2nc(-c3ccc(NCC(C)C)cc3)no2)cs1,-0.7560709714889526
O=C(Nc1nnc(-c2ccc(F)c(F)c2)s1)c1ccco1,-0.8063893914222717
O=C(NC1CCN=C(O)C1)c1ccc(-c2ccccc2)cc1,-1.3036030530929565
O=C1C[C@@H](C(=O)Nc2cccc(N3CCCCC3)c2)CCN1,-1.4515522718429565
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0857552289962769
CC(C)(CO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5626996755599976
Fc1ccc(C[NH+]2CCN(C[C@@H]3CCCCO3)CC2)cc1F,-1.2381690740585327
O=C(CCCc1ccc(F)cc1)NCc1cccc(F)c1,-1.5089367628097534
Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1,-0.9756607413291931
CCOc1ccc(NC(=O)CN2CCCC2)cc1,-1.7356270551681519
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3446294069290161
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.4095351696014404
Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0451738834381104
Cc1ccc(CNC(=O)c2ccc3[nH]c(=O)oc3c2)o1,-1.533947467803955
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1,-0.8883647322654724
Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-1.0172748565673828
Cc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,-0.8643488883972168
CCC1CCN(C(=O)N(C)Cc2ccccc2C)CC1,-1.394955039024353
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641311764717102
Cc1nocc1CNC(=O)N[C@@H]1CCC[NH+](C)C1,-1.5720889568328857
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846223831176758
CC(C)C1CCN(C(=O)C2CCN(c3ccccn3)CC2)CC1,-0.9002807140350342
O=C(CN1CCCC1=O)Nc1ccn(-c2ccc(Cl)cc2)n1,-1.056064248085022
C[NH+]1CCN(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)CC1,-1.3967198133468628
C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.953609049320221
Cc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1,-1.0802191495895386
Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.7483497262001038
Fc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1Br,-0.9372017979621887
O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[NH+](C2CCCCC2)C1,-1.0230631828308105
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cn1,-1.0007405281066895
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1048238277435303
O=C1CN=C(O)[C@@H](c2cccc(Cl)c2)N1Cc1ccc(F)cc1,-0.776813805103302
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cn1,-1.394857406616211
O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1,-0.8883926272392273
c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.4070086479187012
O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(O)c1,-1.2200664281845093
O=C(Cc1ccccc1)N1CCN(c2ccc3cc(F)ccc3n2)CC1,-0.7526825666427612
O=C(Cc1ccccc1F)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.3998395204544067
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1057616472244263
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9713071584701538
O=C(Nc1ccccc1O)N1CCN(c2cccc(F)c2)CC1,-1.1030921936035156
O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1,-1.0921235084533691
O=C(NCc1ccc(Br)s1)c1cccc(CO)c1,-1.4124881029129028
CN1CCC2(CCCC(CNC(=O)c3ccccc3)C2)C1,-1.5478699207305908
Nc1cc(NCc2ccccc2)cc(-c2ccccc2)c1N,-1.179374098777771
O=C(c1cccc(O)c1F)N1CCN(Cc2ccccc2)CC1,-1.2261009216308594
O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,-0.9964289665222168
Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1,-0.9774198532104492
CC(C)(C)C(=O)Nc1ccc(CN2CCNC2=O)cc1,-1.560161828994751
Clc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.242508888244629
CC1CN(c2cccc(NCc3ccccc3)c2)CC(C)O1,-1.5016204118728638
CCOc1ccccc1NC(=O)CC[NH+]1CCCC1,-1.6550405025482178
Cn1nccc1NC(=O)NCc1ccc(Cl)cc1,-1.3903119564056396
O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8932703137397766
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700138807296753
CCc1ccc(NC(=O)N2CCC3(CCCC3=O)CC2)cc1,-1.3243999481201172
O=C(Nc1ccc(Br)cc1)N1CC(c2ccc(F)cc2)C1,-1.033586859703064
Cn1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)n1,-1.0859159231185913
O=C(COc1ccc(Cl)cc1)N1CCC(c2ccccc2)CC1,-1.4082046747207642
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033676862716675
Brc1ccc(O[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1Br,-1.0815917253494263
CC(C)CN=C(O)CNC(=O)c1ccc(-n2cccn2)cc1,-1.3157353401184082
Cc1cc(CNC(=O)N2CCC(F)(F)C2)ccc1Br,-0.9586584568023682
Cc1cc(Cl)cnc1N1CCC(NC(=O)c2ccccc2)CC1,-0.8694831132888794
C[NH+]1CCN(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1,-1.280928134918213
Cc1ccc(NCc2ccc(N3CCOCC3)nc2)cc1O,-1.275579571723938
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0835533142089844
CCC(C)(C)CNC(=O)N1CCN(c2ccccc2)CC1,-1.5259239673614502
Cc1ccc(Br)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0013997554779053
C[NH+]1CCC(CC(=O)NCCCc2ccc(Br)cc2)CC1,-1.4279037714004517
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1565561294555664
O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1,-1.669482946395874
CC(=O)c1ccc(C(=O)N[C@H]2C[NH+](C)CC[C@H]2C)cc1,-1.1814872026443481
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.950358510017395
Cc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.1531203985214233
Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc([O-])cc2)C1,-1.3365745544433594
O=C(N[C@H]1CCN(c2ccccc2)C[C@H]1O)c1ccc(Cl)cc1,-1.1917024850845337
CC(C)Oc1ccc(C2CCN(C(=O)C(C)N)CC2)cc1,-1.305397391319275
N#Cc1ccc(C(=O)NC2CCN(c3cccs3)CC2)cc1,-1.329551100730896
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1Cl,-0.8582742810249329
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1Cl,-0.9295064210891724
CC(CN1CCN(C)C1=O)NC(=O)c1ccc(Cl)cc1,-1.0632835626602173
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382911205291748
Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.4977731704711914
COc1ccc(CNC(=O)c2cc(Br)[nH]n2)cc1,-1.386283040046692
C[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.8246882557868958
O=C(N[C@@H]1CC12CCOCC2)N1CCC[C@@H](c2ccccc2)C1,-1.419977068901062
O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@H]1c1ccccc1,-0.8537572026252747
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0222232341766357
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.064901351928711
O=C(c1cccc(O)c1F)N1CCC(C[NH+]2CCCCC2)CC1,-1.0262274742126465
COc1ccc(C(=O)N[C@H]2CCOC3(CCCCCC3)C2)cc1,-1.5175362825393677
CC[C@H]1CCCN(C(=O)N2CCN(c3cccc(C)c3)CC2)C1,-1.046962857246399
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0488168001174927
O=C(Cc1ccccc1)NC[C@H](O)Cc1cccc(Cl)c1,-1.532854676246643
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0475150346755981
O=C(NCC(O)=NCCc1ccccc1)c1ccc(Cl)cc1,-1.4745583534240723
CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.5359833240509033
Cc1ccc2nc(CC(=O)NCc3ccccc3)oc2c1,-1.4147183895111084
Clc1ccc(CNc2ccc(-c3cccc(Cl)c3)nn2)cc1,-0.8627837896347046
O=C(Cc1ccccc1)NCc1ccc2c(c1)NCCO2,-1.5401498079299927
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3239705562591553
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.386286735534668
O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1,-1.2238322496414185
O=C1C[C@H](COc2ccc(F)cc2)CN1c1ccccc1,-1.503957748413086
Cc1ccc(NC(=O)NCC[NH+]2CCCC2)cc1,-1.6751197576522827
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823056936264038
C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.462058663368225
O=C(Nc1ccc(N2CCCCC2)cc1)N1CCCC[C@@H](O)C1,-1.372951626777649
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9587274193763733
CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1,-1.167057991027832
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1728166341781616
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2758549451828003
O=C(CCC(=O)Nc1ccccc1)NOCc1ccccc1,-1.632767677307129
O=C(Cc1ccc2c(c1)CCCO2)NCc1ccccc1,-1.54037344455719
c1ccc(CN2CCCC2CNC2CCCC2)cc1,-1.6291370391845703
O=C(COc1ccccc1)NCC(O)=Nc1cccc(Br)c1,-1.4592742919921875
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764852523803711
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0240857601165771
CC1(C)CCCN(c2ccc(OCc3ccccc3)cc2)C1,-1.5221174955368042
Cc1ccc(C(=O)N2CCN(CCC3CCCCC3)CC2)cc1,-1.3166847229003906
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.8225331902503967
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8235694766044617
CCCCC(=O)OCCCNC(=O)c1ccccc1,-1.7086546421051025
Cc1nc(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cs1,-0.7752693891525269
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9846964478492737
[NH3+]c1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2384108304977417
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.220430850982666
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1892335414886475
Cc1cc(NCc2ccc(-c3ccccc3)cc2)nc(C)n1,-1.0774325132369995
CN(C(=O)N1CCN(c2ccccc2)CC1)c1cccc(F)c1,-1.069597840309143
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9412263631820679
O=C(Nc1nc2ccccc2s1)[C@@H]1CC[C@@H](c2ccccc2)C1,-0.9293103814125061
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.473519206047058
C[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(Br)c1,-1.403193712234497
CC(N)(CC(=O)O)c1ccc(OCc2ccccc2)cc1,-1.5674227476119995
CC[NH+]1CC[C@@](C)(NC(=O)c2c[nH]c3ccc(F)cc23)C1,-0.9534767866134644
CC(C)[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-0.8064099550247192
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9113931059837341
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.0618094205856323
Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.0833909511566162
Cc1ccc(NCc2ccccc2)c(-c2ccc(F)cc2)n1,-1.111420750617981
Nc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9321606159210205
CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1,-1.2783831357955933
Cc1ccc(N2CCN(C(=O)c3cc4ccccc4nc3C)CC2)cc1,-0.6043887138366699
C[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9502208232879639
Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3373748064041138
CC(C)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1,-0.7504580616950989
O=C(c1ccc(Cl)cc1Br)N1CCC(Oc2ccccc2)CC1,-0.9343921542167664
c1ccc(C[NH+]2CCC([NH+]3CCC[C@H](c4nn[n-]n4)C3)CC2)cc1,-1.0422608852386475
Cc1c(Cl)cccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0663107633590698
C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)C1,-0.9568902254104614
CC1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.1632418632507324
Cc1cc(C(=O)N2CCCC2)n(Cc2ccc(Cl)cc2)n1,-0.9001680016517639
O=C(Nc1cc(I)ccc1O)N1CCN(c2ccccc2)CC1,-1.092671513557434
O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCOCC2)cc1,-1.2332887649536133
Cn1cc(CNc2ccccc2F)c(-c2ccc(F)cc2)n1,-0.8813278079032898
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2882159948349
Cc1ccc(NC(=O)c2ccccc2O)cc1,-1.6883125305175781
O=C(c1cc(O)c2ccccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.614626944065094
O=C(Cc1cccc(F)c1)NC[C@@H](O)CC1CCCCC1,-1.580405354499817
CC(C)c1ccc(C(=O)N2CC[NH+](C3CC3)[C@@H](C)C2)cc1,-0.9168828129768372
Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1,-1.1307350397109985
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Br,-1.1585079431533813
O=C(NC1CCN(c2ccccc2)CC1)c1cccc(O)c1O,-1.136933445930481
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.435089349746704
O=C(Nc1ccc(-c2ccccc2)cc1)C1CC[S+]([O-])CC1,-1.353860855102539
Cc1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)no1,-1.0608417987823486
Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.4005298316478729
Clc1ccc(Cc2ccccc2)cc1,-1.7516266107559204
c1ccc(C[NH+]2CCN(C[C@@H]3CCc4ccccc4C3)CC2)cc1,-1.4493863582611084
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.1005090475082397
Cc1coc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1,-1.1550261974334717
Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)oc2c1,-1.0811598300933838
CC(C)CN=C(O)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,-1.197461724281311
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1,-0.7336031198501587
CN1CCN(c2ccc(COc3ccc(N)cc3)cc2)CC1,-1.3608990907669067
O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1F,-1.3302969932556152
Cc1ccc([C@H](O)CNC(=O)N2CCc3ccccc3C2)cc1,-1.132391095161438
Nc1ccc(NC(=O)N2CCCC[C@@H]2C2CCCCC2)c(F)c1,-0.8600207567214966
Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9329468607902527
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.069533348083496
Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1428272724151611
Cc1ccc(CNC(=O)[C@H]2CCC(F)(F)C2)cc1Br,-0.9387878179550171
Cc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.9880963563919067
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8786473870277405
Cc1ccc2cc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2n1,-0.6101779341697693
O=C(N[C@H]1C[C@H](c2cccc(Br)c2)C1)c1ccc(F)nn1,-0.7810235023498535
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.7043015956878662
COc1ccc(CNC(=O)Cc2ccccc2Br)cc1,-1.5179411172866821
COc1ccc(CN)cc1,-1.950554609298706
O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2428590059280396
CCOc1ccc(C[NH+]2CCN(C)C3(CCOCC3)C2)cc1,-1.5263961553573608
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1606613397598267
O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2ncoc2c1,-0.991756021976471
Cc1ccc(CNC2CC(=O)N(c3ccccc3)C2)cc1,-1.55264151096344
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1209471225738525
CC1(C)C[C@@H](CNC(=O)c2cc3ccccc3[nH]2)CCO1,-1.474617838859558
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.294071078300476
O=C(COc1ccccc1)N1CCC(c2ccc(Cl)cc2)CC1,-1.2499644756317139
COc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.0627498626708984
Nc1ccc(C(=O)NC2CCN(c3ccccc3O)CC2)cc1,-1.1010302305221558
Fc1ccc(CN2CC[NH+](Cc3ccc([AsH2])cc3)CC2)cc1,-1.2971608638763428
OC(CNc1ccc(Oc2ccccc2)cc1)=NC1CCCC1,-1.5246422290802002
Cc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)cc1,-1.2794865369796753
Cc1ccc(F)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-1.0224230289459229
CC1(O)CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1,-1.5323561429977417
C[C@@H]1C[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9276242852210999
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,-1.0895203351974487
O=C(NC1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4176905155181885
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.4877451658248901
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5543766021728516
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1790741682052612
Cn1nccc1CNC(=O)Nc1cccc(Br)c1,-1.3908061981201172
C[C@@H](SCc1ccc(Br)cc1)C(=O)N1CCC[NH+](C)CC1,-1.0783807039260864
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8403034806251526
O=C([O-])c1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1,-0.8911890983581543
Cc1ncc(CNC(=O)N2CCCC3(CCOCC3)C2)s1,-1.3399020433425903
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.024669885635376
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C[C@@H]2C)nn1,-0.8876848816871643
CN1CCN(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1,-1.2364065647125244
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccncc1F,-0.974314272403717
Cc1cc(C(=O)N2CC[C@](O)(Cc3ccccc3)C2)no1,-1.5875976085662842
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043277025222778
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9697422385215759
Cc1ccc(NC(=O)c2ncccc2C)c(N2CCOCC2)c1,-1.0298444032669067
Cc1cnc2ccc(C(=O)N3CCOC[C@H]3c3ccc(F)cc3)cc2n1,-0.5051621794700623
O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.021019697189331
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4900578260421753
Cc1ccc(C[NH+]2CC(NC(=O)C(C)(C)C)C2)cn1,-1.3574118614196777
O=C([O-])[C@@H]1CCCN1C(=O)c1cc[nH]c1-c1ccccc1F,-0.9946079850196838
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.0480740070343018
Cc1ccc(CNc2cccnc2-c2ccc(Br)cc2)cc1,-1.025369644165039
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9589533805847168
O=C(CNCc1ccccc1)Nc1ccccc1,-1.7315795421600342
COc1ccc(N2CCN(C(=O)c3ccc(N)nc3)CC2)cc1,-1.0208590030670166
Clc1ccc(C[NH+]2CCC(Nc3ccccc3)CC2)cc1Cl,-1.0335817337036133
CN(C(=O)c1ccc(I)cc1)c1ccc(N2CCOCC2)cc1,-0.9990475177764893
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3366749286651611
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9663752317428589
Cc1ccc(-c2ccc(NCc3ccc(F)cc3)nc2)cc1,-1.308348536491394
O=C(N[C@H]1CCCCC1=O)c1ccc(-c2ccccc2)cc1,-1.4839366674423218
Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(Cl)c1,-1.038260579109192
O=C(c1ccc(S)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0334933996200562
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.262912392616272
Cc1ccc(O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3031091690063477
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678318977355957
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.156611442565918
CN(CCc1ccccc1)C(=O)Nc1ccccc1Br,-1.4721076488494873
O=C(Nc1cc(Br)ccc1F)[C@@H]1CCCC[C@H]1c1ccccc1,-0.8356676697731018
CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.6673640012741089
Oc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2611451148986816
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1coc2ccccc12,-0.9651745557785034
[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.1791608333587646
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.1228283643722534
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1572242975234985
CC(=O)Nc1ccc(C(=O)N2CCCC(C)(C)C2)cc1,-1.4208600521087646
Cc1cc(I)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.0282129049301147
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395606756210327
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.1196156740188599
COc1ccc(Br)cc1C(=O)NCc1ccco1,-1.5553820133209229
FC(F)(F)c1ccc(NCc2ccc(Br)c(Cl)c2)cc1,-0.8401105999946594
CC(C)Oc1ccc(NC(=O)c2ccn[nH]2)cc1,-1.632527470588684
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(Br)ccc1F,-0.8688338994979858
O=C(Cc1ccccc1)NC1CN(c2ccc(I)cc2)C1,-1.34647536277771
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352235913276672
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4338182210922241
Cc1cnc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.3791080415248871
C[NH+]1CCCC[C@H](NC(=O)Nc2ccc3c(c2)CCC3)C1,-1.3060600757598877
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531791925430298
O=C(NC1CC2(CCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1,-1.5256649255752563
Cc1c(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cnn1C,-0.7437158823013306
Cc1ccc(CNC(=O)N2CCc3cnn(C)c3C2)cc1,-0.9757521748542786
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.949241578578949
Cc1nc(NC(=O)NCCc2ccccc2)co1,-1.6715458631515503
C[NH+]1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1,-0.9272634387016296
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9537181258201599
CC1CCCN(C(=O)Nc2ccc(N3CCCCCC3)cc2)C1,-1.2975722551345825
O=C(NCC1CCCCC1)N1CC[NH+](CCCO)CC1,-1.6036150455474854
Cc1nn(C)cc1NC(=O)c1ccn(-c2ccccc2)n1,-1.1852132081985474
Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.5155456066131592
Cc1ccc(C(=O)N2CC[NH+](CCC3CCOCC3)CC2)cc1,-1.4324390888214111
Cc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1,-1.2518222332000732
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9667108654975891
COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2,-1.2527703046798706
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.138371467590332
Nc1ccc(NC(=O)C2(c3ccc(F)cc3)COC2)cc1,-1.5311416387557983
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138288140296936
O=C(NC1CCCCC1=O)c1ccc(C(F)(F)F)cc1,-1.0444341897964478
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7414292097091675
CC([NH3+])CCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5232648849487305
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204590559005737
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.0635591745376587
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9626583456993103
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.2279226779937744
O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCN(c2cccc(F)c2)C1,-0.9950575828552246
Cn1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)n1,-0.9536908268928528
O=C(COc1ccccc1)NCc1ccccc1,-1.7476459741592407
Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3369667530059814
O=C(N[C@H]1CCCC[C@@H]1c1nc2c(o1)CCCC2)C1CCCC1,-0.8914512395858765
C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.147150993347168
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.119971513748169
Oc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.5149468183517456
O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1,-1.399378776550293
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0445287227630615
N#Cc1ccc(CN2CCc3ncc(-c4ccc(Cl)cc4)nc3C2)cc1,-0.4015521705150604
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-1.0258313417434692
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)no1,-1.035496473312378
Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(F)cc2)n1,-1.1019212007522583
Nc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0463635921478271
CCc1ccc(C(=O)NCc2nonc2C)cc1,-1.5565228462219238
CCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1,-0.9420014023780823
O=C(CNc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1,-1.0675442218780518
Cc1csc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1,-1.1299444437026978
O=C(CCc1cccc(Br)c1)NCc1ccc(F)cc1F,-1.0359272956848145
Nc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-0.8386258482933044
O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)N1CCOCC1,-1.0764755010604858
COc1cccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1,-1.1083695888519287
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)cc1,-1.2364054918289185
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-0.987295389175415
CC1CCN(c2ccc(NCc3ccccc3)cc2)C1=O,-1.3987658023834229
CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2204861640930176
CC(C)(O)CCNC(=O)N1CCC[C@@]1(C)c1ccccc1,-1.5556917190551758
C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-1.056776762008667
O=C(c1ccc(Cl)cc1)N1CC2(CCN(c3ccc(F)cc3)C2)C1,-0.854360044002533
CC(N)C(O)=NCCCOc1ccc(CN2CCOCC2)cc1,-1.5125399827957153
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.4079396724700928
O=C(N[C@H]1CN(c2ccc(Cl)cc2)C[C@@H]1O)c1cccs1,-1.1083868741989136
Cn1nc(N)c2ccc(C(=O)NCc3ccccc3)cc21,-1.0023856163024902
O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8796131610870361
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0057159662246704
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.427079200744629
CC(C)[C@@H](NC(=O)[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-0.9520920515060425
Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)no1,-1.1727498769760132
O=C(CN=C(O)OCc1ccccc1)Nc1ccccc1Cl,-1.4952573776245117
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0336602926254272
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0387494564056396
O=C(NCCCO)[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.6660922765731812
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(I)cc1,-1.138916015625
O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[S+]([O-])CC1,-1.2652530670166016
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc12,-0.9481148719787598
O=C(Cc1ccccc1)N1CCC(Cc2ccc(O)cc2)CC1,-1.4752469062805176
C[C@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C2)CC[NH+]1C,-1.280512809753418
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1Cl,-0.8857228755950928
C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.951033890247345
C[C@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCOC2)C1,-1.654382586479187
O=C1C(NCc2cccc(Cl)c2)CCN1c1ccccc1,-1.2136684656143188
Nc1cccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.9382113814353943
Nc1ccc(NC(=O)NCC[C@H]2CCOC2)cc1,-1.668173909187317
O=C(c1ccc(F)cn1)N1CCCCC1Cc1ccccc1F,-0.846169650554657
COc1ccc(CNC(=O)c2cnc(Cl)s2)cc1,-1.2908490896224976
O=C(CCc1ccccc1)N[C@@H]1COCC[C@H]1c1ccccc1,-1.5279937982559204
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2Cl)CC1,-0.9250637888908386
COc1ccc(CCC(=O)Nc2ccc(Cl)c(O)c2)cc1,-1.3420875072479248
C[C@H]1C[C@@]2(CCCN(C(=O)NC[C@H]3CCCO3)C2)CCO1,-1.5726556777954102
C[NH+]1CCC[C@]2(CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)C1,-1.1057299375534058
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.032753586769104
CS(=O)(=O)CCNC(=O)N1CCN(c2ccccc2)CC1,-1.5852162837982178
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730254411697388
O=C(CSc1ccccc1)Nc1ccc2c(c1)OCCO2,-1.5070927143096924
Cc1ccc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.2055301666259766
CC(C)(CCN1CCN(C(=O)c2ccc(F)cc2)CC1)C(=N)O,-1.0790590047836304
CC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(Br)s1,-1.1823362112045288
C[NH+]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1,-1.3380210399627686
O=C1OCC(Cc2ccc(Cl)cc2)N1Cc1ccccc1,-1.462131142616272
O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2[nH]ncc2C1,-1.0676279067993164
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cn1,-1.243920087814331
Nc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.3758997917175293
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0756876468658447
O=C([C@@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.114126205444336
CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1,-1.25801682472229
O=C(C1CCN(c2ccc(Cl)cc2)CC1)N1CCC(CO)CC1,-1.073745608329773
O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.245509386062622
Cc1cnccc1C(=O)N1CCC[C@H](Oc2ccc(F)cc2)C1,-1.0667502880096436
Cc1ccc(NC(=O)c2cccc(-c3ccc(Br)cc3)c2)cc1,-1.048691749572754
Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)no1,-0.789318323135376
Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0783573389053345
C[C@@H]1Cc2cc(NC(=O)N3CCOC4(CCOCC4)C3)ccc2O1,-1.3865913152694702
CC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1,-1.4534720182418823
CC(C)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1,-1.376304268836975
O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8623207807540894
Cc1ncccc1NC(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.806492269039154
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0047022104263306
C[C@H]1CC2(CCO1)CC[C@@H](NC(=O)Nc1ccccc1)C2,-1.5907725095748901
C[C@H]1CCCCCN1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.0566065311431885
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845792531967163
Nc1ccc(CCc2ccc(C(=O)N3CCOCC3)cc2)cc1,-1.3972244262695312
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0241109132766724
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431866884231567
COc1ccc(CCC(=O)Nc2ccc(F)c(F)c2)cc1,-1.4256802797317505
OC(CNCc1ccc(-c2nn[nH]n2)cc1)=Nc1ccccc1,-1.2171051502227783
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.156499981880188
O=C(Nc1ccc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8099328279495239
Cc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)c(C)c1,-0.9281152486801147
O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.097051978111267
O=C(Nc1ccccc1)N1CCN(c2cc(Cl)ccc2F)CC1,-0.9305222630500793
O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-0.9697955250740051
CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4401317834854126
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0096203088760376
Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)o1,-1.3487334251403809
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)n[nH]1,-0.912990391254425
Cc1ccc([C@@H]2C[C@@H](NC(=O)Cc3ccccc3)CCO2)cc1,-1.487119197845459
Cn1cc(NCc2cc(F)ccc2Cl)c(-c2ccccc2)n1,-0.8126286268234253
COc1ccccc1C(=O)NCc1nc(C)co1,-1.5991032123565674
O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2580773830413818
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.1160119771957397
Cc1cncc(C(=O)NC2C[NH+](CCCC(C)(C)C)C2)c1,-1.3838504552841187
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0132743120193481
O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.3594270944595337
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9677119255065918
O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1ccc(Cl)cc1,-1.0960434675216675
Oc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.4477838277816772
CC[C@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1,-1.064493179321289
CC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.506261944770813
Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,-1.1558421850204468
NC(=O)CCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1,-1.5475633144378662
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.4535412788391113
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.450730323791504
O=C(Nc1ccc(I)cc1)c1ccc(N2CCNC2=O)cc1,-1.001367449760437
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0763038396835327
O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.093889832496643
Nc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Br)c1,-0.9041573405265808
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9635567665100098
O=C1NCCN(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1,-1.357026219367981
[NH3+][C@H]1Cc2ccc(C(=O)NCCc3ccccc3)cc2C1,-1.3374578952789307
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)nc1,-1.1815829277038574
N#Cc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1,-1.144472599029541
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2705730199813843
O=C(Nc1ccc(I)cc1F)N1CCN(c2ccccc2)CC1,-0.8660499453544617
C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O,-1.5386748313903809
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.1119881868362427
Fc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.2870233058929443
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1,-1.1662862300872803
Cc1ccc(N=C(O)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,-1.3639373779296875
O=C(NCc1ccccc1)N1CCC[C@H](O)C1,-1.7000559568405151
C[C@H](NC(=O)c1ccc(I)cc1)[C@@H](O)c1ccc(F)cc1,-0.9642156362533569
Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1280286312103271
Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.2217861413955688
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.020329236984253
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.374503254890442
O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2[nH]1,-1.1529990434646606
CC(C)[NH+]1CCC(NC(=O)c2ccc3c(c2)CCN3)CC1,-1.0667823553085327
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.059843897819519
O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464657545089722
Cc1ccc2cc(C(=O)NCc3ccc(N)cc3)oc2c1,-1.204064130783081
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)o1,-0.824636697769165
Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1,-1.5158522129058838
Cn1cc(CNC(=O)Nc2ccccc2Br)cn1,-1.5390900373458862
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124977111816406
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894978523254395
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.328572154045105
c1ccc(CN2CCC3(CCN3Cc3ccccc3)C2)cc1,-1.5610227584838867
Brc1ccc(NCc2ccccc2)cc1,-1.671546220779419
COc1ccc(CCC(=O)Nc2ccc(C)cc2O)cc1,-1.5031908750534058
CC(=O)N1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1,-1.407090425491333
O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0395137071609497
O=C(c1ccc(O)cc1)N1CCCC(C(O)=NCc2ccccc2)C1,-1.3085951805114746
C[NH+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1242365837097168
CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1704201698303223
O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cccs1,-0.8739465475082397
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2398208379745483
Cc1ccc(CC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1,-0.7760120630264282
Cc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.44694983959198
Cc1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.1403859853744507
Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)C2)cc1,-1.5308688879013062
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7633190751075745
Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.0474681854248047
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.1715447902679443
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.942009687423706
C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1,-1.1481822729110718
Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)cc1,-1.0986207723617554
Nc1nnc(-c2ccccc2)c(NCc2ccc(F)cc2)n1,-0.8446142673492432
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4634974002838135
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9094737768173218
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.1492575407028198
N[C@H]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.0911389589309692
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.3642544746398926
CCS(=O)(=O)c1cccc(CNCC2CCCCC2)c1,-1.5826783180236816
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908115148544312
O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.6604880094528198
COc1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1,-1.563517689704895
Cc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1,-1.3725268840789795
O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4977174997329712
C[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](C3CCCC3)C2)C1,-1.3353670835494995
O=C(C1CCOC2(CCCCC2)C1)N1CCC(c2ccc(F)cc2)CC1,-1.0260660648345947
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2593214511871338
O=C([C@H]1CCC[C@@H]1c1ccc(F)cc1)N1CCO[C@@H](C2CCOCC2)C1,-1.0386192798614502
O=C(Nc1cc(F)ccc1F)N1CCC(c2ccccc2)CC1,-0.9537957310676575
Cc1ccc(CNCCOc2ccccc2Cl)cc1,-1.5705289840698242
Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)s1,-0.6973031759262085
Cc1cc(F)ccc1N1CC[C@H](NC(=O)c2ccccc2F)C1,-0.7837944626808167
O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9155216813087463
O=C(COc1ccc(Cl)cc1)N1CCC(c2ccccn2)CC1,-1.133476734161377
Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)no1,-0.9473336935043335
Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.3472715616226196
CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5999479293823242
c1ccc(C[NH+]2CC[C@H]3CC[NH+](CC4CCOCC4)C[C@H]3C2)cc1,-1.3420605659484863
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.0173099040985107
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.2061253786087036
O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9950788617134094
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4342025518417358
Cc1ccc(-c2ccc(NC(=O)c3ccccc3F)cc2)cc1,-1.101043939590454
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1326135396957397
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3410650491714478
CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.2958528995513916
Cc1ccc(N2CCC(NC(=O)c3cccnc3Cl)CC2)cc1,-0.8637655973434448
Cc1nn(C)c2cc(C(=O)NCc3ccccc3)ccc12,-1.0041003227233887
C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.368796706199646
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.005479097366333
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9787899851799011
Cc1csc(N2CC[C@@H](NC(=O)c3ccc(F)cc3)C2)n1,-0.9501066207885742
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4526456594467163
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,-0.9007234573364258
O=C(NCCCF)[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5934703350067139
C[C@@](O)(Cc1ccc(F)cc1)C(=O)NCc1ccccc1,-1.5633771419525146
Cc1ccc(F)c(-c2noc(COc3ccc(F)cc3)n2)c1,-0.9735571146011353
Cc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.3445416688919067
Cc1ncoc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1,-1.181294322013855
CN1CCC2(CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1,-1.0872292518615723
Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1,-1.0462391376495361
CC(C)c1ccc(NC(=O)c2ccc3c(n2)CCC3)cc1,-0.9475188851356506
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1,-1.0899040699005127
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1,-0.8636071085929871
COc1ccccc1NCc1cccc(S(N)(=O)=O)c1,-1.5349712371826172
O=C(N[C@@H]1CCCC[C@H]1O)C1CCN(c2ccc(F)cc2)CC1,-1.0241475105285645
CC(C)(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.1580064296722412
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0620973110198975
O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9591249823570251
O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9510844945907593
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8776195645332336
O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.4899970293045044
O=C(COC(=O)C1CCCCC1)NC1CCCCC1,-1.695168137550354
Cc1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)s1,-0.9995516538619995
C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc21,-1.0307101011276245
O=C(Nc1ccc2nc[nH]c2c1)N1CC[C@H](c2ccccc2)C1,-1.0910453796386719
O=C(NCC(O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4332674741744995
COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1,-1.1033316850662231
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2216109037399292
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2746623754501343
Cc1ccccc1NC(=O)CC1CCCCC1,-1.6786751747131348
CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0964467525482178
CC(C)c1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1,-0.9151700735092163
O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCCC[C@H](F)C1,-1.2132573127746582
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0397523641586304
Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.1379865407943726
C[C@@H](CNC(=O)c1ccc2oc(=O)[nH]c2c1)c1ccccc1,-1.2172232866287231
CC1(C)CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.2799173593521118
O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.3399336338043213
Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0232843160629272
Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9862631559371948
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2072627544403076
O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5018309354782104
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9633008241653442
O=C(COc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,-1.3704230785369873
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0238641500473022
Cc1ccc2[nH]nc(C(=O)NCc3cccc(O)c3)c2c1,-1.0737813711166382
O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC12CCCCC2,-1.398653507232666
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.071412444114685
O=C(Cn1ccc2ccccc21)NCc1ccc(F)cc1,-1.347814679145813
O=C(NCC1CCCCC1)N1CC[C@H](O)C2(CCCC2)C1,-1.5727496147155762
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8253065347671509
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.1331744194030762
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.141103744506836
Fc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0992631912231445
CC1(O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5506762266159058
N#Cc1ccc(NC(=O)c2ccc(-c3nccs3)cc2)cc1,-1.1779896020889282
O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2CCOCC2)c1,-0.8986100554466248
Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1867660284042358
Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4989999532699585
CC(C)c1ccccc1C(=O)N[C@@H]1CCC2(CCCC2)C1,-1.3032528162002563
O=C(N[C@H]1CCCCC[C@@H]1c1ccccc1)c1ccc(Br)cc1,-1.068893313407898
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.174090027809143
FC(F)(F)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1,-1.0804716348648071
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9507467746734619
O=C(NCC1CCCCC1)N1CCCCC1,-1.7332298755645752
Fc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3995393514633179
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,-1.4045268297195435
Cc1cc(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)no1,-1.369739294052124
Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.5150387287139893
O=C(Nc1ccc2c(c1)CC[NH2+]C2)N[C@H]1CC12CCCC2,-1.2468087673187256
O=C(N[C@H]1CC12CCCCC2)N1CCC(c2ccccc2)CC1,-1.304740071296692
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3654680252075195
CN(Cc1ccc(I)cc1)C(=O)[C@@H]1CCS(=O)(=O)C1,-1.3807549476623535
C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CCN1c1cccc(Br)c1,-1.1082706451416016
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.4427427053451538
O=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@H]1C1CCOCC1,-0.7901422381401062
C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1165003776550293
Cc1ccc(C2CCN(C(=O)COC3CCCCC3)CC2)cc1,-1.3448961973190308
Cc1ccc(CNC(=O)C(=O)N2CCC(O)CC2)cc1,-1.5369771718978882
O=C(Nc1cc2ccccc2s1)N1CCC[C@@H]([NH+]2CCCC2)C1,-1.004919171333313
O=C(N[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.9766695499420166
O=C(Nc1cccc2cn[nH]c12)c1ccn(-c2ccccc2)n1,-0.9973970651626587
O=c1cc([O-])n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccccc1,-0.8642725348472595
Cc1ccc(CC2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4511476755142212
Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.2217841148376465
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2412986755371094
CCCc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5688586235046387
O=C(C[C@@H](O)c1ccc(Br)cc1)NCc1ccc(F)cc1,-1.2876204252243042
Cc1ccc(NCc2ccc(-c3ccc(N)cc3)nc2)cc1,-1.2121410369873047
O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc(Cl)cc1,-1.1404623985290527
O=C(N[C@H]1CC[NH2+]C12CCCC2)N1CCC[C@H]1c1ccccc1,-1.246303915977478
O=C(NCc1cccc(F)c1)N1CC[C@@H](C2CCCC2)C1,-1.2922844886779785
O=C(c1ccccc1F)N1CCCC[C@H]1Cc1ccc(F)cc1,-0.9524626731872559
O=C(Cn1cc(Br)cn1)Nc1ccc(-c2nn[n-]n2)cc1,-1.0923941135406494
[NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.8725185394287109
CC[C@@H]1COCCN1C(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.012824296951294
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1729040145874023
C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)C)cc2)CC1,-1.4724462032318115
CC[NH+]1CCC[C@H](CNC(=O)c2ccc(Cl)o2)C1,-1.4675108194351196
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-0.9463445544242859
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.975140392780304
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1651376485824585
CC[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)O[C@@H](C)CC2,-1.2206120491027832
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2411131858825684
CC(=O)Nc1ccc(C[NH+]2CCc3nc(C)sc3C2)cc1,-0.8887186050415039
CCn1nc(C)cc1NC(=O)N1CCC2(CCOCC2)C1,-1.3072524070739746
C[C@H]1CN(S(=O)(=O)CC(=O)NCc2ccccc2)CCO1,-1.5892163515090942
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2230685949325562
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2115445137023926
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cn1,-1.2343999147415161
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.457100749015808
O=C(c1ccc(F)cc1)N1CCC[C@H](NCC(F)(F)F)C1,-1.0246319770812988
CN1CCN(CC(F)(F)F)CC1,-1.7366442680358887
C[C@H]1COCC[NH+]1Cc1ccc(NC(=O)C(C)(C)C)cc1,-1.4484184980392456
Cc1ccccc1N1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.1768789291381836
Cc1ccc([C@H](C)CC(=O)NCc2ccc(Cl)cc2)cc1,-1.2745983600616455
Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n1,-1.039178729057312
Cn1cc(C2CCN(C(=O)Nc3ccc(Br)cc3)C2)cn1,-1.0094714164733887
Cc1cc(COc2ccc(-c3ccccc3)cc2)ccc1Br,-1.171691656112671
C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.2425647974014282
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0953128337860107
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1132255792617798
Cc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0750014781951904
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9747194647789001
C[C@@H]1C[NH+](Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3978214263916016
c1ccc2c(c1)CCC2COc1ccc(CN2CCOCC2)cc1,-1.3671022653579712
CC1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1440315246582031
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4425749778747559
O=C(N[C@H]1CCN(c2cccs2)C1)N1CCc2ccccc2C1,-1.0239841938018799
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1,-1.4707096815109253
Fc1ccc(CNC2CCC(c3ccccc3)CC2)cc1Cl,-1.000059723854065
C[NH+]1CCN(C(=O)NCCCc2cc(Cl)ccc2Br)CC1,-0.955853283405304
Cc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.4642482101917267
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2256195545196533
O=C(O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,-0.9122077822685242
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1660250425338745
CC1CC(NCc2ccc(O)cc2)CCN1c1ccccc1,-1.317191481590271
Oc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.2046247720718384
CC(C)(C)CN1CCN(CNc2ccc(C#N)cc2)CC1,-1.380856990814209
Cc1ncccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9083957672119141
C[C@@H]1CCCN(C(=O)CNC(=O)CC2CCOCC2)C1,-1.569280982017517
O=C(C[NH2+]C1CCOCC1)NCC1CCCCC1,-1.7068454027175903
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1O,-1.0895206928253174
C[C@@H](CC(=O)NCCc1ccccc1)C(=O)c1ccccc1,-1.5461125373840332
COC(CNCc1ccc(Br)cc1)c1ccccc1,-1.5354593992233276
Cc1nc(F)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-0.9520664811134338
CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,-1.5585929155349731
O=C(c1c(F)cc(F)cc1F)N1CCC(c2ccc(O)cc2)CC1,-0.48208877444267273
Cc1cc(-c2ccccc2)nc(NCc2cccc(Cl)c2)n1,-0.9259999394416809
O=C(Nc1ccc(O)cc1F)[C@H]1CCCC[C@@H]1c1ccccc1,-0.9995711445808411
C[C@H]1CCCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)C1,-1.2448852062225342
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835792183876038
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600539684295654
CS(=O)(=O)C1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.0953744649887085
O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1096583604812622
Cc1cc(I)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.8459255695343018
CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1,-1.5363980531692505
Cc1cc(C(=O)N2CCC3(CCCC3)C2)n(-c2ccc(F)cc2)n1,-0.7934519052505493
O=C(NCC(O)=NCCc1ccccc1)c1ccc(I)cc1,-1.3879261016845703
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.186397910118103
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.2335700988769531
Cc1ccc(NC2(C)CCN(Cc3ccccc3)CC2)cc1,-1.5310635566711426
CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.6324033737182617
O=C(Cc1ccccc1)N1CCNCC1,-1.7736090421676636
C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)C1,-0.4954599142074585
CN1CC(CN2CCN(Cc3ccccc3)CC2)CC1=O,-1.5267696380615234
Cc1c(O)cccc1C(=O)NC1CCN(c2ccccn2)CC1,-1.084517478942871
C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1,-1.2127560377120972
O=C(O)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1,-1.087470293045044
O=C(NCc1ccc(Br)c(F)c1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-0.7998020052909851
O=C(NCCCF)C1CC[NH+](Cc2ccccc2)CC1,-1.5924890041351318
O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2,-1.18517005443573
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5189359188079834
c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(N2CCOCC2)CC1,-1.0633465051651
O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCc2sccc2C1,-0.7063450813293457
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.0959975719451904
Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.2335878610610962
Fc1ccc(-c2ccc(CNc3ccc(Br)cc3)cc2)cc1,-1.1385879516601562
COc1ccc(C(=O)N2CC[C@H](C)[C@@H](c3ccccc3)C2)cc1,-1.0679969787597656
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0355699062347412
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.000333309173584
Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cn1,-1.2064069509506226
C[NH+]1CCC(CNC(=O)N2CCC3(CCCCC3)C2)CC1,-1.524953007698059
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F,-1.1178332567214966
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.113015055656433
O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cc2ccccc2s1,-0.9878793954849243
Cc1ccc(Br)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1,-1.2826111316680908
C[C@@H]1CCC[NH+](CC(=O)NCC(=O)C2CCCCC2)C1,-1.5598863363265991
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)nc1,-0.8764946460723877
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9081816673278809
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1,-1.278037190437317
O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0187652111053467
Clc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br,-1.0746856927871704
CCCC(NCc1ccc(C)cc1)c1ccccc1,-1.6683845520019531
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.8804876804351807
CC1(C)CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.0375285148620605
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1827037334442139
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1852643489837646
COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.4382942914962769
OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.5036230087280273
C[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)c(F)c3)CC2)C[C@H](C)O1,-0.5989046692848206
Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9749143719673157
CC(=O)Nc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1,-1.4069888591766357
O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8264570236206055
O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7274211049079895
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9879485964775085
Cc1ccccc1[C@H]1CN(C(=O)Nc2cccc(O)c2)CCO1,-1.2846014499664307
Cc1ccccc1NC(=O)N1CCC(c2cccc(Br)c2)CC1,-0.9281642436981201
CC(C)N=C(O)C1CCCN(C(=O)c2noc(-c3ccccc3)n2)C1,-0.8544222116470337
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1cccnc1O,-1.0368967056274414
O=C(CN1CC[NH+]2CCC[C@@H]2C1)NCc1ccc(Cl)cc1,-1.223411202430725
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2356010675430298
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3742327690124512
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653539061546326
Nc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cc1,-0.9914257526397705
O=C(COc1ccccc1)OCc1ccccc1,-1.7576621770858765
CC1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2546278238296509
O=C([C@@H]1CCCC[C@@H]1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9501625299453735
CC(C)N1CCCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1,-1.0410487651824951
CC(C)(C)C(=O)Nc1ccc(NC(=O)CCC[NH3+])cc1,-1.557464838027954
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466258764266968
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2s1,-0.7935768365859985
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0905643701553345
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1300386190414429
O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.5208967924118042
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1F,-1.1274192333221436
O=C1C(c2ccc(Cl)cc2)N(c2ccccc2)NCN1c1ccccc1,-0.8779556155204773
Cc1cccc(N2CCN(C(=O)COc3ccccc3)CC2)c1,-1.457470417022705
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(O)cc1,-1.134581446647644
O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8167676329612732
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0261811017990112
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924254655838013
O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CC[NH2+]CC2)C1,-0.9078406095504761
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.17206609249115
O=C(NCC1CCCCC1)Nc1cccc(O)c1,-1.6691186428070068
CCC[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.4615174531936646
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)cc1,-1.0533643960952759
Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.324578046798706
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8922019004821777
O=C([C@H]1CCC2(CCCCC2)O1)N1CCN(c2ccc(F)cc2F)CC1,-0.7929789423942566
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0609201192855835
Cc1cccnc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.8677282333374023
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2184332609176636
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)cc1,-1.119654655456543
Nc1ccccc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9507899880409241
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9931646585464478
O=C(Nc1ccc(F)cc1)c1ccccc1N1CCCC1=O,-1.1241705417633057
O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.110238790512085
O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccc(Br)cc1F,-0.8420783281326294
O=C(NC[C@@H]1CCOC1)Nc1ccc(Br)cc1F,-1.506790041923523
O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1,-1.3995239734649658
O=C(Nc1ccn(-c2ccccc2)n1)N1CC[NH+]2CCC[C@H]2C1,-1.0957701206207275
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.195054531097412
O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1nc2ccccc2s1,-0.9490352869033813
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.4452524185180664
O=C(CN1Cc2ccccc2C1)NCc1cccc(O)c1,-1.5172675848007202
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0627355575561523
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1,-0.9244327545166016
Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.3430954217910767
O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.3611312508583069
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.2138221263885498
O=C(Cc1ccc2nc[nH]c2c1)NCc1ccc(Cl)cc1,-1.1523140668869019
C[NH+]1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCCC3)CC2)C1,-1.2292323112487793
C[C@H]1CCC[NH+](CC(=O)NCCCc2ccc(Br)cc2)C1,-1.4530478715896606
COc1ccc(NC(=O)CCC(=O)N2CCC([NH3+])CC2)cc1,-1.467573881149292
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.010765552520752
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.8967515826225281
C[C@@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccc(Cl)cc1,-1.1322906017303467
C[C@H]1C[NH2+]CCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2623544931411743
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2272990942001343
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0229053497314453
Cc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)s1,-0.975213348865509
Cc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1,-1.0910652875900269
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.098267674446106
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-1.0679336786270142
O=C(Nc1ccc(Br)cc1)NC1C[NH+](CCO)C1,-1.542168140411377
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1980669498443604
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0541282892227173
O=C(CN1CCOC1=O)Nc1ccc(-c2ccccc2)cc1,-1.517640471458435
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.8391702175140381
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2764445543289185
Oc1ccc(F)c(CN2CCN(Cc3ccccc3)CC2)c1,-1.3805482387542725
CCc1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1F,-1.363453984260559
Nc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1810081005096436
O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc2ncccc2n1,-1.0351723432540894
COc1ccc(CNC(=O)c2cc(Br)ns2)cc1,-1.3533912897109985
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5425074100494385
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Br)cc1F,-0.8581779599189758
CCOC(=O)c1ccc(-c2ccc3c(c2)CC(C)O3)cc1,-1.2494748830795288
COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1,-1.5512253046035767
CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.8263616561889648
Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0199534893035889
C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.0401660203933716
O=C(CN1C(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cc1,-1.0619385242462158
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9758591055870056
O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2671527862548828
O=C1COc2ccc(CNC(=O)c3ccco3)cc2N1,-1.4878437519073486
COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.5722683668136597
O=C(NC1CCCCC1)[C@H]1CCCN(C2CCCCC2)C1=O,-1.1365776062011719
O=C(c1ccccc1Br)N1CCN(Cc2cccc(F)c2)CC1,-0.9139406085014343
Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cn1,-0.8209808468818665
CCC(CC)C(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.3957809209823608
C[C@@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.200329065322876
Cc1ncccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.8999035358428955
CC1(C)CC(NC(=O)C2CCN(c3ccccc3)CC2)C1,-1.3869787454605103
CC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-1.2876837253570557
N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1,-1.5287301540374756
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5275956392288208
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100518941879272
Cc1cccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1,-1.4376580715179443
Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0789533853530884
Cc1cccc(NC(=O)C(=O)Nc2ccc(Cl)nc2)c1,-1.2861601114273071
CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1,-0.9991347193717957
O=C(Cc1ccccc1Cl)NC1CC[NH+](C2CCCCC2)CC1,-1.2111201286315918
C[C@@H]1C[NH+](Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1,-1.3784829378128052
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3773936033248901
Nc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0294647216796875
Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0880661010742188
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9380539059638977
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101744532585144
Nc1ccc(C2CCC(NC(=O)c3ccccc3F)CC2)cc1,-0.9779919981956482
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.3826498985290527
COc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1O,-1.1540112495422363
O=C(NCCC1CCCCCC1)N[C@H]1CCOC[C@@H]1O,-1.6248687505722046
CCOC(=O)c1ccc(N2CCCCS(=O)(=O)CC2)cc1,-1.5391672849655151
CC(C)(C)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1,-0.7949564456939697
Cc1ccc(-c2nc(O)ccc2NCc2ccccc2)cc1,-1.223842740058899
CC1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0336723327636719
CC(C)(C)N1CC[C@H](NC(=O)c2ccc(N)cc2)C1=O,-1.06440269947052
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0629959106445312
C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2684111595153809
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4552479982376099
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1475043296813965
Cc1cccc(C2(NC(=O)c3ccc(Br)cc3)CCC2)c1,-1.3002015352249146
Cc1cc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.224836826324463
N#Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1,-1.3097935914993286
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.121535062789917
Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3O)CC2)cc1,-1.1412969827651978
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8673810958862305
Cc1nc2cc(NC(=O)NC3CCC(C)CC3)ccc2[nH]1,-0.9776671528816223
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0275131464004517
[NH3+][C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8635421395301819
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1672656536102295
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0283315181732178
CCc1cc(F)ccc1NC(=O)c1ccc(O)c(F)c1F,-0.6382655501365662
c1ccc(-c2noc(CNCC3CCCC3)n2)cc1,-1.6307436227798462
Cc1ccc2c(C(=O)NCc3ccc(F)cc3)c[nH]c2c1,-1.0730947256088257
Cc1ccc(CNc2cc(C)ccc2-c2ccccc2)cc1,-1.3111501932144165
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060235500335693
[NH3+]c1ccc(-c2ccc(C(=O)N[C@H]3CCCC[C@H]3O)cc2)cc1,-1.1637877225875854
c1ccc(Oc2ccc(C[NH+]3CCc4ncccc4C3)cc2)cc1,-1.2117999792099
Cc1cccc(CC(=O)NC[C@H]2Cc3ccccc3O2)c1,-1.5217442512512207
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1337202787399292
CC(C)CCC(=O)Oc1ccc(C(=O)N2CCOCC2)cc1,-1.5147560834884644
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8294103741645813
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.381260633468628
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.8915742039680481
Cc1cc(F)ccc1C(=O)N1CCC(Nc2ccccc2)CC1,-1.1749610900878906
CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.356390118598938
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9747123718261719
O=C(N[C@H]1CC12CCCCC2)N1CCC([C@H]2CCCCO2)CC1,-1.3024386167526245
CN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(F)cc1,-1.2002089023590088
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3731331825256348
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0207756757736206
O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1,-1.3425403833389282
O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2s1,-1.2944294214248657
O=C(NCCc1ccccc1)N1CC[S+]([O-])c2ccccc21,-1.1931159496307373
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.652771234512329
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9755964875221252
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)nc1,-0.9248763918876648
Cc1ccc(NC(=O)[C@H]2CCN(CCC(F)(F)F)C2)cc1,-1.298988938331604
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.4013949632644653
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.14817214012146
CC(=O)Nc1ccc(C[NH+]2CCc3nc(C)sc3C2)cc1,-0.8946434259414673
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.22393798828125
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4888701438903809
c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCN(C2CCCCC2)CC1,-0.9277169704437256
C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1092525720596313
Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1C,-1.1663626432418823
C[NH+]1CCC[C@@H](CNC(=O)N2CCC3(CCCC3)CC2)C1,-1.5194488763809204
Cc1ccc2c(c1)CCN(C(=O)N1CCN(c3cccc(F)c3)CC1)C2,-0.5931079983711243
Nc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9148386716842651
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.033483862876892
O=C(N[C@H]1CCCC[C@H]1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8036261796951294
O=C(c1ccc(Cl)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.31030452251434326
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.010087013244629
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0821380615234375
C[C@H](O)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.5428208112716675
O=C(Nc1ccccc1F)c1ccc(-c2ccc(F)cc2)nc1,-0.9368292689323425
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095360279083252
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2158676385879517
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.115967869758606
Cc1cccc(N2CCN(C(=O)Cc3ccc(F)cc3)C[C@H]2C)c1,-0.9837936162948608
Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1,-1.2062815427780151
C[NH+]1CCC(CNC(=O)c2cc3ccc(Br)cc3s2)CC1,-0.9098483324050903
CC(C)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1,-1.0934770107269287
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954444527626038
Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1163233518600464
Cc1cc(F)ccc1C(=O)Nc1ccccc1-c1ccccc1,-1.0509322881698608
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1CC1C1CCOCC1,-0.9640313982963562
Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)OC(C)(C)C2)nc1,-1.0471503734588623
CC1CCCN(CC(O)=NCCNC(=O)c2ccccc2)C1,-1.5172737836837769
O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CC12CCOCC2,-1.433646321296692
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8917655348777771
O=C(CC(F)(F)F)NC[C@H]1CCCCN1c1ccccc1,-1.2370909452438354
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1594409942626953
C[C@@H]1CN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C[C@H](C)O1,-1.2085751295089722
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3774844408035278
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1808741092681885
Cc1ccccc1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9931190609931946
CC1(C)CCN(C(=O)Nc2ccc(C(N)=O)cc2)CC1,-1.3627510070800781
O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1399915218353271
Cc1ccccc1C(=O)NC1CCC(c2ccc(F)cc2)CC1,-1.017914891242981
CC(C)(C)C(=O)NCc1cn[nH]c1-c1ccc(Br)s1,-0.893701434135437
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(C)n1,-0.8923930525779724
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1595221757888794
O=C(Nc1ccccc1)C1CCN(c2ccc(Cl)cc2F)CC1,-0.9032924175262451
Clc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0085915327072144
Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.3472752571105957
O=C(NCc1ccccc1)Nc1cccc(I)c1,-1.5252543687820435
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9994001388549805
O=C(Cn1ncc2ccccc21)NCc1ccc(F)cc1,-1.3762125968933105
O=C(CCCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1,-1.3400267362594604
O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.505216360092163
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)nc1,-0.7205141186714172
O=C(Nc1ccc(C2CCCC2)cc1)c1cc2ccccn2n1,-1.0807311534881592
O=C(NC[C@H]1CCCCO1)N1CCC[C@H](CCCO)C1,-1.6170769929885864
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.1251096725463867
N#Cc1ccc(C(=O)OCc2ccc(F)c(F)c2)cc1,-1.2195374965667725
Cc1nc(NCc2ccccc2)nc(-c2ccccc2)c1N,-0.9466660022735596
Nc1ccc(N2CCC(OCc3ccc(Br)cc3)CC2)cc1,-1.157509446144104
COC(=O)[C@@H]1CCC[C@H](NC(=O)C2CCCCC2)C1,-1.568042278289795
C[C@H]1CCC[NH+](CCNC(=O)CCc2ccc(Br)cc2)C1,-1.4210864305496216
CC[NH+]1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-0.952727198600769
O=C1CCCN1C(=O)CNc1ccc(N2CCCCC2)cc1,-1.3601257801055908
COc1ccc(C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2463922500610352
Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(I)n1,-0.8109129071235657
O=C(C[NH+]1CCOC[C@@H]1c1ccccc1)Nc1ccccc1Cl,-1.3166536092758179
Cc1ccc(C[NH+]2CCN(C[C@H]3CCC[NH+](C)C3)CC2)cc1,-1.4593600034713745
C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)C1,-1.578734040260315
CC1(C)C[C@H](CN2CC[NH+](Cc3ccccc3)CC2)CCO1,-1.5693930387496948
c1ccc(C[NH+]2CCC23CC[NH+](CC2CCOCC2)C3)cc1,-1.6102216243743896
O=C(Nc1ccc(-c2ncco2)cc1)c1ccc2nc[nH]c2c1,-1.0628626346588135
Cn1cc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cn1,-1.136265516281128
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCC[C@@H](c2ccccc2)C1,-0.8811333775520325
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1462852954864502
Cc1ccc(N2CC[C@H](NC(=O)c3ccc(I)cc3)C2)s1,-0.8844420909881592
O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.5381653308868408
Oc1cc(-c2ccc(F)cc2)cc(NCc2ccccc2)n1,-1.3415520191192627
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9617453217506409
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2136144638061523
OC1(Cc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1,-1.5863958597183228
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2990989685058594
Cc1ccc(CNC(=O)N2CCCC3(CCC3)CC2)cn1,-1.5558102130889893
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1861802339553833
c1ccc(C[NH+]2CCC[C@H](c3noc(-c4ccccc4)n3)C2)cc1,-1.3916187286376953
CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.1380490064620972
CC[NH+]1CCC(CNC(=O)c2ccc(C)s2)CC1,-1.52593994140625
OC(CN1CCC(c2ccc(O)cc2)CC1)=NCCc1ccc(F)cc1,-1.0513877868652344
C[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1,-1.7014658451080322
C[NH+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.2494927644729614
O=C(Cc1ccccc1)Nc1ccc(Cl)cc1,-1.6484051942825317
O=C(O)c1ccc(CSCc2ccccc2)cc1,-1.6382774114608765
O=C(NC[C@H]1CC2(CCOCC2)O1)c1cc(Br)ccc1F,-1.411853313446045
CC[C@@H]1CC[NH+](C2CCN(C(=O)c3cc(C)ccc3F)CC2)C1,-0.8873108625411987
Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1,-1.5560342073440552
CC(C)(C)COc1ccc(NC(=O)C(C)(C)N)cc1,-1.5817368030548096
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1017438173294067
Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)no1,-1.0819050073623657
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nn1,-0.939414918422699
O=C(Nc1ccc2nn[nH]c2c1)c1ccc(-c2ncon2)cc1,-0.9048110842704773
COc1ccc(CNC(=O)c2cc(Br)co2)cc1,-1.5285054445266724
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2086403369903564
Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1,-0.6636456847190857
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0156242847442627
C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[NH+]1CCOCC1,-1.099186658859253
C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6455312967300415
O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCc2ccc(F)cc21,-0.5785278081893921
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9180670976638794
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917231023311615
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2751498222351074
Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)c1,-1.4275388717651367
O=C(Nc1ccccn1)N1CCN(c2ccc(F)cc2Cl)CC1,-0.8148938417434692
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.518202781677246
O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2n[nH]nc2c1,-0.6010128259658813
O=C(COc1ccc(F)cc1)Nc1cccc2cc[nH]c12,-1.3532469272613525
O=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1,-1.5496175289154053
O=C(c1ccc(F)cc1)N1CCC([C@H](O)c2ccccc2)CC1,-1.2473498582839966
Cc1nc([C@H]2CCC[C@@H]2NC(=O)c2ccc(F)cc2)no1,-0.9923278093338013
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-1.0054359436035156
CCOc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1,-1.6252228021621704
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1,-0.7743993401527405
Cc1ccc(C[C@H](O)CNC(=O)Cc2ccccc2)cc1,-1.5922393798828125
CC(C)CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCCC1,-0.7716716527938843
Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.286290168762207
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1108299493789673
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45899495482444763
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.057215690612793
O=C(Nc1cccc2[nH]cnc12)N1CCC(c2ccc[nH]2)CC1,-0.9626312851905823
Cc1ccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.8787060379981995
Cc1nn(C)cc1C(=O)N1CCN(c2c(F)cc(F)cc2F)CC1,-0.09939908236265182
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.1367206573486328
CC(C)N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.0223811864852905
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2839853763580322
Cc1ccc(C[NH+]2CCN(CC(=O)c3ccccc3)CC2)cc1,-1.484397053718567
Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9564263224601746
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0639220476150513
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.028625726699829
O=C(c1ccc(Br)o1)N1CCC[C@@H](C(=O)N2CCCCC2)C1,-0.9909398555755615
Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C)CC2)cc1,-1.031087040901184
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2759617567062378
Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)o1,-1.4616129398345947
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954834938049316
CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.3715780973434448
Cc1ccc(-c2ccc(C(=O)Nc3cccnc3O)cc2)cc1,-1.2217172384262085
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)ccc1O,-1.1210929155349731
CC(=O)N1CCN(c2ccc(C(=O)N3CCCC3)cc2)CC1,-1.1433261632919312
CC(C)(C)CNC(=O)NC[C@@H](O)C1CC[NH2+]CC1,-1.6462024450302124
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.1622426509857178
[NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-0.8412546515464783
O=C(c1ccc(Cl)nc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.1689404249191284
Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)nc1,-1.2738714218139648
Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-1.0517938137054443
Cn1cc(NC(=O)Cc2ccccc2)c(C2CCCC2)n1,-1.3454875946044922
Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1509777307510376
Cc1ccc(NC(=O)c2cc(-c3nc(C)no3)[nH]n2)cc1,-1.017287015914917
CC1CCCN(CCSc2nnc(-c3ccc(F)cc3)o2)C1,-0.9593707919120789
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3505122661590576
Cc1cccc(NC(C(=O)c2ccccc2)c2ccccc2)c1,-1.4518393278121948
Cn1ccc([C@H]2CC[C@@H](NC(=O)c3cccc(Br)c3)C2)n1,-0.9468229413032532
C[NH+]1CCCN(C(=O)[C@@H]2CCC[NH+](CC3CCCCC3)C2)CC1,-1.2778804302215576
Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)no1,-1.043156385421753
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3905324935913086
Cc1occc1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.2308712005615234
C[NH+](C)C1CCN(C(=O)N2CCC(C(F)(F)F)CC2)CC1,-0.8386938571929932
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3754161596298218
Cc1ccc(Sc2ccc(CN3CCN(C)CC3)cc2)cc1,-1.3013585805892944
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.125124454498291
O=C(COc1ccc(F)cc1)Nc1cccc2[nH]ccc12,-1.3505257368087769
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.199657917022705
Cc1nnc(N=C(O)CC2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1,-0.5566520094871521
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.9417120218276978
O=C(c1cc(Cl)ccc1F)N1CCN(Cc2ccccc2)CC1,-0.9510723948478699
Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1283787488937378
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9181283712387085
O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2505301237106323
CC1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4621286392211914
O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.11606764793396
C[C@H]1CN(C(=O)c2cccc(Cl)c2)CC[NH+]1Cc1ccccc1,-1.0586330890655518
CC1(C)CN(C(=O)NCc2nc3ccccc3[nH]2)CCO1,-1.3116412162780762
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9491276144981384
O=C1COc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2N1,-1.0373257398605347
O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.8299671411514282
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1,-1.202575922012329
Cc1cnc(Nc2ccc(NC(=O)CC(C)C)cc2)nc1,-1.2638719081878662
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2146117687225342
Nc1ccc(CNC(=O)NC2CCCCC2)cn1,-1.6118030548095703
C[SH](=O)(O)c1ccc(C(=O)NCC2CCCCC2)cc1,-1.6129512786865234
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1569322347640991
Cc1ccc(CNC(=O)[C@@H]2CCC3(CC3)C2)cc1C,-1.3812494277954102
O=C(NCc1cc2ccccc2o1)N1CC[NH+]2CCCC[C@@H]2C1,-1.1013011932373047
C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4511464834213257
Cc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-0.8946490287780762
Fc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.1254278421401978
O=C(NCc1ccc(F)cc1)OC1CCCCC1,-1.6602579355239868
O=C(c1ccc(F)cc1O)N1CCC(Cc2ccccc2)CC1,-1.2437434196472168
O=C(NCc1cccc(O)c1)N1CCCC2(CCCC2)C1,-1.5456851720809937
CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.246180772781372
O=C(Cc1ccc(O)cc1)NC1C[NH+](C2CCCCC2)C1,-1.5657893419265747
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.9613007307052612
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.3868852853775024
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9201197028160095
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0472029447555542
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1945016384124756
CCOc1cccc(CN2CCC(C(=O)O)C2)c1,-1.6946462392807007
O=C(Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1,-1.5007983446121216
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.0501869916915894
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0684599876403809
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2648303508758545
CCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1,-1.5610198974609375
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665087938308716
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8312451839447021
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0590792894363403
Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9972235560417175
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccn2)C1,-1.6367872953414917
CN1CCN(c2ccc(NC(=O)C3CCOCC3)cc2)C1=O,-1.2511768341064453
Cc1nn(C)cc1C(=O)NCc1ccc2c(c1)OCCO2,-1.0577679872512817
O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0941334962844849
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2s1,-0.7921252846717834
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9118187427520752
O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-1.1074446439743042
CCCOC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C[C@H]1C,-0.9921261668205261
COc1cccc(C(=O)Nc2ccc3c(c2)N(C)CC3)c1,-1.158277153968811
Cc1ccc(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1,-1.3771783113479614
Cc1c(C(=O)N2CCOC[C@@H]2C(C)C)cnn1-c1ccccc1,-0.8726766109466553
Cc1ccc(N2CCN(C(=O)Cc3cccc(N)c3)CC2)cc1C,-0.8795022964477539
CN(Cc1ccccc1)C(=O)Cc1ccc2c(c1)OCO2,-1.523525357246399
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.0490282773971558
COc1ccc(CNC(=O)c2cc(C)sn2)cc1,-1.4382628202438354
CCOc1ccc(NC(=O)CC(C)(C)CC(N)=O)cc1,-1.6463072299957275
C[C@H]1CN(c2ccc(OCc3ccccc3)cc2)CCN1C,-1.3812074661254883
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.96534663438797
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4543445110321045
Nc1cc(Cl)ccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccccc1,-1.0023233890533447
C[C@@H](C(=O)NCc1cc(Br)ccc1F)c1ccc(F)cc1,-0.8236744403839111
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.065654993057251
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589130282402039
O=C(Nc1ccccc1F)N1CCN(c2cccc(O)c2)CC1,-1.097780704498291
Cc1ccc(C[NH+]2CC[C@@H](NC(=O)CCC(C)C)C2)cc1,-1.5223922729492188
N#Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1,-1.5638365745544434
Cc1ccccc1NC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.0788236856460571
COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.0926614999771118
O=C(c1ccc(F)cc1O)N1CCC[C@H](Cc2ccccc2)C1,-1.1097601652145386
CCc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1,-1.3763303756713867
CN1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.2597609758377075
CS(=O)(=O)c1cccc(-c2nc(Cc3ccc(F)cc3)no2)c1,-1.063652753829956
C[C@@H]1CN(c2ccc(CSc3ccccc3)cn2)C[C@H](C)O1,-1.3079942464828491
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)o1,-1.0950981378555298
C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.5285072326660156
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0803431272506714
Cc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccc1,-0.6873869895935059
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2779492139816284
O=C(Nc1ccc(O)cn1)N1CCC(c2ccccc2Cl)CC1,-0.9077807664871216
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.107717752456665
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852443218231201
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0336371660232544
Cc1nc(-c2ccccc2)ccc1NC(=O)c1ccc(F)cc1,-0.9417275190353394
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1562793254852295
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9677942395210266
C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0125247240066528
O=C(N[C@H]1CCNC1=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0943801403045654
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2121737003326416
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9699903130531311
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625558614730835
CC(C)CCC(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1,-1.2823288440704346
Cc1cc(NC(=O)c2ccco2)n(-c2ccc(F)cc2)n1,-1.1412100791931152
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.0657610893249512
O=C(NCC[C@@H]1CCCCO1)C1CCC(O)CC1,-1.6549893617630005
Cc1ccc(CNC(=O)c2ccccc2F)c(C)c1N=CO,-0.8458226919174194
CC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.4512931108474731
Cc1ccc(C[C@H]2CCCCN2C(=O)c2ccccc2F)cc1,-1.041366457939148
CC(C(=O)Nc1ccc(-c2ccccc2)cc1)[S+]([O-])c1ccccc1,-1.1954758167266846
CC1CN(c2ccccc2)CC(C)N1,-1.7135074138641357
Cc1ccc([C@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[NH+]2C)cc1,-1.0081443786621094
Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4523378610610962
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.2501908540725708
CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](O)c1ccccc1,-1.5572969913482666
Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1,-1.0209553241729736
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.3109033107757568
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.215871810913086
O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8971135020256042
O=C(Nc1cccc(C2CCCCC2)c1)c1ccc(O)cc1O,-1.154676914215088
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8921650052070618
CN1C[C@@H](C[NH+]2CCN(CC3CCCCC3)CC2)CC1=O,-1.4396436214447021
O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,-1.4084153175354004
O=C(Nc1cc(F)ccc1O)N1CCC(C2CCCCC2)CC1,-0.9115551114082336
Cc1ncccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9255524277687073
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0436592102050781
O=C(Nc1cc(N2CCOCC2)ccc1F)c1ccc(Cl)nc1,-0.8691675066947937
O=C(NCc1cccc(Cl)c1)Nc1ccccc1,-1.6231609582901
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2066035270690918
O=C(Nc1ccc(F)cc1Br)C1CCN(c2ccccc2)CC1,-0.9736256003379822
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.509624719619751
NS(=O)(=O)c1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1,-0.9864840507507324
Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2023065090179443
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0593562126159668
N#Cc1ccc(N2CCN(C(=O)Nc3cccs3)CC2)cc1,-1.3639081716537476
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.542860746383667
CC1(C)CCN(C(=O)CNCc2cccc(O)c2)C1,-1.5923415422439575
[NH3+][C@H](CC(=O)NCc1ccc(F)cn1)c1ccc(Br)cc1,-1.1661837100982666
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.077605128288269
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0626779794692993
O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4827367067337036
O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1F,-0.802470326423645
O=C(NCC1CCOCC1)Nc1ccc(F)cn1,-1.6193982362747192
Cc1noc(SCC(=O)OCc2ccccc2)n1,-1.6227068901062012
COc1ccc(C[NH+]2CCN(c3nc4ccccc4[nH]3)CC2)cc1,-1.1386345624923706
Cn1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)n1,-1.0616052150726318
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(I)cc1,-1.0804287195205688
Cc1ccc(NC(=O)N2CCC(c3ccccc3N)CC2)cc1,-1.0522549152374268
CC(=O)Oc1ccc(CN2CCC3(CCCO3)CC2)cc1,-1.5970391035079956
CC1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2268608808517456
Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2332557439804077
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2312850952148438
CC1(C)CN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCO1,-1.229499340057373
C[NH+]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9454982280731201
C[C@H]1CCC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)CC1,-1.4369604587554932
O=C(C1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2307378053665161
Oc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1762038469314575
O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1F)C1CCOCC1,-0.8597574234008789
O=C(c1cccc(F)c1Cl)N1CCN(CC2CCCCC2)CC1,-0.7955039739608765
O=C(Cn1ccc2ccc(Br)cc21)NCc1ccccc1,-1.2702291011810303
COc1ccc(CNC(=O)c2cc(Cl)sn2)cc1,-1.271207332611084
O=C(C[C@H]1C[C@@H]2CCCC[C@@H]2O1)NCc1ccc(Br)cc1,-1.3290704488754272
O=C([C@@H]1CCN(c2ccccc2F)C1=O)N1CCC2(CCCCC2)C1,-0.8131129741668701
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.149080514907837
Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9582362174987793
CC1(NC2CCCCC2)CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3524421453475952
N#Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1,-1.208802580833435
COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0367248058319092
Fc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl,-1.1204249858856201
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]2CCC[C@H]2C1,-0.773631751537323
Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1Cl,-0.9671553373336792
Cc1cc(F)ccc1C(=O)Nc1ccccc1-c1ccccc1,-1.0466787815093994
Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1508638858795166
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.5081021785736084
C[C@H](CNC(=O)C[NH+]1CCOCC1)Cc1ccc(F)cc1,-1.6035503149032593
O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(CC(F)(F)F)cc1,-1.0277148485183716
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2068270444869995
O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1,-1.5872628688812256
O=C(NCCc1cccc(O)c1)N1CCC2(CCCC2)C1,-1.6045997142791748
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389459133148193
O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCc2ccccc21,-0.7140240669250488
Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)cc1,-0.5879917144775391
O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccnc1,-1.203418493270874
Cc1cnccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1538288593292236
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.165269374847412
COc1ccc(C(=O)NCc2ccc(C)s2)cc1,-1.5731803178787231
CCCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.2431509494781494
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172305464744568
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0422415733337402
N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.3462295532226562
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.143383264541626
O=C(NCc1cccc(O)c1)N1CCOC2(CCCC2)C1,-1.5828518867492676
[NH3+][C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.0376402139663696
C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.9872913956642151
C[NH+]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3Cl)cc2)C1,-1.0682554244995117
O=C(N[C@H]1CCCO[C@H]1c1ccccc1Cl)c1ccc(O)cc1,-1.0353916883468628
C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.1561583280563354
CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0123536586761475
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Cl)c2)n[nH]1,-0.9893977642059326
Fc1ccc(-c2ccc(CNc3cccc(Br)c3)cc2)cc1,-1.135643720626831
Cn1cc2c(n1)CN(C(=O)NCc1cccc(F)c1)CC2,-0.9438568353652954
CN1CCN(c2ccccc2NC(=O)c2ccccc2)C1=O,-1.190320611000061
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-1.073682188987732
Cc1ccc(CC[NH+]2CC[C@](O)(Cc3ccccc3)C2)cc1,-1.5586395263671875
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4813734292984009
C[NH+]1CC[C@@]2(CCCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1,-0.9045161604881287
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.135151982307434
O=C(NCC1CCOCC1)N1CC[C@@H](O)C2(CCCC2)C1,-1.542854905128479
O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.87579745054245
Cc1ccc(CN2CCN(C(=O)C3CCCCC3O)CC2)cc1,-1.1725527048110962
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.2993651628494263
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.167706847190857
C[NH+]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)CC1,-1.0629702806472778
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3964895009994507
CC1(O)CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1,-1.5246410369873047
O=C1C[C@H](C(=O)NC2CCN(c3ccccc3)CC2)CCN1,-1.3028451204299927
O=C(CC1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1,-1.308430552482605
Cc1nc2cc(CNC(=O)[C@@H](C)[NH+]3CCCC3)ccc2o1,-1.130056381225586
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3390096426010132
CC(C)[C@H](O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5218614339828491
CC1(C)CN(c2ccc(CNc3ccccc3)cc2)CCO1,-1.5545949935913086
CC(C)(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1,-1.5227388143539429
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(O)cc1F,-1.070553183555603
OC(CN1CCC(Cc2ccccc2)CC1)=NCc1cccs1,-1.4741508960723877
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.9977096319198608
O=C(N1CCC[C@@H]1c1ccccc1)C1(c2ccccc2)CCC1,-1.332552194595337
O=C(NCC1CC(F)(F)C1)N1CCOC2(CCC2)C1,-1.551573395729065
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5594874620437622
Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CCOCC2)cc1,-1.4694995880126953
Clc1cccc(-c2ccc(Cl)cc2OCc2ccccc2)c1,-1.1051827669143677
COc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1,-1.0874477624893188
[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.8339661359786987
Cc1ccc(Cl)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1,-0.8821002244949341
COc1ccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1,-1.1231521368026733
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1,-1.0933289527893066
CN1CCN(c2ccc(NCc3ccc(O)cc3)cc2)CC1,-1.523111343383789
Cc1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)ccc1Cl,-1.0718122720718384
CN=C(O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1F,-0.8205690979957581
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3716702461242676
Cc1ccc(C)c(NC(=O)C2CCN(c3ccccc3)CC2)c1,-1.1127803325653076
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.4220319986343384
O=C1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)CN1,-1.1202917098999023
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.04264497756958
CS(=O)(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.103554606437683
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678310632705688
O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2ccccc2)cc1,-1.3523858785629272
COc1ccc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1,-1.2822880744934082
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.0171083211898804
Cc1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1,-1.078635573387146
Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1,-1.4636414051055908
CCOC(=O)C(=O)N1CCN(c2noc3ccccc23)CC1,-1.1464632749557495
CC(C)CCC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9412670731544495
Cn1cc(NC(=O)NCc2ccccc2I)cn1,-1.416422963142395
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncccc2Cl)CC1,-0.7560901045799255
O=C(c1noc(Cc2ccccc2)n1)N1CCc2ccccc21,-1.1740680932998657
O=C(Cn1cnc2ccccc21)NCc1cccc(S)c1,-1.287834882736206
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.0813757181167603
Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.957612931728363
CC(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.0765457153320312
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5180602073669434
Cc1cc2cc(CNC(=O)[C@@H]3CCC[NH+](C)C3)ccc2o1,-1.2136211395263672
Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](C)C(C)C)CC2)cc1,-0.9489813446998596
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.1893194913864136
C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2cccc(Br)c2)C1,-1.3137969970703125
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1061800718307495
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.5502753257751465
c1csc(-c2ccc(NCc3ccc4c(c3)OCO4)cc2)n1,-1.2102313041687012
c1ccc(C[NH+]2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.385039210319519
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1Cl,-0.6742928624153137
Cc1ncc(F)c(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1,-0.7445691823959351
O=C(CCc1ccccc1)Oc1ccc(C(F)(F)F)cc1,-1.517536997795105
Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.241284728050232
CC1(C)CCN(C(=O)C2CC[NH+](Cc3cccs3)CC2)C1,-1.342365026473999
CC1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-1.0381771326065063
O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.9390668272972107
Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.1631791591644287
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCO[C@@H]1c1cccc(F)c1,-1.0707550048828125
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9426801204681396
O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1F,-0.9772826433181763
CCc1ccc(C(=O)NCc2nc(C)no2)cc1,-1.5003856420516968
O=C(Nc1ccc2[nH]ncc2c1)c1ccn(-c2ccccc2)n1,-1.0608279705047607
Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)c1,-1.568263053894043
C[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1,-1.2156009674072266
O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2s1,-0.861184298992157
CCCCC(=O)NC1CCN(C(=O)N2CCC(O)CC2)CC1,-1.3908677101135254
Clc1ccc(CN[C@@H]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1,-1.0989733934402466
O=C(NCCC1CCCCC1)N1CCOC2(CCCCCC2)C1,-1.5508023500442505
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2247262001037598
O=C(Nc1ccc(I)c(F)c1)c1ccc(C(=O)[O-])nc1,-0.9675574898719788
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1313045024871826
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0495047569274902
C[NH+]1CCN(c2ccc(NCc3ccc(I)cc3)cc2)CC1,-1.1637701988220215
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.931969165802002
CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1,-1.4815504550933838
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.21942138671875
O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.1786458492279053
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3267289400100708
[NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.037070631980896
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5903922319412231
O=C(NCCC[NH+]1CCOCC1)c1cc(F)c(Cl)c(F)c1,-0.8605819940567017
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3362369537353516
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0819562673568726
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.455073356628418
O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.5373624563217163
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.017250657081604
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0273337364196777
O=C(Cc1cc2ccccc2[nH]1)NCc1ccc(O)cc1,-1.4824705123901367
c1cc(N2CCOCC2)ccc1C[NH+]1CCC(c2nn[n-]n2)CC1,-1.0652862787246704
O=C(c1cc(F)ccc1Cl)N1CCC(Oc2ccccc2)CC1,-1.1299724578857422
Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9365014433860779
O=C(NCc1cccc(O)c1)Nc1ccccc1,-1.6899830102920532
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.1571871042251587
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3638174533843994
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.085729718208313
C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc3nc[nH]c3c2)C1,-1.020607352256775
O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.072004795074463
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0353859663009644
Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccn2)CC1,-0.9585909247398376
N=C(O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1,-1.395987629890442
CCc1cccc(C(=O)NCc2ncc(C)s2)c1,-1.3027387857437134
Cc1cc(Br)ccc1NC(=O)Cc1ccc(C(C)C)cc1,-1.0660340785980225
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(I)c1,-1.0108016729354858
O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.189429521560669
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1F,-0.9208433628082275
C[C@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2883116006851196
Cc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0926982164382935
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.903624951839447
Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2o1,-1.1959474086761475
C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0561258792877197
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9319204688072205
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.343800663948059
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.083251714706421
Cc1ccc(C(=O)Nc2nnn(C)c2-c2ccccc2)o1,-1.0684152841567993
Cc1nc(SCCC(=O)N2CCN(c3ccccc3)CC2)no1,-1.113100290298462
C[NH+]1CCC(C(=O)N2CCC(Oc3ncccc3F)CC2)CC1,-1.0047061443328857
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2588882446289062
Oc1ccc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)cc1,-1.3892366886138916
CNCc1ccc(Br)cc1,-1.8069888353347778
CSc1ccc(NC(=O)C(=O)N2CCC23CCOCC3)cc1,-1.3794313669204712
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4219682216644287
CS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1F,-1.294085144996643
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.258856177330017
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2cnn(C)c2)o1,-1.1287387609481812
CC(=O)N1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1,-1.353096604347229
Cc1cccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)c1,-1.2174352407455444
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4199649095535278
C[C@@H]1CCC[NH+](CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1,-1.2691528797149658
Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-1.1435527801513672
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.110568881034851
O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9044663310050964
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cn1,-1.1021442413330078
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536168813705444
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300021409988403
CCN1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.0576093196868896
Clc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.2224622964859009
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.9177239537239075
O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.1830670833587646
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.134077548980713
O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.659608244895935
CC[C@H]1CN(C)C(=O)CN1C(=O)Nc1ccc(Br)cc1,-0.9986577033996582
N#Cc1cccc(NC(=O)c2ccc(-c3ncco3)cc2)c1,-1.331547737121582
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801584243774414
O=C(c1ccc(O)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2503327131271362
COc1ccc(NC(=O)[C@H]([NH3+])Cc2ccc(F)cc2)cc1,-1.4426662921905518
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1531195640563965
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)o1,-1.2295597791671753
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(Cl)c1,-0.922572910785675
O=C(CC1CCOCC1)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.3048853874206543
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2272937297821045
O=C(N[C@H]1CCO[C@H]1c1ccccc1)[C@H]1CCCC12CCCC2,-1.3803306818008423
C[C@H]1COc2cccc(CNC(=O)c3ccc(Cl)s3)c2O1,-1.0541090965270996
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758632183074951
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9602989554405212
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCC1,-1.2493607997894287
O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2273831367492676
COCc1ccc(NC(=O)c2ccc(C)o2)cc1,-1.6438965797424316
O=C(NCc1ccc(Cl)c(F)c1)c1ccc2[nH]ncc2c1,-0.9282151460647583
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(F)cc2F)C1,-1.071392297744751
O=C(NC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1,-1.5219895839691162
O=C(NCc1ccc(Br)cn1)N1CCC2(CCCCC2)C1,-1.2453206777572632
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.905611515045166
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.872685432434082
Cc1nc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)co1,-1.1031646728515625
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016391515731812
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5635737180709839
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.375081181526184
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.010325312614441
C[C@H]1CCC[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2=O)C1,-1.2603838443756104
Cc1ccc2cccc(C(=O)N3CCN(C4CCC(C)CC4)CC3)c2n1,-0.5493786931037903
Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0479592084884644
O=C(CNC(=O)c1ccccc1)Nc1ccccc1,-1.716003179550171
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(O)c1,-1.4972963333129883
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.0682069063186646
CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-0.9581186771392822
Cc1ccccc1C(=O)N1CCC[C@@H](Oc2ccc(F)cc2)C1,-1.2616345882415771
Nc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.1851062774658203
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.152933955192566
Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1,-1.1466102600097656
Cc1ccc(NC(=O)c2ccc(F)cc2[S+]([O-])C2CCOCC2)cc1,-0.9201329350471497
[NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccccn2)C1,-1.6204257011413574
Cc1ccc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.1659916639328003
O=C(N[C@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4107872247695923
Cc1ccc(CN2CCN(C(=O)C(C)(C)CC(=O)[O-])CC2)cc1,-1.2120031118392944
CC(C)c1cc(NC(=O)NC2CCOCC2)[nH]n1,-1.5768232345581055
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.8874161243438721
Nc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1,-1.4455565214157104
O=C(C[NH+]1CCCC2(CCCCCC2)C1)NCc1ccccc1,-1.566077709197998
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1148160696029663
O=C(Nc1ccc(O)cc1)c1ccc(CC(F)(F)F)cc1,-1.2964856624603271
Cc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)o1,-1.218814492225647
NC1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.2505542039871216
O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1,-1.5029500722885132
CCOc1ccc(NCCc2ccc(Br)cc2)cc1,-1.5300111770629883
COc1ccc(C2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.2896716594696045
Cc1cc(C(=O)Nc2scnc2-c2cccc(Cl)c2)no1,-0.8783419728279114
Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1,-1.3060673475265503
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9056228995323181
O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-1.0042872428894043
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0106521844863892
Nc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3830045461654663
Cc1nc(CNC(=O)CCc2cc3ccccc3o2)cs1,-1.2504174709320068
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2N)cc1,-1.109254240989685
Cc1ccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)cc1,-1.1370826959609985
Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.2173151969909668
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6782863140106201
CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCC(O)CC1,-1.5050716400146484
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0663856267929077
O=C(NC(CO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1,-0.7560685276985168
O=C(N=c1cc[nH][nH]1)c1ccc(OCc2ccccc2)cc1,-1.535811424255371
Cc1ccccc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-0.9224914908409119
COC(=O)N1CCC(C(=O)NC2CCCCC2)CC1,-1.5714219808578491
NS(=O)(=O)c1cccc(NC(=O)NC2CCCC2)c1,-1.5809051990509033
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.343762755393982
Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.135142207145691
C[NH+]1CC[C@H](NC(=O)N2CC[C@@H](c3ccc(Br)cc3)C2)C1,-1.1398179531097412
O=C(NCC(=O)N1CCS(=O)(=O)C1)C1CCCCCC1,-1.612562894821167
O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8971246480941772
COc1ccc(C(=O)NCc2ccc(C)s2)cc1,-1.6173752546310425
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4068745374679565
CC(C)c1ncc(C(=O)NCc2ccccc2)s1,-1.4171956777572632
C[NH+]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.4231687784194946
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[C@H](F)C1,-1.143713355064392
O=C(c1cccc(F)c1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0035104751586914
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2500947713851929
O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7274336814880371
O=C(NCc1ccc(F)cc1)C(=O)N1CCC[C@@H](O)C1,-1.5594242811203003
CC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(Br)s1,-1.1881662607192993
Cc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1,-0.9872286319732666
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2F)CC1,-0.9688459634780884
N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1,-1.0761901140213013
CC1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1,-1.5456881523132324
Nc1ccc(CNc2cc(N)ccc2-c2ccccc2)cc1,-1.2028419971466064
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0284533500671387
O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cccs1,-0.9881733059883118
NC(=O)CC1CCC(NC(=O)c2ccc(N)cc2)CC1,-1.5110012292861938
O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.6615327596664429
O=C(NCC1CCCN1C(=O)O)c1cccs1,-1.6058270931243896
Cc1ccc(OCc2noc(-c3ccc(O)cc3)n2)c(C)c1,-1.1274917125701904
CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1,-1.5630457401275635
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934386014938354
Nc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0597478151321411
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0395170450210571
CC1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1,-1.2889554500579834
C[C@@H]1CN(C(=O)c2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1,-1.1792430877685547
C[C@H]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.311764121055603
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0831923484802246
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.0914337635040283
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cn1,-0.9288878440856934
O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCOCC2)CC1,-0.9631720781326294
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1985236406326294
Cc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1,-0.9930177927017212
Cn1cc(CNC(=O)Cc2ccc(F)c(Br)c2)cn1,-1.1040674448013306
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9573056697845459
CC(C)(O)CC(=O)NC[C@@H]1CCCN(c2ccccc2)C1,-1.5726079940795898
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3082709312438965
COc1ccc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)cc1,-1.3924287557601929
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0196559429168701
Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1,-1.4830822944641113
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0339276790618896
Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.2432022094726562
CC(C(=O)Nc1ccc(-c2ccccn2)cc1)N1CCCCC1,-1.2394866943359375
Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0275603532791138
Cc1ccc(CNC(=O)N2CCc3cn(C)nc3C2)cc1,-1.0085241794586182
O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9546155333518982
Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1,-0.6681700348854065
Cc1ccc(NC(=O)C(=O)Nc2ccc(O)cc2)cc1,-1.5599300861358643
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(Cl)cc2)CC1,-0.7691300511360168
Cc1cnc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-0.9818019270896912
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.283130168914795
C[C@@H]1C[C@H](OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1,-1.504510521888733
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.300060510635376
Cc1nc2ccc(C(=O)OCC(=O)N3CCCCC3)cc2[nH]1,-1.0550386905670166
O=C(Nc1cccc(CCCO)c1)C1CCC2(CCCO2)CC1,-1.5129209756851196
CCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(S)cc1,-1.3920847177505493
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6985918283462524
CC[C@H]1CCCN1C(=O)NCc1cccc(I)c1,-1.3680685758590698
O=C1CN(Cc2ccc(Cl)cc2)CN1Cc1ccccc1,-1.4685752391815186
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.550402045249939
O=C(N[C@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2388014793395996
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1Br,-1.036482810974121
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4664562940597534
O=C(NCc1ccc(F)c(F)c1)c1cnc2[nH]cnc2c1,-0.7680309414863586
Cn1ccc(NC(=O)c2scnc2-c2ccc(F)cc2)n1,-0.8876554369926453
CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1064839363098145
Cc1ccc(-c2ccc(NCc3cccc(N)c3)cc2)cc1,-1.3167855739593506
Cc1cc(N)ccc1C(=O)NCc1ccc2c(c1)CCC2,-1.0113023519515991
FC1(F)CCC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1,-1.2641682624816895
Cc1ccc2nc(C3CCN(C(=O)c4cccc(F)c4)CC3)ccc2c1,-0.5236598253250122
Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0226484537124634
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2718753814697266
Cc1cccc(C(=O)N[C@H]2CCN(c3nnc(C)s3)C2)c1,-0.8726243376731873
CC1(C)CCN(C(=O)NCc2ccc(Br)c(N)c2)C1,-1.1908495426177979
Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1ccccc1,-1.1216694116592407
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0074900388717651
Clc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl,-1.0549181699752808
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0764340162277222
O=C(Nc1ccc(F)cc1)c1cccc(C(O)=Nc2ccccc2)c1,-1.2602789402008057
O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Br)CC1,-0.9903032779693604
O=C(NCCCO)c1ccc(OC2CCCCC2)cc1,-1.6196495294570923
CC[C@@H]1CCCN1C(=O)NCc1cccc(I)c1,-1.371372938156128
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(F)c2)cn1,-1.1435304880142212
CC(C)(C)Oc1ccc(C(=O)CCc2ccccc2)cc1,-1.5927387475967407
COc1ccc(C(=O)Nc2ccc3c(c2)CCOC3=O)cc1,-1.174506425857544
Cc1nc2cc(CNC(=O)C3CC[NH+](C)CC3)ccc2o1,-1.0649094581604004
O=C(Cc1ccc(F)cc1)N[C@H]1CC[NH+](C2CCCC2)C1,-1.3946080207824707
Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2649646997451782
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3322696685791016
Brc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.0748804807662964
Cc1ccc(-n2nc(C(=O)N3CCC4(CCOCC4)CC3)cc2C)cc1,-0.8551578521728516
Cc1cccc(CC(=O)Nc2cccc(C)c2S(N)(=O)=O)c1,-1.1693724393844604
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0781790018081665
CC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1,-1.5853495597839355
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.274626612663269
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6531846523284912
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3140208721160889
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccccc2)c(C)c1,-1.218187689781189
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202185153961182
Cc1ccc(NC(=O)N2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1,-1.0059643983840942
Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.214005947113037
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0368980169296265
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4911854267120361
C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3F)CC2)CC1,-0.9864380955696106
Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1,-0.9893649220466614
C[C@@H]1C[NH+](Cc2ccccc2)[C@H](Cc2ccc(F)cc2)CO1,-1.4861971139907837
c1ccc(CN2CCN3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1,-1.4042572975158691
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1103047132492065
CS(=O)(=O)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)s1,-1.1088593006134033
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0317429304122925
Cn1cnc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)ccc21,-1.0132265090942383
Cc1cccc(C(=O)N2CCCC[C@H]2CC2CCCCC2)c1F,-0.8889955878257751
Fc1ccc(C[NH+]2CCC[C@H](Cc3ccc(Cl)cc3)C2)cc1,-1.3195075988769531
CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.249271035194397
CCn1c(C)cnc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-0.7889984846115112
Cc1ccccc1CNC(=O)C(C)(O)CC1CCCCC1,-1.5481785535812378
Cc1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1,-0.8745926022529602
O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ncc2c1,-1.3605084419250488
C[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1426023244857788
CCCOc1ccc(NC(=O)N2CCCC[C@H]2C)cc1,-1.559049367904663
O=C(NCCCNc1ccccc1)c1ncccc1Br,-1.4774434566497803
Cc1nc2c(o1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-1.001968502998352
CC(=O)OCCCNC(=O)c1ccc(Cl)nc1,-1.6160413026809692
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.1669508218765259
Cc1ccc(N2CC[C@H](NC(=O)c3ccn(C)n3)C2)cc1,-1.1495918035507202
O=C(Nc1ccccc1F)N1CCC(c2cccc(F)c2)CC1,-0.965990424156189
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1777050495147705
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617080688476562
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5102880001068115
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653632640838623
Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7854419350624084
C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1,-1.5189051628112793
CC(NC(=O)Cc1ccc(Br)cc1)C(=O)N1CCCC1,-1.294969916343689
Cc1cccc(CNC(=O)N2CC(C)(C)C2(C)C)c1,-1.3226253986358643
Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2194187641143799
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1,-1.2908490896224976
Cc1ncc(C(=O)NCC(C)C)c(-c2ccc(N)cc2)n1,-0.7262221574783325
Cc1ccc(C[C@H]2CCN(C(=O)c3cc(C)on3)C2)cc1,-1.281561255455017
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Br)cc1,-1.234092116355896
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2310971021652222
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2258245944976807
Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.706281304359436
O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1,-1.2597556114196777
Cc1nocc1CNC(=O)N1CCC[C@]2(CC[NH+](C)C2)C1,-1.3013575077056885
Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1Cl,-1.006047248840332
O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1ccc2[nH]ncc2c1,-1.0998687744140625
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)nc1,-0.8988783955574036
Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(O)c1,-1.189623236656189
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.9026713371276855
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0294444561004639
Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.4749077558517456
Cc1ccc(C(=O)N2CCc3nnc(-c4ccc(F)cc4)nc3C2)cc1,-0.330882728099823
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2282609939575195
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0912309885025024
Nc1cccc(-c2noc(COc3ccc(Cl)cc3F)n2)c1,-0.8733376264572144
O=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ccc2n1,-0.8780725598335266
Cc1ccc(CC(=O)CCCC(=O)Nc2ccccc2)cc1,-1.567696452140808
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1411583423614502
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.5174262523651123
COc1cccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1,-1.1160588264465332
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.025797963142395
O=C(O)c1cccc(CNCc2ccccc2)c1,-1.6725369691848755
c1ccc(COCC2(c3ccccc3)CCC2)cc1,-1.7165896892547607
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1816097497940063
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1921629905700684
Fc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3191378116607666
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.494960904121399
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2693538665771484
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1,-0.8457517027854919
CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.0746705532073975
O=C(c1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1,-1.3876607418060303
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.4125503301620483
CS(=O)(=O)c1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1,-0.9512301087379456
CC[C@@H]1CCCN(C(=O)NCc2ccn(C)n2)C1,-1.4724677801132202
O=C(COc1ccccc1F)N1CCN(C2CCCCC2)CC1,-1.2284482717514038
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.036717176437378
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.437638521194458
CC(C)NC(=O)c1ccc(NNC(=O)c2ccccc2)cc1,-1.454254150390625
Cc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1,-1.004697322845459
COc1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)cc1,-1.4738578796386719
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9623687863349915
O=C(Nc1ccccc1)c1cc(-c2ccccc2)nc(O)c1O,-1.0228031873703003
CCCCN=C(O)C1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.0898569822311401
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.5192346572875977
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.381973147392273
Fc1ccc(CNC2CCCC(c3ccc(F)cc3)C2)cc1,-1.2303035259246826
C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3502110242843628
O=C(Nc1ccccc1)C(=O)Nc1ccc2ccccc2c1,-1.465856909751892
O=C(NCC1(O)CCCCC1)c1ccc2c(c1)CCCC2,-1.5560349225997925
CCC(C)(C)NC(=O)c1ccccc1,-1.7983485460281372
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0699965953826904
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9624190926551819
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.086422085762024
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.45222008228302
CC1(C)CC[C@@H](C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)C1,-0.9267298579216003
CN(C(=O)Cn1nnnc1-c1ccccc1)c1ccc(Cl)cc1,-0.913735568523407
COc1ccc(C(=O)NC(=O)c2ccccc2)cc1,-1.6114422082901
C[NH+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1,-1.2367349863052368
Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.416168212890625
C[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC3(CCOCC3)O2)C1,-1.5774714946746826
Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1Cl,-1.1682404279708862
CN1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1,-1.512743353843689
O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.0129201412200928
c1ccc(-c2nc(N3CC[NH+](CC4CCCCC4)CC3)no2)cc1,-1.2129472494125366
Cc1cccc(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1,-1.2244466543197632
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2084935903549194
Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.1997689008712769
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3s2)cc1,-1.0031037330627441
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9891837239265442
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0788654088974
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0626801252365112
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.4401506185531616
OC(=NOCc1ccccc1)C1CCCN1Cc1ccccc1,-1.5320602655410767
CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1178869009017944
O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-0.9697936177253723
O=C(NCc1ccc(I)cc1)c1cc2ccc(F)cc2[nH]1,-1.0097229480743408
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2688477039337158
CCCCCNC(=O)C(=O)N1CCC(c2nnc(C)s2)CC1,-0.9024098515510559
O=C(NCc1ccc(Cl)cc1)[C@H]1CCC2(CCOCC2)C1,-1.5006686449050903
Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0283796787261963
COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9322805404663086
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1,-1.0805965662002563
CC(N)CNc1ccc(OCc2ccccc2)cc1,-1.6413482427597046
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.2641595602035522
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0366069078445435
Cc1ccc(O)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-1.1492643356323242
Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1960588693618774
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.415513277053833
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)C[NH2+]CC2,-1.058990716934204
CCCCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1,-1.2877159118652344
c1ccc(Cn2ccnc2N2CCN(c3ccccc3)CC2)cc1,-1.279716968536377
CC(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(O)cc2)C1,-1.2698452472686768
Cc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3543161153793335
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604650020599365
Cc1ccc2cc(C(=O)NCc3ccnc(C)n3)oc2c1,-0.980192244052887
C[C@H](NC(=O)c1ccc(O)cc1)[C@@H]1CCC12CCCCC2,-1.3451197147369385
N#Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1,-1.357055902481079
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.1965607404708862
Cc1ccc(NC(=O)c2cccc(C(N)=O)c2)cc1C,-1.1852024793624878
C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1,-1.480147123336792
Cc1ccc(C2CCN(C(=O)NCC(C)(C)C)CC2)cc1,-1.2203503847122192
O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2[nH]1,-0.8917012810707092
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.0491888523101807
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9619154930114746
C[C@@H](C(=O)NCc1ccc(F)cc1F)c1ccc(F)cc1,-0.9044085741043091
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0145752429962158
O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1,-0.9157207012176514
CCc1nc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)s1,-0.4576719403266907
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.0376578569412231
CC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1,-0.9956822395324707
Oc1ccc(CC2CCCN(Cc3ccccc3)C2)cc1O,-1.4618457555770874
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2267279624938965
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0145337581634521
O=C(CCC(F)(F)F)N[C@@H]1CC[NH+](Cc2ccccc2)C1,-1.4875015020370483
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2514146566390991
Cc1nc2cc(CNC(=O)Cc3ccccc3)ccc2[nH]1,-1.270675539970398
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.208730936050415
CCN1CCN(C(=O)C2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.8807331323623657
Cc1ccc(C(=O)N[C@@H]2CCCN2c2ncc(C)s2)cc1,-0.9892832040786743
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0427361726760864
C[C@@H]1C[NH+](C[C@@H]2CCCN(C(=O)C3CCCCC3)C2)CCCO1,-1.3749769926071167
C[NH+]1CCN(c2ccc(CC(=O)Nc3ccccc3)cc2)CC1,-1.4632952213287354
CC1CCC(NC(=O)NCC2CCOCC2)CC1,-1.6514332294464111
C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.2983894348144531
Cc1cccc(C(=O)N[C@H]2CCCC[C@H](c3ccccc3)C2)c1,-1.312604546546936
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0300720930099487
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124924421310425
c1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1,-1.4776092767715454
Cc1oc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1-c1ccccc1,-1.4645127058029175
O=C(Cc1ccccc1)N1CCN(Cc2ccc(O)cc2)CC1,-1.4848103523254395
Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cn1,-0.9905268549919128
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0904639959335327
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.299261450767517
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.239651083946228
CCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.11649751663208
Nc1c(F)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F,-0.46358686685562134
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0128214359283447
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0255483388900757
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.263087511062622
Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.2280409336090088
COC1CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-1.1359319686889648
Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.1462862491607666
Cc1ccc(N2CCC([NH2+]Cc3cccc(I)c3)CC2)cc1,-1.2610243558883667
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5259528160095215
Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cn1,-1.2102110385894775
C[NH+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.3330605030059814
O=C(Cn1cnc2ccccc21)NCc1ccc(I)cc1,-1.13286292552948
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9573097825050354
Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.1657060384750366
CC(C)[NH+]1CCC(NC(=O)c2ccc(F)c(Cl)c2F)CC1,-0.4439239799976349
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0841054916381836
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.080294132232666
O=C(CCc1ccc(Cl)nc1)Nc1ccc(-c2nn[n-]n2)cc1,-0.918479859828949
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2755272388458252
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0835322141647339
COc1ccc(N2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1,-1.2150955200195312
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5742989778518677
C[C@H](C(=O)N1CCC(NC(=O)C(C)(C)C)CC1)C(F)(F)F,-0.7453652620315552
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.1460816860198975
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.227737545967102
Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.2719069719314575
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4988771677017212
NC(=O)c1ccccc1,-1.9995477199554443
Cc1ccccc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.9861655235290527
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.3656961917877197
Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cn1,-1.0849355459213257
CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.297752857208252
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.947643518447876
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.133002758026123
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(N)c1,-0.9640974998474121
Fc1ccc(-c2ccc(NCc3cccc(Cl)c3)nc2)cc1,-1.0378893613815308
O=C(C[NH+]1CCc2occc2C1)NCc1ccc(F)cc1,-1.383383870124817
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.302800178527832
CC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1,-1.1594270467758179
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5421591997146606
Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9418994784355164
COC1(C)CCN(C(=O)NCc2ccccc2)C1,-1.6993070840835571
CC(C)C(C)(NC(=O)c1ccc(F)cc1)c1ccccc1,-1.232344150543213
O=C(N[C@H]1CCNC(=O)[C@H]1c1ccccc1)c1ccccc1,-1.2956606149673462
CCN1CCN(C2CCN(C(=O)c3cccc(F)c3)CC2)CC1,-0.9072652459144592
O=C(Nc1ccc(N2CCSCC2=O)cc1)c1ccccc1,-1.2666795253753662
C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@]1(C)c1ccc(F)cc1,-0.7387838363647461
Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0191034078598022
Cc1ccc(F)c(NC(=O)C2CCN(c3ccccc3)CC2)c1,-1.0345500707626343
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003843784332275
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-0.9689292311668396
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.026759147644043
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.042266607284546
O=C(Cc1ccc(Br)cc1)NCc1c[nH]c2ccccc12,-1.1965235471725464
O=C(NCc1ccc(F)cc1)c1ccc2[nH]c(O)nc2c1,-1.0348013639450073
Fc1ccc(-c2nc3c(o2)C[NH+](Cc2ccc(F)c(F)c2)CC3)cc1,-0.4950393736362457
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3859918117523193
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1C,-0.8654041886329651
c1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1,-1.2967151403427124
C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2355496883392334
CC1(F)CCN(C(=O)c2ccc(N3CCC4(CCC4)CC3)cc2)C1,-0.9944801330566406
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0334255695343018
O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1csc(-c2ccccc2)n1,-1.045410394668579
c1ccc(-c2ccc(Cc3nc(-c4ccccc4)no3)cc2)cc1,-1.2441195249557495
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2C)cc1,-1.1575983762741089
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1001923084259033
Oc1cccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)c1,-1.3037114143371582
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0279380083084106
O=C(Nc1ccccc1N1CCNCC1=O)c1ccccc1,-1.285956859588623
CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.383120059967041
Cc1ncoc1C(=O)NCCCOc1ccccc1Br,-1.4947595596313477
O=C(c1ccncc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0437208414077759
Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)o1,-1.0310550928115845
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccc([C@H]2CCOC2)cc1,-1.1341813802719116
C[C@H]1CCC[C@H](NC(=O)Nc2c3c(nn2C)CCCC3)C1,-0.7835046648979187
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.1297101974487305
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3123751878738403
NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.092913031578064
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1O,-1.1280380487442017
Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)s1,-1.044062852859497
O=C1Cc2cc(CNC(=O)c3ccccc3)ccc2N1,-1.4489580392837524
CC(C)(C)C(=O)N1CCN(c2c[nH]nc2-c2ccc(F)cc2)CC1,-0.6743035316467285
C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C3CCCC3)C2)C1,-1.3229737281799316
C[C@@H](O)CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1,-1.046517252922058
Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1466302871704102
O=C(Nc1nnc2n1CCCC2)[C@@H]1CCN(c2ccccc2)C1,-0.8688488006591797
Cc1ccc(NCC2CCC(c3ccc(F)cc3)CC2)cc1,-1.3288979530334473
O=C(c1ccc(O)cc1Cl)N1CCCCC1Cc1ccccc1,-1.0893361568450928
Cc1cc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1O,-1.1381362676620483
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2751544713974
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1076325178146362
CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1,-1.2464679479599
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2956386804580688
C[C@@H]1Cc2cc(NC(=O)COc3ccccc3)ccc2O1,-1.5350877046585083
Nc1ccc(C(=O)N2CCCC(Cc3ccccc3)C2)c(N)c1,-1.043362021446228
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.4151010513305664
CC(C)(CC(=O)NCc1ccc(Br)nc1)c1ccccc1,-1.350979208946228
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1390769481658936
O=C(Nc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1,-0.9617507457733154
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203911066055298
CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.3280441761016846
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1F,-1.0306475162506104
CC[NH+]1CCC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1,-1.3478171825408936
Cc1cc(N)ccc1NCc1coc(-c2ccc(F)cc2)n1,-1.0544207096099854
Fc1ccc(N2CCC(NCc3ccccc3)CC2)cc1Cl,-1.0397063493728638
CC(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1,-1.4684447050094604
CCCC[NH+]1CCN(C(=O)NCc2ccccc2)CC1,-1.6205419301986694
COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,-1.1329925060272217
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238681077957153
COc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1,-1.478636384010315
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0330909490585327
Cc1ccc([C@H]2CCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.1629277467727661
Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1C,-0.9645081758499146
Cc1nc2cc(CNC(=O)c3cccc(Cl)c3)ccc2[nH]1,-0.9783830642700195
O=C(c1ccc([O-])c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.4267868399620056
O=C(NC1CCCC1)C(=O)N1CCC(c2ccccc2)CC1,-1.3663970232009888
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9768751263618469
CC(C)(C)[C@@H]([NH3+])C(N)=O,-1.8913064002990723
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502855062484741
Cc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cl)c2)cc1,-1.1128252744674683
Cc1ccc(-c2ccccc2)c(NCc2ccc(F)cc2)c1,-1.2361950874328613
COc1ccc(CNC(=O)Cn2cccn2)cc1,-1.6716771125793457
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0706875324249268
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3N)CC2)cc1,-1.0949684381484985
Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2096227407455444
C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)CC[NH+]1CC1CC1,-0.7186985015869141
Fc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.1289204359054565
Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(Cl)cc2)n1,-1.0345827341079712
O=C(NCc1nc2ccccc2[nH]1)c1ccc(F)c(Br)c1,-0.7367402911186218
CC(=O)N1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1,-1.5444539785385132
CC(C)(C)NC(=O)c1cccc(N2CC[C@H](N)C2=O)c1,-1.1653791666030884
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.3028415441513062
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2261534929275513
Fc1ccc(C[C@@H]2COCC[NH+]2Cc2ccc(F)cc2)cc1,-1.4763822555541992
O=C(NCC1CCCCC1)Nc1ccc(Cl)nc1,-1.466476321220398
Cc1ccc(C[NH+]2CCC(CN3CC[NH+](C)CC3)CC2)cc1,-1.4485743045806885
CC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)C1,-1.1984496116638184
C[NH+]1CCC[C@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.54729425907135
O=C(Nc1ccc(-c2cccs2)cc1)c1ccc2nocc2c1,-1.1831116676330566
O=C(CC1CCCCC1)NC1CCN(c2ccccc2Cl)CC1,-1.1080816984176636
O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(C2CCCCC2)n1,-1.049540638923645
Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccccc3)CC2)s1,-0.8512184619903564
Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1503006219863892
Cc1ccc(C2CCCCC2)cc1NC(=O)c1ccc(F)cc1,-1.0122944116592407
O=C(O)C(=O)N(Cc1ccccc1)c1ccc(F)cc1,-1.5369627475738525
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl,-0.9830183982849121
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8728113174438477
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8152416348457336
CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5286818742752075
Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1,-1.4040510654449463
c1ccc(CN2CCC3(CC[NH+]3Cc3ccccc3)C2)cc1,-1.5656086206436157
O=C(Nc1ccc(F)cc1)C1(c2ccc(Br)cc2)CCC1,-1.1358234882354736
Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Br,-1.237858533859253
Cc1cccc(CNC(=O)Cc2nc3ccccc3[nH]2)c1,-1.2734874486923218
CN1CCCC(C(=O)N2CCN(Cc3ccccc3F)CC2)C1,-0.9948939681053162
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1F,-0.8986353874206543
O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@H]1C1CCCC1,-1.0469799041748047
CC1CN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCO1,-1.106491208076477
O=C(NCC[NH+]1CCCC1)Nc1ccc(Cl)cn1,-1.5750805139541626
O=C(c1ccc(F)cc1O)N1CCC[C@@H](Cc2ccccc2)C1,-1.1943128108978271
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3829333782196045
Cc1cc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F,-1.0531138181686401
Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)c(C)c1,-1.0290722846984863
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874244928359985
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1319444179534912
Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1,-1.2734966278076172
O=C(O)C(=O)c1ccc(OCc2ccc(F)cc2)cc1,-1.530680537223816
O=C(Nc1ccc(I)cc1)OCc1ccccc1,-1.5391449928283691
Cn1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)no2)n1,-0.9971412420272827
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0479363203048706
Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.2161918878555298
Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.1648377180099487
O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(F)cc1,-1.5484102964401245
O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.15129816532135
O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.8924657106399536
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6927915811538696
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1794474124908447
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5293922424316406
CC1CCN(C(=O)NC[C@@H](O)Cc2cccc(Br)c2)CC1,-1.2987059354782104
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.311263084411621
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC(O)C1,-1.3666019439697266
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]n1,-1.1064893007278442
O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(-c2ccc(F)cc2)c1,-1.0970349311828613
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1726393699645996
Nc1cccnc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9357211589813232
O=C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4386600255966187
Cc1c(NC(=O)c2ccccc2)ccc(Cl)c1N1CCOCC1,-0.9259777665138245
CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)C1,-1.190643310546875
Cc1ccc(N)cc1-c1ccccc1,-1.720432996749878
Cc1ccc(N2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)cc1,-0.711430549621582
O=C(NCc1ccc(F)cc1F)N1CCC2(CCCC2)C1,-1.123003602027893
CC1(C)CC[C@H](NC(=O)Nc2ccc(Br)c(O)c2)C1,-1.1776155233383179
Cc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2136937379837036
OC(=NC1CC1c1ccccc1)C1CNCCN1Cc1ccc(Cl)cc1,-0.8104843497276306
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212522268295288
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2387713193893433
O=C(Nc1ccccc1I)N1CCN(c2ccc(F)cc2)CC1,-0.8632205128669739
Cc1ccc(C(=O)Nc2ccccc2O)cc1,-1.687066912651062
O=C(Cc1ccccc1Cl)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.3139634132385254
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1,-0.9318994879722595
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1O,-1.1785944700241089
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.09613835811615
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.061233639717102
CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1116771697998047
Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccn2)CC1,-0.866904079914093
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9662829041481018
O=C(NCc1ccc(I)cc1)c1cc2ccc(F)cc2o1,-0.9768630862236023
Cc1ccc(N2CCN(C(=O)c3ccc4ccc(Br)cc4c3)CC2)cc1,-0.635826826095581
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364716053009033
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0928069353103638
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0269466638565063
Cc1ccc(C(=O)N2CCN(c3cc(C)c(F)c(C)c3)CC2)cc1,-0.7087110280990601
O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.9046302437782288
C[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1,-1.2048165798187256
NC(=O)Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4363574981689453
Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3815847635269165
O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907649040222168
CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2ccc[nH]2)C1,-1.480716347694397
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1381529569625854
Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)s1,-1.2050875425338745
C[NH+](C[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)CN1CCCC1,-1.4970333576202393
CC(C)(O)CC(=O)Nc1ccc(CN2CCCCC2)cc1,-1.5896048545837402
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.068813443183899
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1Cl,-1.1089924573898315
CCCCC(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1,-1.272200584411621
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5539751052856445
Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0305650234222412
Cc1cc(Cl)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.8952423930168152
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4662518799304962
O=C(N[C@H]1CCC2(CC2)C1)c1ccc(N2CCCC2)cc1,-1.4197537899017334
Cc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)cc1,-1.0030149221420288
Nc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.211150050163269
CC[NH+]1CCC(NC(=O)N[C@H]2CCC2(F)F)CC1,-1.4445172548294067
Cc1ccc(F)c(CNC(=O)c2ccc3c(c2)CCC3)c1,-1.0672415494918823
Cc1ccc(C(=O)NC2CC(c3cccc(F)c3)C2)nn1,-0.9389381408691406
Cc1ccccc1C(=O)N[C@@H]1C[C@@H](c2ccccc2)C[NH+](C)C1,-1.129690408706665
O=C(NCCCCc1ccccc1)N1CCOC2(CCCC2)C1,-1.5889626741409302
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1429402828216553
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0615800619125366
Cc1nn(C)c2cc(C(=O)NCC3CCCCC3)ccc12,-0.97967928647995
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(N)cc1,-1.3925504684448242
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9622192978858948
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.13829505443573
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1[O-],-1.0489685535430908
COc1ccc(C(=O)N[C@H]2CCOCC3(CCOCC3)C2)cc1,-1.5306986570358276
C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)N)cc2)CC1,-1.3903661966323853
C[C@@H]1CN(C(=O)NC(=O)c2ccc(Br)cc2)C[C@@H](C)O1,-1.230444073677063
O=C(NC[C@H]1CCC2(CCC2)C1)[C@H]1CCC(F)(F)C1,-1.3585550785064697
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.3977560997009277
O=C(Nc1cccc(Cl)c1F)N1CCOC[C@@H]1c1ccccc1,-0.9529649615287781
O=C(Nc1ccc(Cl)cc1)N1CC[NH+](CC(F)(F)F)CC1,-1.1068276166915894
C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(Cl)cc1Cl,-0.7609643936157227
Cc1ccccc1NC(=O)c1ccc(-c2ccc(N)cc2)cc1,-1.1039029359817505
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.079995036125183
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)n[nH]1,-0.9713478684425354
Cn1cc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)cn1,-1.4117865562438965
O=S1(=O)CC[C@H](NCc2ccc(-n3cccn3)cc2)C1,-1.536245584487915
Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1N,-1.328323245048523
O=C1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2)N1,-1.2924249172210693
O=C(NCc1ccccc1)Nc1cccc(I)c1,-1.5246877670288086
CCOc1ccc(CN2CC[NH+](C3CC3)CC2)cc1,-1.5923147201538086
Cc1ccccc1-c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1,-1.1285691261291504
COc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.546776533126831
Oc1ccc(CNc2cccc(-c3ccc(Br)cc3)n2)cc1,-1.0898141860961914
O=C(Nc1ccc2occc2c1)N1CC[C@H](c2ccccc2)C1,-1.2235987186431885
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8530019521713257
Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1849844455718994
O=C(NCCc1ccccc1)Nc1ccc(Br)s1,-1.5288856029510498
C[NH+]1CCC(C2CCC(C(=O)NCCc3ccccc3)CC2)C1,-1.3081046342849731
O=C(NC[C@H]1CCCSC1)Nc1ccc(Cl)nc1,-1.337666392326355
Nc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(F)c1,-1.1033682823181152
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.288260817527771
CC1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccccc1,-1.1252586841583252
O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2589305639266968
O=C(N[C@H]1CCCCC[C@H]1c1ccc(F)cc1)C1CCCCC1,-1.2115951776504517
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8880239725112915
Cc1cc(NC(=O)c2coc(-c3ccco3)n2)ccc1Br,-1.0589346885681152
Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9636138081550598
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9590091109275818
O=C(COc1ccccc1)NCc1ccc(Br)s1,-1.590305209159851
O=C(c1ccc(I)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9089081883430481
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F,-0.7388339638710022
O=C(Nc1cnc(-c2ccc(Br)cc2)nc1)c1ccccc1F,-0.7682718634605408
NC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1882388591766357
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.068655252456665
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8892936706542969
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0324866771697998
Cn1ccc(NC(=O)[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1,-1.0528401136398315
Cc1ccc(C(=O)N2CCc3nc(-c4cccc(Cl)c4)ccc3C2)cc1,-0.449335515499115
CCC1CCC(N(C)C(=O)Nc2cccnc2Cl)CC1,-1.0727006196975708
Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0180665254592896
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0696101188659668
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1259876489639282
O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.0135979652404785
O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](CC(F)(F)F)C1,-0.9631271362304688
[NH3+]c1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3670549392700195
O=C(Nc1cc(F)ccc1N1CCOCC1)c1ccccc1I,-0.8699101209640503
O=C(Nc1ccc(O)cc1F)N1CCC(c2ccccc2)CC1,-1.0797940492630005
Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3858085870742798
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.513725757598877
Clc1cc(CC2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.0739115476608276
Cc1cccc(OCC(=O)Nc2nc3ccccc3s2)c1,-1.2323440313339233
C[C@@H]1CCCCN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C1,-1.2568103075027466
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.33624267578125
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0750257968902588
C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4917521476745605
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0465980768203735
O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-1.1006431579589844
CCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1,-0.9488558769226074
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)o1,-1.023429036140442
Oc1cc(CNc2cccc(N3CCCCC3)c2)ccc1F,-1.2358357906341553
O=C(Cc1ccccc1)N1CC[NH+](Cc2ncccc2F)CC1,-1.2044334411621094
Fc1cc(CN2CC[NH+](CC3CCCCC3)CC2)ccc1Br,-1.132453203201294
O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CCCCC2)C1,-1.1830726861953735
O=C(N[C@H]1CCC[NH+](C2CCCC2)C1)c1ccc2[nH]cnc2c1,-0.9952993392944336
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.027173399925232
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172400832176208
Fc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.334285020828247
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.1725380420684814
CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1839953660964966
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1036266088485718
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cn1,-0.9819562435150146
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9590113162994385
COc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CCC[NH+](C)C1)C2,-1.1128692626953125
C[NH+]1CCC[C@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.444429874420166
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908133029937744
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852957963943481
O=C(NCc1ccc(F)cc1)N1CCC2(CCCO2)CC1,-1.585680603981018
Clc1ccc(OCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.149592638015747
O=C(c1cc(F)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,-0.5952383875846863
O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1,-1.581583023071289
Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7046611309051514
COC1(CNC(=O)c2ccc(I)cn2)CCCC1,-1.4857529401779175
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-0.999686598777771
CC(C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1,-1.5524314641952515
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.228013515472412
Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.393908143043518
Cc1nc(CNC(=O)N[C@H]2CCCC[C@@H]2C)cs1,-1.2583786249160767
O=C(Nc1ccccc1Cl)c1ccc(Cl)cc1,-1.3366912603378296
Fc1ccc(C[NH+]2CCC[C@@H](Nc3ccc(Cl)cc3)C2)cc1,-1.3019213676452637
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312236547470093
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0207029581069946
Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9793460965156555
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9748367071151733
CS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1,-1.1065399646759033
Cc1ccc(C(=O)N2CCCCN(Cc3ccccc3)CC2)s1,-1.3112640380859375
C[C@@H]1CN(C(=O)NC2CCOCC2)CC[C@@H]1c1cccc(Cl)c1,-1.070059061050415
CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CCNC(=O)C2)C1,-1.277451515197754
Cc1cc(I)ccc1CNC(=O)C[NH+]1CCCC(C)(C)C1,-1.1164675951004028
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908206939697266
O=C(Nc1cccc(F)c1)c1ccc(N2CCOC2=O)cc1,-1.2484227418899536
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595047831535339
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5412487983703613
C[C@@H]1CCCCN(C(=O)c2ccc(Nc3ccccc3)cc2)C1,-1.3701473474502563
CN1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.5094517469406128
O=C(NCc1ccc2cc[nH]c2c1)[C@H]1COc2ccccc2C1,-1.112611174583435
COc1ccc(N2CCN(C(=O)c3ccc(N)cn3)CC2)cc1,-1.020148754119873
O=C(N[C@H]1CN(c2ccccc2)CCC1=O)c1ccccc1,-1.380353569984436
Nc1cc(F)ccc1C(=O)Nc1ccccc1N1CCOCC1,-1.0139825344085693
O=C1CCCN1c1ccc(O)cc1,-1.7848154306411743
O=C(C1Cc2ccccc2C1)N1CCC[C@H]1Cc1ccccc1,-1.1638046503067017
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2201203107833862
CC[NH2+][C@@H](C)C(=O)NCCCc1ccc(Br)cc1,-1.556329369544983
Cc1ccc(CN2CC[NH+]([C@@H](C)c3noc(C)n3)CC2)cc1,-1.086333155632019
O=C(N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-1.0716716051101685
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536092519760132
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138302206993103
Cc1ccccc1CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.5189391374588013
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.06753408908844
CCCCC1CCN(C(=O)[C@@H]2CCCN(c3ccccc3F)C2)CC1,-0.9543396234512329
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3585940599441528
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(O)cc2)C1,-1.208366870880127
C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0242962837219238
CNc1ccc(C(=O)N2CCCN(C(=O)C(C)C)CC2)cc1,-1.0686566829681396
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.190757393836975
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2146852016448975
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9412330389022827
C[C@@H]1CN(C(=O)NCCCc2ccc(F)cc2)C[C@H](C)O1,-1.4776177406311035
Fc1ccc(-c2noc(COc3ccc(F)cc3F)n2)cc1,-0.9122774600982666
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(O)c1,-1.0939676761627197
COc1ccccc1NC(=O)c1ccc2c(c1)CCNC2=O,-1.0192402601242065
O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Cl)cc1,-0.7870907187461853
O=C(Cc1ccccc1)Nc1ccc(C2CCOC2=O)cc1,-1.5147830247879028
Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.05679452419281
C[C@@H]1CCN(C(=O)C[C@H]2CCCN2Cc2ccccc2)C1,-1.4937644004821777
O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-1.0170009136199951
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3678019046783447
COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.6262637376785278
O=C(NCc1ccc(F)c(Br)c1)[C@H]1CC[NH+]2CCC[C@@H]2C1,-0.8065845966339111
Cc1noc([C@@H]2CCC[C@@H]2NC(=O)c2ccc(F)cc2)n1,-1.0769376754760742
Nc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6914395093917847
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2375813722610474
CC(C)C(=O)Nc1ccc(-c2nc3c(s2)C(=O)CCCC3)cc1,-0.5945478677749634
N#Cc1ccc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)cc1,-1.161191701889038
Cc1ncc(C(=O)Nc2cnn(-c3ccc(Br)cc3)c2)s1,-0.8191466927528381
C[C@H]1CN(C(=O)c2ccc(N)c(O)c2)CCN1c1ccc(Cl)cc1,-0.5927679538726807
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2954936027526855
O=C(NCc1ccccc1)N1CCC=C(C2CCOCC2)C1,-1.5342596769332886
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)nc1,-1.4834822416305542
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395498275756836
O=C(Nc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1,-1.1796321868896484
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584557116031647
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1307368278503418
CC(C(=O)Nc1ccc(N2CCNCC2)cc1)[NH+]1CCOCC1,-1.3262438774108887
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8519648909568787
Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1131147146224976
O=C(NCC(=O)N1CCCCC1)c1ccc(Br)c(Cl)c1,-0.8963761925697327
O=C(NCc1ccccc1)Nc1ccc(F)cn1,-1.677545428276062
COc1ccc(CC(=O)Nc2cc(F)c(Br)cc2F)cc1,-0.8333313465118408
CN1CC[C@H](NC(=O)c2ncccc2-c2ccccc2)C1=O,-1.1679586172103882
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.3045692443847656
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.4580869674682617
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.896081805229187
Cc1nc(NC(=O)c2ccc(-c3ccco3)cc2)sc1C,-0.9700230360031128
CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5634138584136963
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.204661250114441
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.860837459564209
O=C(c1ccc2[nH]ncc2c1)N1CCC[C@@H]1Cc1ccccc1,-1.0969468355178833
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.105038046836853
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Cl,-0.9008898138999939
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5310999155044556
Fc1ccc(CNc2ccccc2N2CCOCC2)cc1F,-1.1400833129882812
O=C(C1CCCCC1)N1CCN(Cc2ccc(Cl)cc2Br)CC1,-0.7338874340057373
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0632065534591675
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)nc1,-0.8726127743721008
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.4695993661880493
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0853724479675293
O=C(N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-1.2278248071670532
Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0290385484695435
CCn1c(C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.7161787152290344
O=C(NCc1nc2ccccc2[nH]1)N1CCC2(CCC2)C1,-1.2068026065826416
O=C(O)C1CCN(C(=O)C2CCCN2c2ccccc2)CC1,-1.2031723260879517
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.2504171133041382
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9492745995521545
Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c1,-1.1166857481002808
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795508861541748
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2O)CC1,-1.2325491905212402
Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.038561463356018
O=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)nc1,-1.484108567237854
O=C(CN1CCCC1=O)N[C@H]1CCC[C@@H](c2ccccc2)C1,-1.4170231819152832
Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0366872549057007
CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Br)cc1,-0.7215275764465332
Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2c2ccccc2)c(F)c1,-0.9673621654510498
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399795770645142
O=C(Nc1cc(F)ccc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8292878270149231
C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.331486463546753
O=C(CCCc1cccs1)N1CCN(Cc2ccccc2)CC1,-1.4887464046478271
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1,-0.9404073357582092
Nc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(N)c1,-1.112652063369751
Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-0.9652698040008545
Cc1ccc(CNC2CC(=O)N(c3ccccc3)C2)cc1,-1.4628851413726807
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.3099380731582642
CC(C)Cc1ccccc1CC(=O)N[C@@H]1CCCC[NH+]1C,-1.365295171737671
Cc1ccc(N[C@H]2CCCN(C(=O)c3ccccc3F)C2)nc1,-0.9320904612541199
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2223811149597168
[NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)cc2)C1,-1.0150150060653687
O=C(Nc1ccc(N2CCOCC2)cc1F)c1ccc(Br)nc1,-0.845870852470398
O=C(NCc1ccccc1)Nc1ccc(Br)nn1,-1.5055173635482788
c1ccc(-c2noc(-c3ccc(CC4CCOCC4)cc3)n2)cc1,-1.2493001222610474
NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1,-1.2949719429016113
Cc1cc(F)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.1556878089904785
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.184367299079895
O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-0.9911362528800964
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617109298706055
Cc1cccc(C(=O)N2CCC(CC[NH+]3CCCCC3)CC2)c1,-1.3288449048995972
CCOC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.4877629280090332
Cc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1,-1.3744897842407227
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.4724363088607788
NC(=O)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-1.3748408555984497
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(F)nc1,-1.0442231893539429
COc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)C2)cc1,-0.9955803751945496
O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-1.0654339790344238
Cc1cc(F)ccc1NC(=O)c1cccc(N2CCOCC2)c1,-1.0982834100723267
Nc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1,-1.33273184299469
CC[C@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1,-1.0556188821792603
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571033716201782
Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0547865629196167
CC(C)C(=O)N1CC[C@@](F)(C(=O)OC(C)(C)C)C1,-1.482053279876709
c1ccc(CN2CCNCC2)cc1,-1.8696510791778564
Cc1cccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1,-1.3873956203460693
Cc1nc(C)n(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1,-0.6565257906913757
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7367455959320068
Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1,-1.0760163068771362
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1,-1.0207968950271606
CC[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C)CC1,-1.224043369293213
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3845648765563965
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8912808895111084
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.070012092590332
O=C(N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9485230445861816
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2439590692520142
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-1.0726633071899414
CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2274854183197021
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1,-1.1416332721710205
N#Cc1cccc(C(=O)Nc2ccc(-c3cccs3)cc2)c1,-1.240036129951477
Cc1ccc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c1,-0.9273262023925781
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.9190586805343628
C[C@@H]1C[NH+](Cc2ccccc2C(=O)N2CCOCC2)[C@H](C)CO1,-1.2642818689346313
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.369837999343872
Cc1ccc(Cn2cc(C)cn2)cc1,-1.7555358409881592
[NH3+][C@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(Br)cc3)cc2)CC1,-0.8910743594169617
O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CCCCC2)CC1,-0.8073021769523621
c1ccc(CCNc2[nH+]c3ccc(-c4ccccc4)cc3o2)cc1,-1.351773738861084
C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0670219659805298
CC(C)[C@H](C(=O)NCc1ccc(F)cc1)N1CCOCC1,-1.3505518436431885
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.067391037940979
C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-0.9630066156387329
O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1F,-0.8710206151008606
Clc1cc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1,-0.928537130355835
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2900846004486084
CC(=O)Nc1cccc(NCc2ccccc2)c1,-1.6875345706939697
O=C(NC1CC[NH+](C2CCC[NH2+]CC2)CC1)c1ccc(F)cc1,-1.1001427173614502
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984014511108398
Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0911825895309448
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701834321022034
COc1cccc(C(=O)NCc2ccn(C)n2)c1,-1.5997923612594604
Cc1ccccc1C(=O)N1CCN(Cc2cccc(O)c2)CC1,-1.2052689790725708
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9776277542114258
CC(c1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1,-1.1211687326431274
Nc1ccc(NC(=O)c2csc(C3CCCC3)n2)cc1Br,-0.7471132278442383
N#Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1,-1.4962421655654907
CC1(C)CCCN(C(=O)C(=O)NCc2ccccc2)C1,-1.5576071739196777
O=C1CCN(c2ccc(NC(=O)C3CCOCC3)cc2)CC1,-1.4415645599365234
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6934094429016113
Nc1ccc(F)c(CNCCc2ccc3ccccc3c2)c1,-1.0898832082748413
Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)o1,-0.9209533333778381
Cc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3O)CCO2)cc1,-1.235877275466919
C[C@@H]1CCCN(C(=O)C(=O)OCc2ccc(F)cc2)C1,-1.3777273893356323
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5040799379348755
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701792001724243
O=C(c1ccc2c(c1)c1cccnc1n2-c1ccccc1)N1CCCC1,-0.7039393782615662
Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0743039846420288
O=C(CCc1ccccc1)N1CCN(c2cccc3nc(O)oc23)CC1,-0.9969887733459473
O=C(c1ccccc1O)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-1.0801970958709717
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0269416570663452
C[C@@H]1CCC[C@H](NC(=O)NCc2ccccn2)C1,-1.6245440244674683
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3739967346191406
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.2188243865966797
CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.6680418252944946
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502562999725342
Cc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2n1,-0.49790748953819275
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9531363248825073
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846744775772095
CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccccc1,-1.3706098794937134
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3751435279846191
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.3427145779132843
O=C(NCc1ccc2nc(O)sc2c1)c1ccc(Br)cc1,-0.887324333190918
Cc1ccc([C@@H]2C[C@H](NC(=O)c3ccccc3Br)CCO2)cc1,-1.0488253831863403
O=C(NC1CC(F)(F)C1)N1CCO[C@H](c2ccccc2)C1,-1.371968150138855
C[C@@H](C(=O)NCC[NH+]1CCC2(CCC2)C1)c1ccccc1,-1.5564053058624268
O=C(N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1)C1CCOc2ccccc21,-0.9086363911628723
Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1565593481063843
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)nc1Cl,-0.6901881694793701
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.2369264364242554
CC1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2032713890075684
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307278633117676
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0219393968582153
Nc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.2480484247207642
CC(C)CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1,-1.173810362815857
Cc1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1Cl,-0.9223681688308716
COC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1,-1.5875048637390137
CC1(C)COc2cccc(C(=O)NCC3CCOCC3)c21,-1.2858450412750244
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.299271583557129
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.979162871837616
C[NH+]1CCC[C@@H](CNC(=O)N2CCOC23CCCCC3)C1,-1.5450725555419922
O=C1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1,-1.500571846961975
Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccccc2)c1C,-0.7844353318214417
O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2)CC1,-0.9981880784034729
Cc1ccc(CC2CCN(C(=O)c3cnc(C)s3)CC2)s1,-0.8415096402168274
CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.0010489225387573
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0243908166885376
COCCCNC(=O)N1CCC[C@H](c2ccccc2)C1,-1.5961272716522217
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5062167644500732
Cc1ccc(C(=O)N[C@H](C)Cc2cccc(Br)c2)c(C)n1,-0.8240687847137451
Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1,-1.0894718170166016
Cc1ccc(N2CCN(C(=O)Nc3ccccc3[AsH2])CC2)cc1,-1.0133382081985474
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.200413703918457
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1450951099395752
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2507704496383667
O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@H](c2ccc(Cl)cc2)C1,-0.9767501354217529
CC(C)(C)c1nnc(NC(=O)Cc2ccc(F)cc2F)s1,-0.7048510909080505
Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2o1,-1.08759343624115
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.186282753944397
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2o1,-1.180933952331543
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3F)C2)cc1,-1.1363011598587036
CC(C)[C@@H]1CCC[NH+](CC(=O)Nc2ccc(Br)cc2F)C1,-0.8217270970344543
Cc1ccc(CN2CCN(C(=O)C3=CCCC(=O)CC3)CC2)cc1,-1.3059881925582886
CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1,-1.6792058944702148
Cc1cccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)c1,-1.1156028509140015
Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Br,-1.0907628536224365
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)[nH]1,-1.120954155921936
Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(Cl)c1,-0.9712243676185608
O=C(NCc1ccc(F)c(Br)c1)c1cc2ccccc2o1,-1.0851664543151855
CC(C)(O)CN1CCC[C@H](NC(=O)c2ccc(O)cc2)C1,-1.5340142250061035
CC(C)NC(=O)N[C@H]1CCCC[C@H]1n1cccn1,-1.489819884300232
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8866447806358337
Nc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0558009147644043
O=C(c1cc(F)ccc1I)N1CCC(Cc2ccccc2)CC1,-0.9702334403991699
CC(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2)CC1,-1.4976798295974731
Oc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.261826753616333
C[NH+]1CCC(NC(=O)N2CCN(c3cccc(F)c3)CC2)CC1,-1.025862216949463
Cn1ccc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.1928374767303467
CC(=O)N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1,-1.1517664194107056
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948719143867493
Cc1ccc(CN2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.393340826034546
C[C@H]1CC[C@H](NC(=O)c2cn[nH]c2-c2cccc(F)c2)C1,-0.9928843975067139
Fc1ccc(C[NH+]2CCC[C@@H](Cc3cccc(Br)c3)C2)cc1,-1.2384408712387085
Cc1cccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.041234016418457
Cc1nonc1C[C@@H]1CCCN(C(=O)CC2CCCC2)C1,-1.1591706275939941
CC1(C)CN(Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.530116319656372
O=C(Cc1ccc(Cl)cc1F)NCCc1ccc(Br)cc1,-1.0774275064468384
O=C(NC1CCN(c2cccc(F)c2F)CC1)c1ccccc1,-1.0434176921844482
Cc1cc(Br)ccc1NC(=O)c1ccccc1N1CCOCC1,-0.9592933058738708
CCC[C@H](O)C(=O)N[C@H]1CC[NH+](Cc2ccc(Br)cc2)C1,-1.391531229019165
CC(C)(C)c1ccc(CNC(=O)C2(O)CCOCC2)cc1,-1.554952621459961
O=C(c1ccn(C2CCCC2)n1)N1CCC(c2nccs2)CC1,-0.8399547338485718
Cc1cc(N)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.139587640762329
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9852164387702942
Fc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)c(F)c1,-0.7689688205718994
Cc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1F,-1.1151756048202515
Cc1cccc(NC(=O)N2CCN(c3ccccc3C)CC2)c1,-1.1406997442245483
CC[NH+]1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CC1,-1.1416819095611572
O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1,-1.2251238822937012
C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.0225884914398193
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1,-1.4463386535644531
Cc1cc(NC(=O)[C@@H]2CCOC2)n(-c2ccc(Cl)cc2)n1,-1.0374267101287842
CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.1441502571105957
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987514019012451
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0810458660125732
Nc1ccc(F)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0621135234832764
Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc(Cl)cc1,-0.6919625997543335
Cc1ccc(F)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.1087712049484253
Cc1cccc([C@H]2C[C@H](NC(=O)c3ccc(F)cc3)C2)c1,-1.1769086122512817
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1583013534545898
O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)cn1,-1.0071547031402588
C[C@H]1CN(C(=O)c2ccccc2Cl)CC[NH+]1Cc1ccccc1,-1.0193661451339722
COc1cc(O)ccc1C(=O)Nc1cc(C)c(Br)cc1C,-0.7979727983474731
COC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.4991466999053955
O=C(N[C@@H]1CC=CCC1)C1CCN(c2ccc(F)cc2)CC1,-1.2373318672180176
C=C(Br)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.2044328451156616
CCN1CCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-0.9799582362174988
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1586346626281738
O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CC[C@@H](F)C1,-0.6729028224945068
CCCCCCCCCCCC(=O)Oc1ccc(OC(C)=O)cc1,-1.561214804649353
Nc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.030173659324646
O=CNC[C@@H]1CCC2(CCC2)O1,-1.9324790239334106
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2[nH]ccc2c1,-1.21237051486969
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.4228851795196533
COc1ccc([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1,-1.1397970914840698
C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1F,-0.5742472410202026
c1ccc(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)s2)cc1,-1.2586182355880737
CC(C)[C@H](O)CCNC(=O)N1CCCC[C@@H]1c1ccccc1Cl,-1.0178626775741577
Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n[nH]1,-0.8564729690551758
COc1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1,-1.599246621131897
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1ccc2ncsc2c1,-0.864313542842865
CCC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(=O)c1ccccc1,-1.4318931102752686
C[C@@H]1CC[NH+](CCNC(=O)c2ccc(Cl)cc2Br)C[C@@H]1C,-0.7856882214546204
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.005968689918518
O=C(NC1CCCC1)C(=O)N1CCC(c2ccccc2)CC1,-1.3823614120483398
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5145560503005981
O=C(C1CCCCC1)N1CC[S+]([O-])CC1Cc1ccccc1,-1.2900327444076538
OC(=NCc1ccc(OCc2ccccc2)cc1)C1CCCN1,-1.5596879720687866
Cc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1,-1.1519075632095337
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9653149247169495
O=C(N[C@@H]1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1O,-1.0454463958740234
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.9045526385307312
O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8934205174446106
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0852718353271484
O=C1CCCN1c1ccc(F)cc1,-1.7415688037872314
CCc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1457407474517822
CN(C(=O)C1CCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O,-0.8601279854774475
O=CN1CCN(c2ccc3cc(F)ccc3c2)CC1,-1.2198894023895264
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0999470949172974
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-1.0913922786712646
O=C(C[NH+]1CC[C@@H](c2ccccc2)C1)Nc1ccc(F)cc1Cl,-1.090502142906189
CCc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1,-1.6200635433197021
O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.482560157775879
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.964889645576477
O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCc2[nH]ncc2C1,-0.6938258409500122
CC(C)(C)CNC(=O)C(C)(C)Oc1ccc(Br)cc1,-1.5028501749038696
O=C(C[NH+]1CCC[C@H]1c1ccc(Br)cc1)NC1CCCC1,-1.2346440553665161
CCOc1ccc(OC(=O)CN=C(O)C2CCCCC2)cc1,-1.5339337587356567
CC(C)CC(=O)N[C@H]1CCC[NH+](C[C@H]2CCC[NH+](C)C2)C1,-1.423863410949707
O=C(c1ccc(F)cc1Cl)N1CCC[C@H](Cc2ccccc2)C1,-1.0411262512207031
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3O)cc2)CC1,-1.1635313034057617
CCOc1cccc(C[NH+]2CC[C@@H](O)C3(CCCCC3)C2)c1,-1.524817705154419
O=C(NCC1CCCCC1)Nc1ccc(Br)cc1,-1.5801525115966797
O=C(C1CCCCC1)N1CCC([C@H](O)C[NH+]2CCOCC2)CC1,-1.4265272617340088
C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1,-1.293290376663208
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)no1,-0.8750196099281311
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053719639778137
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9291800856590271
CCOc1cccc(NC(=O)c2ccc(I)s2)c1,-1.432201623916626
Nc1ccc(C2CC(NC(=O)c3ccc(F)cc3)C2)cc1,-1.1251349449157715
O=C(NC(C(=O)O)c1ccc(F)cc1)c1ccccc1,-1.4894728660583496
O=C(c1ccc(F)cc1)N1CCC(c2cnc3cc(F)ccc3n2)CC1,-0.3198179006576538
Brc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0582741498947144
Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(C)c1,-1.1121461391448975
c1ccc(-c2nc[nH]n2)cc1,-1.8900154829025269
Cc1nc2cc(CNC(=O)c3cccc(F)c3)ccc2[nH]1,-0.9519863128662109
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9909371137619019
C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CC12CCC2,-1.435049057006836
Fc1ccc(-c2nc(COc3ccc(I)cc3)no2)c(Br)c1,-0.6830633878707886
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903995752334595
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2821500301361084
COc1ccc(OCC(=O)N2CC[C@@H](C3CCOCC3)C2)cc1,-1.4800339937210083
Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)c1,-1.424599289894104
O=C1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4083665609359741
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.5319793224334717
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692858695983887
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(I)cc2)CC1,-1.3455091714859009
CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1,-1.4865131378173828
O=C(c1ccccc1)N1CCC[C@@H](Cc2ccc(F)cc2F)C1,-1.0016390085220337
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.462772011756897
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0367683172225952
CCc1ccc(CNC(=O)c2csc(Br)n2)cc1,-1.3135240077972412
CC(C)Cn1cc(NC(=O)CC2CC(C)(C)C2)cn1,-1.493505835533142
Cc1ccc(CNC(=O)c2cc3ccccc3s2)cc1Br,-0.8620790243148804
O=C(C[S+]([O-])Cc1ccccc1)N1CCN(c2ccc(O)cc2)CC1,-1.2423429489135742
O=C(NCCCc1ccc(F)cc1)c1ccc(F)c(Br)c1,-0.9876676201820374
CC1CCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.118632435798645
O=C(c1cnccc1-c1ccccc1)N1CC[C@H](O)C2(CCCCC2)C1,-0.9809146523475647
COc1ccc(CNCc2ccc(Cl)cc2C)cc1,-1.4070689678192139
CCC(C)(C)C(=O)NCc1ccc(N2CC[NH2+]CC2)cc1,-1.451499104499817
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2209901809692383
CC1(C)CCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1,-1.1305335760116577
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0751243829727173
CC(C)CCC(C)(C)c1ccc(CNC2CCCCC2)cc1,-1.4352821111679077
Cc1cc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2[nH]1,-1.1307564973831177
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2441980838775635
Cc1ccc(OC(=O)COc2ccc(C#N)cc2)cc1,-1.6449120044708252
O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccn(-c2ccccc2)n1,-1.075138807296753
Cc1ccc2nc(CNC(=O)c3ccc(C)nc3)oc2c1,-1.0450581312179565
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.976491391658783
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)C1CCCCCC1,-1.248746633529663
CCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1,-1.1731764078140259
Nc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.9874709248542786
COCC[NH+]1CCC(NC(=O)c2ccccc2Br)CC1,-1.4881608486175537
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0874582529067993
O=C(CSCC1CCCCC1)Nc1ccccc1,-1.678888201713562
C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4409916400909424
O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0943260192871094
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.2207143306732178
Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)on1,-1.3026678562164307
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3037476539611816
Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C,-1.5179897546768188
CCC[NH+]1CC(NC(=O)Nc2cccc(C)n2)C1,-1.6330680847167969
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.132137417793274
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4255307912826538
O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1F,-1.0951015949249268
Nc1ccccc1C(=O)N[C@H]1CCC(=O)N1c1ccccc1,-1.1541774272918701
O=C(NC1CC2(CCC2)C1)c1cn[nH]c1-c1ccccc1,-1.3402369022369385
O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)OCO2,-1.3262337446212769
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.8480603694915771
COC(=O)N1CCC2(CCN(Cc3ccc(F)cc3)C2)C1,-1.4851415157318115
C[C@@H](CC(=O)NCc1nc2ccccc2o1)c1ccccc1Cl,-0.9780187010765076
CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5210864543914795
O=C(Nc1ccccc1)c1ccc(F)cc1Cl,-1.4355580806732178
O=C(Cc1nc2ccccc2o1)NCc1ccc(Cl)cc1,-1.251042366027832
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1249196529388428
O=C(C1CCCc2ccccc21)N1CCN(Cc2ccc(Br)cc2)CC1,-0.6770936846733093
C[NH+]1CCC(C(=O)NC2CCN(c3ccccc3Br)CC2)CC1,-1.0021454095840454
O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.5017595291137695
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1Cl,-0.9080865383148193
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1086373329162598
CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6197603940963745
CC(C(=O)Nc1ccc(F)cc1)S(=O)(=O)Cc1ccccc1,-1.4748682975769043
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3F)CC2)s1,-1.0439059734344482
CC(C)(O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1,-1.48410165309906
O=[N+]([O-])c1onc(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1,-0.7914848327636719
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.19065523147583
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1555957794189453
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084514260292053
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2242296934127808
O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1F,-0.9290276169776917
c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.2728523015975952
CCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2F)CC1,-0.9913445711135864
O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(Br)cc1,-1.275585412979126
O=C(Nc1nc2ccccc2o1)c1csc(-c2ccccc2)n1,-0.9851831197738647
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.176161766052246
O=C(COCc1ccccc1)NC1CCCCC1,-1.7284631729125977
O=C(C1CCN(c2ccc(Cl)cc2)CC1)N1CCCC2(CCOCC2)C1,-0.9209164977073669
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-1.0071852207183838
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3756110668182373
COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-1.0404975414276123
Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.164359211921692
Cc1ccc(C(=O)N2CC[C@@](O)(Cc3ccccc3)C2)o1,-1.5568445920944214
CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2542855739593506
O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4958363771438599
O=C(NC[C@@H]1CC12CCOCC2)c1ccc2c(c1)CCC2,-1.347724437713623
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272144198417664
Cn1cc(NC(=O)c2ccc(Br)cc2)c(-c2cccs2)n1,-0.8952687978744507
Cc1cccnc1NC(=O)N1CCC([NH+]2CCC(C)CC2)CC1,-0.9228295683860779
C[C@@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)CCO2,-1.3328936100006104
CN1CCN(c2ccc(CNc3ccc(N)cc3)cc2)CC1,-1.2961841821670532
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.217559814453125
CCOc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.282970666885376
O=C(N[C@H]1CCO[C@@H]1c1ccc(Br)cc1)[C@H]1C[C@H]1C1CC1,-1.0136756896972656
CC(O)(CNC(=O)Nc1ccc(Br)cc1)C(F)(F)F,-1.3792513608932495
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.2401492595672607
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.531275749206543
C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C2CCOCC2)C1,-1.4844942092895508
CC(C)[C@H](C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.3090740442276
Cn1cc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0423266887664795
O=C1CN(c2ccc(Br)cc2)C[C@H]1[NH2+]Cc1ccccc1,-1.2812747955322266
c1ccc(C[NH+]2CCCN(Cc3cc4ccccc4o3)CC2)cc1,-1.454827070236206
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.9368541836738586
C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](CC(F)(F)F)CC2)C1,-1.0199285745620728
CCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1,-1.444712519645691
O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1,-1.532159686088562
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.020660638809204
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(O)cc2)C1,-1.5030497312545776
Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1C,-1.316820740699768
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1CC1CCC(O)CC1,-1.4689288139343262
N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6500838994979858
Fc1ccc(NCC2CCN(c3cccc(F)c3)CC2)cc1,-1.1520456075668335
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2156331539154053
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(O)n1,-1.084495186805725
O=C(Nc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1,-1.2021424770355225
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0328868627548218
CC[C@H](C(=O)NCc1cccc(F)c1)[NH+]1CCN(C)CC1,-1.2590506076812744
CC(C)c1nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cs1,-0.805350124835968
O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5087515115737915
Cc1nc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cs1,-0.8260359764099121
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl,-0.7972147464752197
Cc1ccc(C(=O)C(=O)NCc2ccc(F)cc2)cc1,-1.5578303337097168
COc1ccc(NC(=O)N2CCOCC3(CCSCC3)C2)cc1,-1.4618873596191406
Cc1ccc(O)c(C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c1,-1.0144710540771484
CC(O)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.339105486869812
Fc1ccc(Br)cc1C[NH+]1CCN(Cc2ccccc2)CC1,-1.1364198923110962
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9313473105430603
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3Cl)C2)cc1,-0.9698498249053955
Cc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.5569154024124146
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3N)c2)CC1,-1.10191810131073
CC1CC(C)CN(C(=O)Nc2ccc(C(=O)O)cc2)C1,-1.2019197940826416
NCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6051688194274902
CN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999452114105225
Cc1ccc(-c2cc(C)ccc2NCC2CCCCC2)cc1,-1.361595869064331
C[C@@H](CCc1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1,-1.1023224592208862
CC(C)C(C)(C)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.1313440799713135
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2411139011383057
Cc1ccc(C(=O)NC2CCN(c3cccc(Cl)c3)C2)s1,-0.9764330387115479
C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0435600280761719
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.085353136062622
Cc1cc(O)ccc1C(=O)Nc1ccccc1N1CCOCC1,-1.1572657823562622
O=C(c1cc(F)ccc1F)N1CCC(Cc2ccccc2)CC1,-0.9874054789543152
O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(O)cc2)CC1,-1.272591471672058
C[NH+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1,-1.3455438613891602
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0285147428512573
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2256220579147339
O=C(Nc1ccc(O)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.9929424524307251
CC(C)C(C)(O)c1ccc(NC(=O)c2ccccc2)cc1,-1.5243971347808838
Fc1ccc(CNc2ccc(-c3ccccc3)nc2)cc1I,-0.9587481617927551
CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCF,-1.3493551015853882
Cc1cc(F)ccc1Nc1ccc(C(=O)N2CCOCC2)cc1,-1.2461434602737427
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.055574655532837
O=C(c1cc(Cl)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1,-0.9770583510398865
C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3543801307678223
CC(C)(C)C(=O)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1,-0.6909785866737366
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.861735463142395
C[C@H]1C[C@H](NC(=O)Cc2ccccc2)CC[C@@H]1C(=O)[O-],-1.3948720693588257
O=C(Cc1ccccc1)NCCC[NH+]1CCc2ccccc2C1,-1.543113350868225
[NH3+][C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2076822519302368
c1ccc([C@H]2CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1,-1.4274660348892212
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)n[nH]1,-0.9816930890083313
CC(C)(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-1.374273419380188
C[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.318804383277893
Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.130530595779419
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1,-1.193220615386963
Cn1cnc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)c1,-1.0457552671432495
CS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1,-1.1065146923065186
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1O,-1.0619224309921265
C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[NH+](C)C1,-1.1803818941116333
Cc1nc(C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)s1,-0.5490849018096924
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0960613489151
NS(=O)(=O)c1cccc(N2CCN(C(=O)c3ccccc3)CC2)c1,-1.1499916315078735
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.289955496788025
Cn1cc([C@H]2CCC[C@H]2NC(=O)Cc2ccccc2)cn1,-1.387137532234192
CC(=O)c1ccccc1C(=O)Nc1ccc(C)c(Cl)c1,-1.0427180528640747
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584706127643585
O=C(Nc1ccccc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1,-1.1541696786880493
c1ccc(-c2nn[n-]n2)c(CN2CCC(c3ccncc3)CC2)c1,-1.0222084522247314
C[C@@H]1CCN(c2ccccc2)C1=O,-1.8177094459533691
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2724905014038086
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCCC3)C2)c(F)c1,-0.9497328400611877
Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8747525811195374
C[C@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4918266534805298
Fc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1F,-1.1275447607040405
O=C(C(O)=Nc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.2720917463302612
Cc1ccc(Br)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.995509147644043
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(O)cc1,-1.2478686571121216
O=C(CNC(=O)c1ccc(I)cc1)c1ccc(F)cc1,-1.1664496660232544
C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.00114905834198
Oc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1O,-1.3978129625320435
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2234140634536743
N=C(O)CC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.5384801626205444
O=C(CCCc1cccc(F)c1)NCc1ccc(Br)cc1,-1.478917121887207
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5013465881347656
Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-1.1023352146148682
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9778085350990295
Cc1cccnc1C(=O)N1CCCC[C@H]1Nc1ccc(F)cc1,-1.0057220458984375
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0534456968307495
Clc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.1627027988433838
Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9405831098556519
Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)oc2c1,-1.1125335693359375
O=C(NC1CC(F)(F)C1)N1CCC[C@@H]([C@@H]2CCCCO2)C1,-1.2800428867340088
CC(C)(C)C(=O)NCc1ccc(N2CCNC2=O)cc1,-1.451879620552063
COc1ccccc1CNC(=O)[C@@H]1CC12CCC2,-1.6059156656265259
Cc1ccccc1C(=O)NC1CCN(c2ccc([O-])cc2)CC1,-1.1009060144424438
CC(C)CCC(C)NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0158023834228516
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)[nH]n1,-1.1238936185836792
Oc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.4041820764541626
Cc1cc(F)ccc1NC(=O)c1ccc(-c2nncn2C)cc1,-0.7624185085296631
Cc1ccccc1OC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.2485780715942383
O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2498191595077515
Cn1nc2c(c1C(=O)NCc1ccc(F)cc1)CCCC2,-0.7931608557701111
O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0039323568344116
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.8955777883529663
Cc1ccc(Br)c(NC(=O)N2CCC[C@H](c3ccccc3)C2)c1,-0.9441644549369812
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.135547399520874
C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3cccc(F)c3)C2)C1,-1.0491766929626465
Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1C1CCOCC1,-0.9970102310180664
Cc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.5288461446762085
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2o1,-1.3240511417388916
Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-0.9975519180297852
O=C(N[C@H]1CC[C@@H](F)C1)N1CC[C@@H](c2ccc(F)cc2)C1,-1.1123138666152954
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9898372888565063
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0628052949905396
C[NH+]1CCN(c2cccc(CNc3cccc(F)c3)c2)CC1,-1.2852813005447388
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0319809913635254
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653917551040649
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1,-1.0325738191604614
Cc1ccc(CNC(=O)N2CCc3nc(C)sc3C2)cc1,-0.800327479839325
C[C@@H]1C[C@H](C)CN(C(=O)CNC(=O)C2CCCCC2)C1,-1.2792614698410034
O=C(COc1ccc(Br)cc1)N[C@@H]1CC12CCCC2,-1.5126210451126099
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3458771705627441
Cc1ccccc1N[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1,-1.029961109161377
COC(=O)[C@H]1CCCN(C(=O)NC2CCCCC2)C1,-1.5713365077972412
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.4295262098312378
C[C@H]1CN(C(=O)N2CCC[C@@H](C[NH3+])C2)CC[C@@H]1c1ccccc1,-1.0169646739959717
C[C@H]1C[C@@H](NC(=O)c2ccccc2O)CCN1c1ccccc1,-1.2356842756271362
Cc1ccc(CN2CCN(Cc3ccccc3)C(C)C2)cc1,-1.456201195716858
O=C(Nc1ccc(Cl)nc1)c1ccc(-c2ccccc2F)cc1,-0.9861007332801819
C[NH+]1CC[C@@H](NC(=O)c2ncoc2-c2ccc(F)cc2)C1,-1.2013459205627441
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.2393780946731567
O=C(NCc1ccccc1)Nc1ccc(Br)nc1,-1.5432811975479126
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1,-1.1456581354141235
Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)no1,-1.2140873670578003
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0441663265228271
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)nc1,-0.8544866442680359
CC(NC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1,-1.0463948249816895
Cn1nccc1C(=O)NC[C@H](O)Cc1ccc(F)c(Cl)c1,-0.9301000833511353
CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,-1.2958393096923828
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9706920981407166
C[C@@H](CC(=O)NCc1cccc(F)c1)c1ccc(Cl)cc1,-1.2076305150985718
CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)C[C@@H]1C,-0.9256475567817688
NCCCc1ccccc1C(=O)NCc1ccccc1,-1.6416420936584473
Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-1.018157720565796
O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9675298929214478
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCN1,-1.5020356178283691
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5136003494262695
O=C(O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1,-1.0460587739944458
C[NH+]1CCC[C@@H](CNC(=O)NC2CCOCC2)C1,-1.6636054515838623
Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cccs1,-0.7373239398002625
Cc1ccc(C(=O)N[C@@H]2CCN(c3nnc(C)s3)C2)cc1,-0.9791132807731628
Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccccc2)CC1,-1.319957971572876
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(I)cc1F,-1.0586336851119995
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-1.1071803569793701
O=C1CC[C@]2(CCCN(C(=O)N3CCO[C@H](c4ccccc4)C3)C2)C1,-1.2309240102767944
O=C(c1ccc(F)cc1O)N1CCCC[C@@H]1Cc1ccccc1,-1.1613006591796875
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0816608667373657
Cc1ccc(O)cc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.2397102117538452
NCCCOc1ccc(C(=O)Nc2ccccc2)cc1,-1.624690055847168
Cc1cccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1,-1.1664299964904785
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2937787771224976
Nc1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1,-1.3754428625106812
O=C([C@@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.24070405960083
N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1,-1.3049465417861938
Cc1cccc(Cl)c1NC(=O)Cc1ccc(C(C)C)cc1,-0.9615886211395264
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823070049285889
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0253082513809204
Cc1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)s1,-1.0215611457824707
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9378005862236023
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885395526885986
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.0085031986236572
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954771757125854
CCc1cc(NC(=O)c2ccc(Cl)c(O)c2)c(C)cc1C,-0.7682755589485168
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.3216391801834106
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl,-0.9077745079994202
COc1ccc(-c2nnc(S)n2Cc2ccc(C)cc2)cc1,-0.9635635018348694
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3900814056396484
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.841298520565033
Cc1ccc(OCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.4044663906097412
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9651994705200195
Clc1ccc(COc2ccc(I)cc2)c(-c2ccccc2)c1,-1.0431236028671265
COc1ccccc1CCC(=O)Nc1ccc(Br)c(N)c1,-1.1608664989471436
CC(C)CCCCNC(=O)N1CC[NH+](C2CC[NH+](C)CC2)CC1,-1.2748600244522095
COc1ccc(C(=O)N2CCC(c3ccc(N)cc3)CC2)cc1,-1.0849350690841675
Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5888553857803345
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0388779640197754
CC(C)(O)Cc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1,-1.5305111408233643
O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.8690842986106873
Clc1ccc(OCCNCc2ccccc2Cl)cc1,-1.502314805984497
C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.642482042312622
Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.8447009921073914
Cc1ccc(CN=C(O)CNCc2ccc(Cl)cc2)cc1,-1.4582546949386597
Fc1cccc(OCC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1744000911712646
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8744428157806396
Cc1cc(F)ccc1N1CCC(NC(=O)C2CCCCC2)CC1,-0.9354758858680725
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0646238327026367
Cc1nnc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)s1,-0.6820876598358154
O=C(NC1(c2ccc(Cl)cc2F)CCOCC1)c1ccccc1,-1.2781888246536255
N#Cc1ccc(OCC[NH+]2CCCC[C@H]2c2ccccc2)cc1,-1.486970067024231
Cc1sccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.1039413213729858
Cc1ccc(CC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1,-1.2781908512115479
Cc1noc(CC2CCN(C(=O)c3ccc(F)cc3)C2)n1,-1.1590605974197388
Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.167104721069336
Cc1ccc(C(=O)NCCC[NH+]2CCC3(CCC3)C2)cc1,-1.5631648302078247
CC(C)(CNC(=O)c1ccc(N)nc1)c1ccc(F)cc1,-1.1051284074783325
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-1.049757480621338
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1,-0.9766649603843689
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2F)CC1,-0.9751896858215332
C[C@@H]1CCC[C@H](C)N1C(=O)NCCc1ccc(F)c(F)c1,-0.7868134379386902
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1390819549560547
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364716053009033
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2645825147628784
Clc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Br,-0.8805511593818665
Cn1cc(NC(=O)c2ccc(O)cc2)c(C2CCCC2)n1,-1.1404072046279907
COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.639045238494873
Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N)cc1,-1.105238676071167
COc1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1,-1.3911967277526855
C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4760440587997437
O=C(Nc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1,-1.0678452253341675
O=C(COc1ccccc1)N1CCN(c2ncccc2Br)CC1,-1.1066762208938599
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439751505851746
Cc1ccc(CNc2ccc(-c3cccc(Cl)c3)cc2)cc1,-1.329833745956421
CCC(C)C(=O)NC1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0164769887924194
Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4417396783828735
O=C(NCCc1ccsc1)Nc1ccc(Br)cc1,-1.5427532196044922
O=S1(=O)CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1,-1.498887062072754
C[NH+]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4320636987686157
Nc1ccc(CNC(=O)CCCc2ccc(Br)cc2)nc1,-1.2845258712768555
Nc1ncccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8796396851539612
Cc1nc(CN2CC[NH+](Cc3ccc(F)cc3F)CC2)cs1,-0.9101139903068542
O=C(NC1CCCCC1)[C@@H]1CCCN(c2ccc(F)cc2F)C1,-0.8425890207290649
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1444189548492432
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.354749321937561
C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3690273761749268
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)co1,-1.1822924613952637
CCCC[NH+]1CC[C@H](NC(=O)c2ccc(OC)cc2)C1,-1.6138068437576294
C[C@@H]1C[NH+](Cc2cccc(O)c2)CCN1Cc1ccccc1,-1.4889438152313232
CCc1ccc(C(=O)Nc2ccc3c(c2)CC(C)O3)cc1,-1.2489814758300781
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.061747670173645
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9015684723854065
O=C([O-])CCNC(=O)N1CCN(c2ccc(F)cc2F)CC1,-0.9544397592544556
CCc1cccc(NC(=O)c2ccc3c(c2)CC(C)N3)c1,-1.1375353336334229
C[NH+]1CCN(c2cccc(NC(=O)C3CCCc4ccccc43)c2)CC1,-0.9152719974517822
Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.053728461265564
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2988662719726562
COc1ccc(OCCC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5506880283355713
O=C(c1ccccc1)N1CCC[C@@H](Cc2ccc(O)cc2Cl)C1,-1.040714144706726
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.2128137350082397
Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)o1,-1.3592127561569214
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Br)c3)C2)nn1,-0.8440232276916504
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc(Cl)cc1,-1.3026182651519775
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5317274332046509
COc1ccc(N)cc1,-2.0294852256774902
Cc1cc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-1.1296466588974
CN1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1,-1.3390915393829346
O=C(NCc1ccc(Br)cc1)[C@@H]1CCC2(CCCCC2)C1,-1.409286379814148
CC(C)(O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.6293731927871704
Fc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1,-0.9654204249382019
c1ccc(CN2CCN(Cc3ccccc3)c3ccccc32)cc1,-1.2664926052093506
Fc1ccc(C[NH+]2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.1843606233596802
O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-1.1079463958740234
Cc1ccc(CN2CCN(c3ccc(S(C)(=O)=O)s3)CC2)cc1,-1.091967225074768
Nc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9096242785453796
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960819840431213
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.125120997428894
O=C(NCCC(O)c1ccc(F)cc1)c1ccc(Br)cc1,-1.2109763622283936
Cc1ccc(C(=O)N2CCCCC2)c(O)c1,-1.6398743391036987
Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.1705108880996704
O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8736124038696289
COc1ccc(CNC(=O)c2cc(Br)no2)cc1,-1.544144868850708
Cc1occc1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.1504731178283691
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653913974761963
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nn1,-0.8766487836837769
CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.577770471572876
CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.6068943738937378
C[C@H]1CCCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1,-1.2942088842391968
Cc1ccc(-c2cc(C(=O)Nc3cnn(C)c3)no2)cc1,-1.2169636487960815
Cc1cc2cccc(NC(=O)N3CCC[C@@H]3C(C)C)n2n1,-0.8461958169937134
COc1cc(C)ccc1C[NH+]1C[C@H](O)C[C@H]1c1ccccc1,-1.2893778085708618
O=C(NCC1CCCCCCCC1)N1CCO[C@]2(CCOC2)C1,-1.5739829540252686
Nc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9902482628822327
CCCOc1ccc(CNc2ccc(C)cc2)cc1,-1.6459507942199707
C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(S(C)(=O)=O)CC1,-1.0699092149734497
Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)n(-c2ccccc2Cl)n1,-0.658068835735321
C[C@H]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc(N)cc23)C1,-0.985507607460022
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.4379405975341797
CC(=O)N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1,-1.0919662714004517
O=C1c2ccc(-c3ccc(F)cc3)cc2C(=O)N1Cc1ccccc1,-0.7798007130622864
[NH3+]CC1CCN(C(=O)C2CCN(c3ccc(Br)cc3)CC2)CC1,-0.9276266694068909
O=C(O)c1cccc(CNc2ccc3c(c2)OCCO3)c1,-1.5461539030075073
CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccns1,-1.5511115789413452
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0552016496658325
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.685816764831543
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984001398086548
O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2s1,-1.1701056957244873
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858144998550415
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0488121509552002
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1,-1.1614097356796265
Cc1nnc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)s1,-1.0489873886108398
Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.2521460056304932
CCc1ccc(C(=O)N2CCN(c3ccc(O)cn3)CC2)cc1,-1.050366997718811
CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1,-1.049204707145691
Cc1ccc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1,-1.1504981517791748
O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.2371474504470825
O=C(CCc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.5100282430648804
C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1795663833618164
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2,-1.242854356765747
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,-1.5933247804641724
[NH3+]C1CCN(C(=O)NC2CC(c3ccc(F)cc3)C2)CC1,-1.0859469175338745
O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2)CC1,-0.9763376712799072
O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.47089684009552
Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(F)cc2)c(C)c1,-1.1303608417510986
O=C(Nc1ccc(I)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.8435400724411011
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(O)cc1,-1.1382834911346436
O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.195127010345459
CC1(NC(=O)c2ccc(O)cc2)CCN(c2ccccc2)CC1,-1.3797327280044556
O=C(NCC1CCC(F)(F)CC1)c1ccc2[nH]ccc2c1,-1.0724594593048096
O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.700416088104248
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.7809552550315857
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.314103603363037
Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1,-0.9804068803787231
NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCOC2)s1,-1.5539411306381226
Clc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(Br)cc2)cc1,-1.0530979633331299
O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccccc2)CC1,-1.291459560394287
CC(C)(O)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.5782673358917236
C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2210758924484253
C[C@H]1CCC[C@H](CNC(=O)NC2CCOCC2)C1,-1.6559864282608032
c1ccc(CN2CC[C@]3(CCN3Cc3ccccc3)C2)cc1,-1.6108031272888184
CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,-1.6168506145477295
O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1Cl,-0.779204249382019
Cc1ccccc1N1CCC(C)(NC(=O)C2CCCCC2)CC1,-1.2053163051605225
Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3833014965057373
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1076867580413818
O=C(C1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2189456224441528
C[NH+]1CCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2)CC1,-1.4036301374435425
Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.2480309009552002
Cc1ccc(C(=O)NCc2ccc3c(c2)CCO3)c(Cl)c1,-0.9954673051834106
Cn1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)n1,-0.7952040433883667
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3421939611434937
c1ccc(C[NH+]2CC[NH+]3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.411791443824768
Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2144384384155273
CN(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.2234233617782593
O=C(Cc1ccc(F)cc1)NCc1ccccc1,-1.6596041917800903
CC(C)(CC(=O)NCc1cncc([NH3+])c1)c1ccccc1,-1.5330535173416138
O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1,-1.4430484771728516
O=C(c1ccc2ccc(F)cc2n1)N1CCN(c2ccc(Cl)cc2)CC1,-0.3881198763847351
Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1798043251037598
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526776552200317
Cc1[nH]c2ccc(C(=O)NCc3ccccc3)cc2c1C,-1.0087153911590576
C[C@H]1CN(C)CC[NH+]1Cc1ccc(C(=O)N2CCOCC2)cc1,-1.1762951612472534
c1ccc(C[NH+]2CCN(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.4547759294509888
C[NH+]1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2)CC1,-1.3020316362380981
O=C(NC1CCCCCC1)N1CCN(c2ccc(O)cc2)CC1,-1.3153796195983887
O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313254117965698
Cc1cc(Br)cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)c1,-0.9270966649055481
Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8859782814979553
O=C(N[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)ccc1F,-1.0100432634353638
Cc1cccc(N(C)CC(=O)Nc2ccc(F)cc2Cl)c1,-0.9647966623306274
Cc1ccc(CNc2cccc(-c3ccc(C)cc3)c2)cc1,-1.372668743133545
Fc1ccc(N2CCC(COc3ccc(Cl)cc3)CC2)cc1,-1.194535732269287
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-0.9931657910346985
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5312223434448242
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4666812419891357
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9368004202842712
O=C(Cc1c[nH]c2ccccc12)NCc1ccc(I)cc1,-1.1618540287017822
CCc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.3573355674743652
CC[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CCS1(=O)=O,-1.2534772157669067
Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.026798129081726
Cc1cc(-c2ccccc2)ccc1OCc1ccc(Cl)cc1,-1.2338110208511353
Cn1ccc(C(=O)N2CC[C@H](C[C@H]3CCCC3(C)C)C2)n1,-1.0633052587509155
CC[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C)sn1,-1.3867229223251343
COc1ccccc1[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(F)cc1,-1.1905895471572876
O=C(CC[NH+]1CCOCC1)Nc1ccc(N2CCOCC2)cc1,-1.5355725288391113
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CCCCC1,-1.5541669130325317
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2[nH]1,-0.9331129193305969
O=C(NCCCc1ccccc1)N1CCOC2(CCOCC2)C1,-1.5974133014678955
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.146628499031067
Cc1cc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2[nH]1,-1.0963481664657593
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056505560874939
Cc1csc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)n1,-1.2559077739715576
CNc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.1272718906402588
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0038459300994873
O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2202173471450806
Cc1ncc(-c2ccccc2)c(NCc2ccc(Cl)cc2)n1,-0.8350114822387695
O=C(Nc1ccc(N2CCCC2)cc1)N1CCn2cc[nH+]c2C1,-1.1376467943191528
Cc1ccc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1,-1.1276267766952515
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368146896362305
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016466617584229
CN1CCN(c2ccc(OCc3cccc(Cl)c3)cc2)CC1,-1.2650901079177856
NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1,-0.8780794739723206
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-1.0731912851333618
Cc1ncc(CNC(=O)N2CCOC3(CCOCC3)C2)s1,-1.4998056888580322
O=C(Nc1cc(Cl)ccc1F)c1cccc(N2CCCCC2)c1,-0.8784990310668945
Cc1ccc(N2CCN(C(=O)c3ccc4ncc(Cl)nc4c3)CC2)cc1,-0.3926408290863037
O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9688254594802856
[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9433397650718689
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3702846765518188
Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.464135766029358
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0722230672836304
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124993562698364
Cc1nc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cs1,-0.9927272200584412
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0237489938735962
c1ccc(-c2ccc(Cc3noc(-c4ccccc4)n3)cc2)cc1,-1.2414318323135376
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8892521858215332
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1915327310562134
Cc1ccc(C(=O)Nc2ccccc2C)cc1,-1.6787203550338745
CC[NH+]1CCCC[C@H]1C(=O)NCCc1ccccc1Br,-1.2400420904159546
O=C(NC1CCC(c2nn[n-]n2)CC1)c1cc2ccccc2[nH]1,-0.9364505410194397
[NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1ccc2ncsc2c1,-1.0655698776245117
Cc1cccc(CNc2cc(-c3ccccc3)nc(C)n2)c1,-1.056313157081604
C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH+](C)C2)C1,-1.3422789573669434
Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9908806085586548
COc1ccc(C(=O)NC2CCCN(C3CCCCC3)C2)cc1,-1.294174075126648
Cc1ccc(-c2ccc(CN3CCN(CCCO)CC3)cc2)cc1,-1.3744162321090698
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1037064790725708
O=C(NCc1ccc(F)c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.803788423538208
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056504249572754
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1,-1.0281862020492554
O=CNC1CC(c2ccc(F)cc2)C1,-1.7308244705200195
COc1ccc(C(=O)N2CCN(c3ccc(I)cc3)CC2)cc1,-0.9624572396278381
Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n1,-1.036699891090393
CC(=O)Nc1ccc(SCc2ccccc2)cc1,-1.639526605606079
O=C(NC1CCCCCC1)N1CCC[C@H](c2ccc(F)cc2)C1,-1.2481330633163452
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2680295705795288
Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.2362452745437622
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0307923555374146
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1239815950393677
O=C(Nc1ccccc1C1CCOCC1)c1ccc(F)cc1F,-0.983123242855072
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801560997962952
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3642222881317139
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5719493627548218
O=C(c1ccc2cc(F)ccc2c1)N1CCC[C@H](c2ccc(F)cc2)C1,-0.5672479867935181
CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,-0.9312533140182495
Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.422661542892456
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)n[nH]1,-1.0971591472625732
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.098152756690979
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3006620407104492
O=C(NCc1cc(O)ccc1F)c1c(F)cc(F)cc1F,-0.5718056559562683
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764845967292786
Cc1ccc(C)c(-c2ccc(C(=O)NC(C)(C)C)cc2)c1,-1.0811327695846558
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0593262910842896
O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)[C@@H]1CCCCO1,-0.877253532409668
Cc1ccc(C)c(NCc2ccc(C3CCCCC3)cc2)c1,-1.2276958227157593
Clc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1748926639556885
OC1CCC(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1,-1.4680824279785156
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2772083282470703
O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4887562990188599
COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)c1,-1.4423130750656128
Cc1ccc(-c2ccc(CNC(=O)C(C)CO)cc2)cc1,-1.4501923322677612
O=C(Nc1cc(F)ccc1Cl)N1CCC(c2ccccc2)CC1,-0.8888294100761414
Cc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c(C)o1,-0.9574885964393616
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1044789552688599
Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c[nH+]1,-1.2496337890625
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.12092924118042
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)nc1,-0.9756382703781128
O=C(Nc1cccc2[nH]ccc12)N1CCC(c2ccsc2)CC1,-1.0093642473220825
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9414974451065063
Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1,-0.978093147277832
C[C@@H]1COC[C@@H]1NC(=O)NCCCc1ccccc1Br,-1.4695637226104736
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700602769851685
O=C(Nc1cnn(C2CCCCC2)c1)c1cc2ccccc2s1,-0.9808385372161865
Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cs1,-0.6866637468338013
O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2Cl)CC1,-0.9064253568649292
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4459254741668701
O=C(Cc1ccccc1)N[C@H]1CCC[C@H](N2CCCC2=O)C1,-1.4138054847717285
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5005314350128174
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0139259099960327
Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0271960496902466
COc1cc(C(=O)NCc2ccccc2)nn1C,-1.593520998954773
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9613189697265625
O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Cl)nc1,-1.487744688987732
Cc1ccc(-c2ccc(CNc3ccc(I)cc3)cc2)cc1,-1.2707027196884155
O=C(N[C@@H]1CC[NH+](C2CCOCC2)C1)[C@@H]1CCC2(CC2)O1,-1.547220230102539
Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(S(N)(=O)=O)c1C,-0.8949376940727234
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.2499456405639648
Cc1cccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.0365936756134033
Cc1nnc(C[NH+]2CCN(C(=O)CC3CCCC3)CC2)o1,-1.3312709331512451
C[C@H]1CN(C(=O)Nc2ccccc2F)CCN1c1ccccc1,-1.0321049690246582
C[C@H]1[C@@H](NC(=O)NCC2CCCC2)CCC[NH+]1C,-1.5086148977279663
O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-1.0088393688201904
C[C@@H]1C[NH+](Cc2ccc(O)cc2)C[C@@H](Cc2ccccc2)O1,-1.574019193649292
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.370283603668213
Fc1ccc(CNC2CC(c3cc(F)ccc3F)C2)c(Cl)c1,-0.5057893395423889
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1197556257247925
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5050437450408936
CC(C)(C)c1ccc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc1,-1.102110743522644
Clc1ccc(CNc2ncc(-c3ccc(Cl)cc3)cn2)cc1,-0.8461471796035767
O=C(NOCc1ccccc1)N1CCN(C2CCCCC2)CC1,-1.503912329673767
CC(=O)NC1CCN(C(=O)Cc2cccc(Cl)c2)CC1,-1.2738653421401978
O=C(c1ccc2c(c1)CCCC2)N1CCN(c2c(F)cccc2F)CC1,-0.48641207814216614
Cc1ccccc1CC(=O)NCc1ccc2c(c1)OCO2,-1.4254761934280396
C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)CC(=O)[O-],-1.4845284223556519
Nc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.2194291353225708
O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6888574361801147
Cc1cc(NC(=O)N2CCCC[C@H]2C(N)=O)ccc1F,-0.9683646559715271
C[NH+]1CCCN(c2ccc(NC(=O)C3CCOCC3)cc2)CC1,-1.3992751836776733
O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4725725650787354
Nc1ccc(-c2ccccc2C(=O)NCC(F)(F)F)cc1,-1.007846713066101
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0735021829605103
CN1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1841102838516235
CC(C)(CCC[NH3+])C[NH+]1CCN(C(=O)NC2CCCCC2)CC1,-1.4786118268966675
COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)cc1,-1.0964030027389526
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848567247390747
Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cc1C,-1.5139665603637695
c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0850512981414795
CN1CCN(c2ccc(COc3ccc(Br)cc3)cc2)CC1,-1.24074125289917
CC(C)(O)CC(=O)NCc1ccc(C(C)(C)C)cc1,-1.6038178205490112
c1ccc(CN2CCN(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.290386438369751
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9292689561843872
O=C(c1ccc(F)cc1)N1CCN(c2ccc3cc(F)ccc3n2)CC1,-0.4800097346305847
Cn1cc(C(=O)NC[C@H]2CCC[NH+](C)C2)c2ccccc21,-1.1981390714645386
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.174106240272522
CC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1,-1.2202236652374268
Fc1ccc(-c2ccc(NCc3ccc(I)cc3)cn2)cc1,-1.1154274940490723
O=C(N[C@H]1CCC[NH+]1C1CCCCC1)N1CC[NH+]2CCC[C@@H]2C1,-1.0173254013061523
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9480334520339966
C[NH+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1,-1.351168155670166
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)cc2)C1,-1.269501805305481
Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1,-1.4407565593719482
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.161494255065918
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.6355324983596802
Nc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9023772478103638
C[C@@H]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)[C@@H]1C,-1.0077533721923828
O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8950260281562805
O=C(NCc1ccc(CCCO)cc1)N1CCOCC1,-1.631274700164795
O=C(NCc1cc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1,-0.8890990614891052
Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.1441254615783691
C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9595040678977966
Fc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.250733733177185
Cc1ccc(C(=O)N2CCC(NCC(F)(F)F)CC2)cc1,-1.024155616760254
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1668394804000854
Cc1ccccc1C(=O)N1CCN(Cc2cccc(O)c2)CC1,-1.2001968622207642
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2143630981445312
FC(F)(F)C1CCN(c2cccc(CN3CCCC3)c2)CC1,-1.0166109800338745
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(C)c1,-1.1597825288772583
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1044787168502808
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3O)cc2)cc1,-1.3176509141921997
CCCCCCCCCCCCC(=O)Nc1ccc(OCCC)cc1,-1.5809895992279053
O=C1Cc2cc(C(=O)NCc3ccccn3)ccc2N1,-1.3044497966766357
CC[C@H](C)C(=O)NCC1CCN(c2ccc(Cl)cc2)CC1,-1.1916072368621826
Nc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.8946861624717712
c1ccc(N2CC[NH+](Cc3nncn3-c3ccccc3)CC2)cc1,-1.1369893550872803
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O,-1.1314972639083862
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2208375930786133
Cc1cc(C)cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1,-0.5922296643257141
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2257763147354126
C[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCC2,-1.3649582862854004
C[C@@H]1CC[NH+](CCNC(=O)c2ccccc2)CC(C)(C)C1,-1.534521222114563
C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](C)C1)C[NH+]1CCCCC1,-1.2278307676315308
C[NH+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)C1,-1.357655644416809
c1coc(CNCc2ccc(N3CCCC3)cc2)c1,-1.6869721412658691
CC1CN(C(C)(C)C)CCC1OC(=O)N1CCCCC1C,-1.017952799797058
Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.2475531101226807
Clc1ccccc1CSc1nc2ccccc2n1-c1ccccc1,-0.7599878311157227
C1CCC(N2CCCC2CNCC2CCCO2)CC1,-1.6109765768051147
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C)c2)C1,-1.0177398920059204
O=C(Cc1ccns1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.266441822052002
O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1,-1.2534502744674683
C[NH+]1CCC[C@@H](C(=O)NC2CC[NH+](c3ccccc3Br)CC2)C1,-1.0176423788070679
COc1ccc(CNCCC2CCN(C)CC2)cc1,-1.6719704866409302
N=C(O)CN1CCC(NC(=O)c2cccc(O)c2)CC1,-1.5385173559188843
CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.261291265487671
C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)[NH+](C)C,-1.1148399114608765
Oc1ccc(Cl)cc1CNc1ccc(-c2ccccc2)cc1,-1.2032678127288818
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997010707855225
[NH3+]c1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5015647411346436
Cc1ccc(OCCCCC(=O)NCCS(C)(=O)=O)cc1,-1.6230412721633911
C[C@@H]1CCC[C@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.5870205163955688
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1592754125595093
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.131928563117981
COc1ccc(NCc2ccc(OC)c(O)c2)cc1,-1.5867921113967896
Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.259027361869812
CC(CC(=O)NCc1cccc(F)c1)c1ccc(F)cc1,-1.281934142112732
Cc1nc(C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)cs1,-0.8169865608215332
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.019667387008667
Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0636918544769287
Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3413764238357544
Cc1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1F,-1.0676894187927246
C[NH+]1CC[C@@]2(CCCN(C(=O)NC[C@@H]3CCCCO3)C2)C1,-1.555145502090454
O=C(c1ccnn1Cc1ccccc1)N1CC[C@H]2COC[C@@H]2C1,-1.125853419303894
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c[nH]1,-1.0785390138626099
O=C1CN(c2ccc(NC(=O)C3CCCCC3)cc2)CCN1,-1.4602388143539429
CC[C@@H]1CC[S+]([O-])C[C@@H]1NC(=O)Cc1ccc(Br)cc1,-1.0947519540786743
Cc1ccc(CC(O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3813098669052124
O=C1[C@H](O)CCN1c1ccccc1,-1.8417402505874634
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1789841651916504
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2043511867523193
Cc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cc1,-1.0879076719284058
O=C([C@@H]1CCOC2(CCCCC2)C1)N1CCN(c2ccc(F)cc2)CC1,-1.043899416923523
O=C(NCCCO)C1CC[NH+](Cc2ccccc2)CC1,-1.6167460680007935
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1086384057998657
O=C(NC1CCCCCC1)N1CCN(c2cccc(Cl)c2)CC1,-1.0981963872909546
O=C1CCCCN1C(=O)[C@H]1CC[NH+](Cc2ccc(F)cc2)C1,-1.1447495222091675
O=C(NC1CC=CC1)c1ccc(-c2ccc(F)cc2F)cc1,-1.1005654335021973
O=C(Cc1ccccc1)NCc1ccc2c(c1)CCCO2,-1.540899395942688
Cc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)n1,-0.9850972294807434
Cc1cc(CNC(=O)c2cc3ccccc3s2)ccc1Br,-0.8563035726547241
CC(C)(C)NC(=O)N1CCN(c2ccc(Br)cc2Cl)CC1,-0.7503647804260254
O=C(CCC(=O)Oc1ccc(F)cc1)Nc1ccccc1Br,-1.314988613128662
Oc1c(F)cccc1CN1CCCC1Cc1ccc(Cl)cc1,-0.9502012729644775
NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,-1.1441775560379028
Cc1cnc2ccc(C(=O)N3CCN(c4cccc(O)c4)CC3)cc2c1,-0.6648231148719788
COc1nc(C)sc1NC(=O)c1ccc2c(c1)CCCC2,-0.8180423378944397
O=C(CN1CCCC1=O)Nc1ccccc1N1CCCCC1,-1.3606938123703003
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3313120603561401
CCNc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)cc1,-0.7790711522102356
O=C(NCc1cc2ccccc2o1)c1ccc(Cl)cc1F,-0.9999655485153198
C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(F)c(O)c1,-1.0467828512191772
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.142540454864502
Cc1ccc(CN2CCN(C(=O)c3ccccc3N)CC2)cc1,-1.115189790725708
O=C(Cc1ccc(F)cc1)NCC(O)=Nc1ccc(F)c(Cl)c1,-0.9967197775840759
C[NH+]1CCN(C(=O)CNc2ccc(-c3ccccn3)cc2)CC1,-1.2563942670822144
Oc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4817349910736084
O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8604725003242493
O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0334428548812866
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5162971019744873
CC(C)(C)C(=O)N1CCC(NC(=O)C(C)(C)CC(=O)[O-])CC1,-1.2022249698638916
O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9179467558860779
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1891621351242065
O=C1C[NH+](C2CCCCC2)CCN1,-1.7961868047714233
CC(C)[NH+]1CCC[C@H](C(=O)NCc2ccoc2)C1,-1.6022201776504517
Cc1cccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)c1,-1.026211142539978
O=C1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)N1,-1.227858543395996
C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2,-1.5818358659744263
CCc1ccc(OCCOc2ccc(C)cc2)cc1,-1.6979944705963135
O=C(c1ncccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.812692403793335
O=C(Nc1ccc(C2CCCC2)cc1)c1ccc2[nH]ccc2c1,-1.2063089609146118
C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)CC1,-1.34857177734375
C[C@H]1CCCC[C@@H]1CNC(=O)C1CCCC2(CCCCC2)CC1,-1.3122566938400269
CC1(O)CCN(C(=O)Nc2nc(-c3ccccc3)ns2)C1,-1.2116137742996216
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.300389051437378
Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,-0.8512744903564453
Cc1ccc([C@@H]2CCCC[NH+]2Cc2ccc(S(N)(=O)=O)s2)cc1,-1.0328673124313354
Cc1nc([C@H]2CCN(C(=O)Nc3cccc(Cl)c3)C2)n[nH]1,-0.9099345207214355
Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.4172743558883667
O=C(Nc1ccc(-c2ncco2)cc1)c1cc2ccccc2[nH]1,-1.1579426527023315
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2722961902618408
CCc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.13759183883667
C[C@H]1CCC[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1,-1.1385287046432495
Cc1ccc(CNC(=O)c2coc3ccc(F)cc23)cc1,-1.1327518224716187
O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCOC1,-1.0593006610870361
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.1357556581497192
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2148394584655762
CC(C)CCCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1,-1.3052021265029907
O=C(NCc1cccc(O)c1)c1ccc2c(c1)OCCO2,-1.4279358386993408
C[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3ccccc3F)n2)C1,-0.9216892719268799
Cc1cccc(C[NH+]2CCN(C(=O)c3ncccc3C)CC2)c1,-1.061354160308838
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0659672021865845
O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1300655603408813
CC(C)c1ccc(C(=O)N[C@@H]2COC3(CCCC3)C2)cc1,-1.5077484846115112
O=C(Nc1ccc(Br)cc1O)N1CCN(c2ccccc2)CC1,-1.0088059902191162
CCc1ncc(C(=O)NCc2ccc(N)cc2)s1,-1.266925573348999
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8166680335998535
Cc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cn1,-0.9715107083320618
C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1,-1.2252440452575684
C[C@@H]1CN(Cc2ccc(Oc3cccc[nH+]3)cc2)C[C@H](C)O1,-1.5250898599624634
C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1082664728164673
O=C(O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-1.4868855476379395
O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2168477773666382
O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1,-1.4900059700012207
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5501774549484253
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(N)c1,-1.0719166994094849
Nc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.3357590436935425
Cc1ccc(CCNC(=O)NC2CCOCC2)o1,-1.6900043487548828
O=C(Cc1ccc([O-])cc1)NC[C@@H](O)c1ccc(F)cc1,-1.4634852409362793
O=C(NCCc1ccc(O)cc1)N1CCC2(CCCC2)C1,-1.5554628372192383
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.0274112224578857
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9989093542098999
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1,-1.0846848487854004
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531482219696045
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023223400115967
C[NH+]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-1.0465577840805054
Cc1ccc(-c2nc(C(=O)Nc3ncc(C)s3)cs2)cc1,-0.7958659529685974
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2850475311279297
Fc1cccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)c1,-1.2016791105270386
CC(C)(CO)NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.2659550905227661
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1,-1.044889211654663
O=C(c1ccc(Cl)nc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.8520267009735107
CC1CN(CC2CCN(Cc3ccccc3)CC2)CC(C)O1,-1.515409231185913
Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.219409704208374
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2356126308441162
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1,-1.1711530685424805
Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1I,-0.7833189964294434
O=C(Nc1cc(Br)ccc1F)c1ccc(N2CCCCC2)cc1,-0.7887731790542603
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.163547396659851
C[NH+]1CCC[C@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-0.9652777910232544
Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-1.0499709844589233
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9424699544906616
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2020761966705322
O=C(CCc1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1,-1.0285727977752686
O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9238334894180298
O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](CO)C1,-1.5655877590179443
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140263080596924
CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.4992955923080444
CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1209057569503784
Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.1257990598678589
c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.269387125968933
Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cs1,-0.8597146272659302
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1281894445419312
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0357344150543213
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.9835861325263977
O=C(Nc1ccc(O)cc1F)C1CCN(c2ccccc2)CC1,-1.072964072227478
C[NH+]1CCN(Cc2ccccc2)CC1,-1.8160682916641235
CC1CCCCN1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9291715025901794
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9723715782165527
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1566369533538818
Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)[nH]1,-1.052364468574524
O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCOCC1,-1.1135172843933105
Cc1ncc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)o1,-1.1563334465026855
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.8641633987426758
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3F)C2)cc1,-1.1380679607391357
CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1,-1.1428803205490112
Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(C)c1,-0.9649760127067566
CCCC(N)C(=O)N1CCC(C(=O)NC(C)(C)C)CC1,-1.142267107963562
Nc1cc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.8866963386535645
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0112767219543457
Cc1ccc(CNCc2ccccc2S(N)(=O)=O)cc1,-1.5286670923233032
Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9909358620643616
Nc1nc2ccccc2n1CC(=O)OCc1ccccc1,-1.3368265628814697
C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9991014003753662
Nc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1cccc(Cl)c1,-1.104538917541504
O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(O)cc2)C1,-1.193292498588562
CN1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ccccc2)C1=O,-1.232835292816162
CC1(C)CCCN(C(=O)CNC(=O)c2ccc(Cl)o2)C1,-1.2086364030838013
Cc1ccc(CN2CC[NH+](Cc3ccccc3F)C[C@H]2C)o1,-1.160381555557251
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3221968412399292
Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)no1,-0.7760307192802429
Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCS(=O)(=O)C1,-1.2954682111740112
CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.0824589729309082
CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1,-1.2712888717651367
Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)c1,-1.046746850013733
O=C(Cc1ccccc1)N[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.4553427696228027
Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2o1,-1.195839762687683
O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5402848720550537
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9860113263130188
O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCNC2=O)CC1,-0.972517728805542
O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1,-1.1554397344589233
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8673439621925354
C[C@@H](CNC(=O)N1CCCC(C)(C)C1)C[NH+]1CCOCC1,-1.5453073978424072
Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.4973640441894531
O=C(Nc1ccc(Cl)cc1O)c1ccc(-c2ccccc2)cc1,-1.0624021291732788
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874352216720581
O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.3195128440856934
O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CCC2)C1,-0.7159768342971802
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9883398413658142
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cnccc2[nH]1,-0.8643636107444763
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0868438482284546
Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)N2CCCCC2=O)cc1,-1.1091291904449463
Fc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1F,-1.0403547286987305
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0507875680923462
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0324974060058594
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.9300679564476013
Cc1cc2cc(C(=O)NCc3cccc(N)c3)ccc2[nH]1,-1.1300758123397827
Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.1792911291122437
O=C(NCC1CCCCC1)Nc1ccc(Cl)nc1,-1.4783053398132324
CN1CCC(NC(=O)c2ocnc2-c2ccc(F)cc2)C1,-1.1102608442306519
COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0045222043991089
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0286762714385986
COc1ccc(C(=O)N[C@@H]2CCOC3(CCC[NH2+]CC3)C2)cc1,-1.5119167566299438
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1O,-1.5176531076431274
O=C(Nc1ccccc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O,-1.081687569618225
Cc1ccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)cn1,-1.1516586542129517
Nc1ccc(C[C@H]2CCN(Cc3ccccc3)C2=O)cc1,-1.5490156412124634
CC(C)(C)CCC(=O)N[C@]1(C)CC[NH+](C[C@@H](O)C(F)(F)F)C1,-1.2343981266021729
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.284424901008606
Cc1nc2ccc(CNC(=O)N3CCCC(C)C3)cc2o1,-1.0591707229614258
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.160600185394287
O=C(Cc1cccs1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.3782321214675903
Fc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.2812988758087158
Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.654287338256836
COc1ccccc1OCCOc1ccc(Cl)cc1,-1.590883493423462
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3113176822662354
CC1CN(Cc2cccc(Oc3ccccc3)c2)CC(C)O1,-1.5268703699111938
Cc1ccc(-c2ccc(NC(=O)C3CCC(O)CC3)cc2)cc1,-1.2024410963058472
COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6399180889129639
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](C2CCCCC2)CC1,-0.8038400411605835
COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0578685998916626
c1ccc(CC2CN3CCNCC3CN2Cc2ccccc2)cc1,-1.2629122734069824
C[C@H]1CCCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.012251377105713
Fc1ccc(CN2CC[NH+](CCn3cccn3)CC2)cc1F,-1.1427972316741943
CC1(C)CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)C1(C)C,-1.0871973037719727
CC(C)CCC[NH+]1CC[C@@H](NC(=O)c2ccc(Br)cc2)C1,-1.3862825632095337
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1428555250167847
C[NH+]1CC[C@@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1,-0.8887404799461365
C[NH+]1CCN(c2nc(NC(=O)c3ccc(Cl)s3)cs2)CC1,-0.7080174684524536
O=C1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3625894784927368
NC(=O)C(=O)Nc1cccc(Nc2ccc(Cl)cc2)c1,-1.3458181619644165
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.056136131286621
Fc1ccc(CNC2CCCN(c3ccc(F)cc3)C2)cc1,-1.1171830892562866
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700031518936157
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1906882524490356
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.2170015573501587
O=C(N[C@@H]1CC12CCOCC2)N1CCCC[C@@H]1c1ccccc1,-1.504414677619934
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.953935980796814
Cc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O,-1.1647069454193115
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1420879364013672
O=C(NCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1,-1.0498528480529785
O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1,-1.5001678466796875
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9477148652076721
O=C(CCCCC1CCCCC1)NCc1nc2ccccc2o1,-1.4079806804656982
C[C@H]1C[NH+](C[C@H]2CCC[NH+](C)C2)CCN1Cc1ccccc1,-1.4141627550125122
CC1(C)CN(C(=O)c2ccc(C(=O)CC(F)(F)F)cc2)CCO1,-1.0759986639022827
CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.115330457687378
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0238317251205444
Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0604243278503418
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9499085545539856
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0554468631744385
c1ccc(-c2noc(C3CCN(CC4CCCCC4)CC3)n2)cc1,-1.2563713788986206
Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)on3)C2)cc1,-1.2240095138549805
CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2O)CC1,-1.1085491180419922
Nc1cccc(C(=O)Nc2ccc(-c3ccccc3N)cc2)c1,-1.0721266269683838
Fc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1F,-1.1152288913726807
CC(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1,-1.0176938772201538
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0313268899917603
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2839910984039307
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5494871139526367
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2609413862228394
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531218409538269
COC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.2578544616699219
CC1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2385231256484985
O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2ccc(F)cc2)CC1,-0.2957969605922699
CCNC(=O)N[C@H]1CCC[C@@H]1c1ccc(Br)cc1,-1.3253363370895386
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0963778495788574
CC1(C)C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1,-1.5692369937896729
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1,-1.5320231914520264
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1,-0.9382648468017578
Cn1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)n1,-0.8548810482025146
Cc1ccc(-n2ccc(C(=O)N[C@H]3CC34CCC4)n2)cc1,-1.1729342937469482
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1075117588043213
Cc1ccc(C(=O)NC(C)(C)CCN2CCCCC2)cc1,-1.5356006622314453
CN1CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2C1=O,-0.8779231309890747
COc1ccc(N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1,-1.2323503494262695
CC(C)(C)CC(=O)NCc1cccc(N2CCOCC2)c1,-1.5547330379486084
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2931445837020874
O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCCCC1,-1.1936694383621216
O=C(c1ccc(Cl)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.7722921967506409
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.974517822265625
Sc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.352315902709961
CC1CC[NH+](Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1,-1.4441885948181152
O=C(NCC(F)(F)F)C1CCN(c2ccc(Br)cc2)CC1,-0.9555134773254395
Cc1cc(C(=O)Nc2ccn(C)n2)n(-c2ccccc2)n1,-1.0972545146942139
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9890051484107971
C[C@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1cccc(Br)c1,-1.2187862396240234
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.228234052658081
COc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-1.2112042903900146
c1ccc(-c2nc3ccccc3nc2NCC2CCCCC2)cc1,-0.9595847725868225
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.7901841998100281
Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)ccc1Cl,-1.0929068326950073
O=C(N[C@@H]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-1.0007792711257935
Cc1ccc(Br)cc1C(=O)N[C@@H](C)Cc1ccc(F)cc1,-0.9474781155586243
Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(Cl)cc3)C2)on1,-1.0846153497695923
Cc1nnc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.832110583782196
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](F)C1,-1.2741750478744507
O=C(c1ccc(F)cc1Cl)N1CCN(CC2CCCCC2)CC1,-0.7686240077018738
[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9357855319976807
Cn1cc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1,-1.378517746925354
O=C(NCC1CC1)c1ccc(-c2nn[n-]n2)cc1,-1.4264440536499023
Cc1ccc(C[NH+]2CCC[C@@H]2Cc2ccc(F)cc2)c(C)c1,-1.1980425119400024
C[C@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1CC1CCOCC1,-1.227192759513855
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8746702075004578
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1670951843261719
Cc1ccc(CNc2ccc(N3CCC(C)CC3)cc2)cc1,-1.492981195449829
Cc1cc(Br)ccc1NC(=O)C1CC1N1CCC([NH2+])CC1,-0.7384494543075562
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.473767876625061
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.1571239233016968
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(O)CC1,-1.3961360454559326
Cc1ccc(O[C@H]2CCN(C(=O)c3cnn(C)c3)C2)cc1,-1.3301230669021606
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.4392890930175781
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.967792272567749
Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1Cl,-0.49744144082069397
CC1CCN(C(=O)CCNC(=O)c2ccc(Cl)s2)CC1,-1.0049703121185303
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC,-1.4978244304656982
O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(F)cc1,-1.2546831369400024
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2672590017318726
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.3423982858657837
Oc1ccc(CN2CCCC(Cc3ccccc3)C2)cc1O,-1.5314605236053467
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278476476669312
Cn1ccc(CC(=O)NCc2ccc(F)c(Br)c2)n1,-1.180166482925415
O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1,-1.1365641355514526
Cc1ccc(CNC(=O)N2CCC3(CCCO3)CC2)cn1,-1.533068299293518
C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCC3)CC1,-1.1941555738449097
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8855363726615906
O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]cnc2c1,-0.9199123978614807
COc1ccc(OCCC(=O)N2CC(C)OC(C)C2)cc1,-1.5454484224319458
Cc1ccc(N2CCN(C(=O)c3ccc4oc(=O)oc4c3)CC2)cc1,-0.8759583830833435
Cc1ccc(CN2CCN(C(=O)CC(C)(C)C(=O)O)CC2)cc1,-1.2890591621398926
Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.5023329257965088
O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1,-1.3637036085128784
O=C(NC[C@@H](O)Cc1ccc(I)cc1)c1ccc(F)cc1,-1.2045397758483887
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](F)C1,-1.2863045930862427
[NH3+][C@H](CCc1ccccc1)C(=O)NCc1ccc(I)cc1,-1.4047988653182983
Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.225398302078247
Cn1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1,-1.2170509099960327
CN(C)C(=O)CNC(=O)Nc1ccc(F)cc1,-1.6177245378494263
Oc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.3210492134094238
C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.183857798576355
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2367396354675293
COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.4681122303009033
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.975199282169342
C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)[O-])C[C@@H](C)O1,-1.3469966650009155
Cc1nc(CNC(=O)C[NH2+]C2CCCCC2)cs1,-1.5590152740478516
O=C(N[C@@H]1CCN2C=CC=CC=CC12O)c1ccc(Cl)nc1,-1.2529807090759277
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895851373672485
O=C(Cc1ccc(F)cc1)NC[C@H]1C[C@@H]1C1CCOCC1,-1.4200984239578247
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133988857269287
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1502835750579834
C[C@@H]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C1,-0.9903106093406677
Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2o1,-1.195438265800476
C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2203608751296997
Cc1cccc([C@H](O)CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1,-1.4356566667556763
Fc1ccc(C[NH2+][C@@H]2CCCN(C3CCOCC3)C2)cc1F,-1.1120525598526
O=C1NCc2ccc(CNC(=O)[C@@H]3CCCCO3)cc21,-1.3746693134307861
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.963594913482666
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571053981781006
Cc1cc(Cl)ccc1NC(=O)[C@H]1COCCN1c1ccccc1,-1.0630457401275635
Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.1841421127319336
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(O)c1,-1.1458916664123535
CN1CC(NCc2ccccc2-c2ccccc2)CC1=O,-1.3716686964035034
Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.1349377632141113
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1C,-0.5337382555007935
C[C@@]1([NH+]2CCOCC2)CC[C@@H](NC(=O)CC2CCCC2)C1,-1.556100606918335
Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.079424262046814
Cc1ccc(CNc2nc(Cl)c(N3CCCCC3)cc2Cl)s1,-0.3792053461074829
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(Br)cc1,-0.9988131523132324
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)nc2)CC1,-0.9233177304267883
CN(C)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.110038161277771
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)c(F)c1,-1.005690097808838
O=C(c1ccc2cc(Cl)ccc2n1)N1CCC(c2ccc(Cl)cc2)CC1,-0.3035143315792084
Cc1cc(O)ccc1CC(=O)NCCc1ccc(Br)cc1,-1.3907113075256348
Clc1cccc(-c2ccc(NCc3ccc(Br)cc3)cc2)c1,-1.0765842199325562
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3010673522949219
Cc1ccc([C@@H](O)CNC(=O)Cc2cccc(C)c2)cc1,-1.5258843898773193
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4866880178451538
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0981022119522095
CC(C)(C)NC(=O)N1CCN(c2ccc(Br)cc2Cl)CC1,-0.6975464224815369
COc1ccc(N)cc1C(c1ccc(Cl)cc1)C1CCCC1,-1.0097997188568115
CC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CC(=O)N4)CC2)CC1,-0.9233267307281494
O=C(N[C@@H]1CCC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1,-1.136519193649292
Cc1ccc(COc2cc(O)ccc2-c2ccccc2)cc1,-1.4170444011688232
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424174189567566
CC(=O)Nc1ccc(COc2ccccc2)cc1,-1.698461651802063
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1,-0.836054801940918
Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.48931705951690674
Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1874579191207886
CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCO1,-1.582338809967041
c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.1808216571807861
Cc1ccccc1NC(=O)N1CCC(c2cccc(Cl)c2)CC1,-0.9667567014694214
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6929644346237183
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3526451587677002
COc1ccc(CNC(=O)c2ncccc2O)c(F)c1,-1.312526822090149
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2O)C1,-1.0820022821426392
N#Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2)cc1,-1.3376901149749756
C[C@H](C(=O)N1CCOCC1)C(=O)N1CCC(C)(c2ccccc2)CC1,-1.1457250118255615
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.252569556236267
O=C(NCC1CCCCC1)Nc1ccc(Cl)cn1,-1.4746590852737427
Brc1ccc(Cn2cnc3ccccc32)cc1,-1.3600529432296753
[O-]c1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.396698236465454
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4254724979400635
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(O)cc2)CC1,-1.0662528276443481
Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9233937859535217
Cc1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.435178518295288
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0296419858932495
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-1.0510475635528564
O=C(Nc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1O,-1.1505334377288818
C[C@H]1CCC[NH+](C(C)(C)CC(=O)NCc2ccccc2)C1,-1.5437477827072144
Cc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)nc1,-1.0564279556274414
Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.1006534099578857
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9541123509407043
CCOCCNC(=O)C[C@H]([NH3+])c1ccc(Br)cc1,-1.591413140296936
Cc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)C2=O)cc1,-0.7486763000488281
CC1(C)CC[C@@H](NC(=O)COc2ccc(Br)cc2)CCO1,-1.4935967922210693
O=C(c1cccc(O)c1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1,-1.2273905277252197
CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.5095754861831665
C[C@@H]1CN(C(=O)NC2(c3ccccc3)CCC2)C[C@H](C)O1,-1.5263152122497559
O=C(NCc1ccccc1)N1CC[C@H](O)C2(CCCC2)C1,-1.5506914854049683
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0864611864089966
C[C@@H](CC[NH+]1CCCCC1)NC(=O)Cc1ccc(F)cc1,-1.5308876037597656
O=C1CCC[C@H](C(=O)Nc2cccc(-c3ccccc3)c2)N1,-1.3730714321136475
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.217755675315857
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124974727630615
Cc1cc(C(=O)NCc2ccc3[nH]ccc3c2)ccc1Cl,-0.9765523076057434
CC(C)C(=O)Nc1ccc(OCCC(F)(F)F)cc1,-1.5664877891540527
Cc1ccc(NCc2ccc(-c3ccccc3)cc2)c(O)c1,-1.3475925922393799
CO[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@@H](C)C2)C1,-1.6060377359390259
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2939358949661255
O=C(Cc1nc2cc(Cl)ccc2o1)OCc1ccccc1,-1.3262680768966675
CCC(=O)N1CCC(CN2CCC(C(C)(C)C)CC2)CC1,-1.1077779531478882
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.464882493019104
O=C(c1ccc(F)cc1)N1CCCC(C(O)=NCc2ccccc2)C1,-1.0751243829727173
CS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1,-1.1242088079452515
CC(C)COc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.445299744606018
c1ccc(CN2CCN(c3ncc(-c4ccccc4)s3)CC2)cc1,-1.1477326154708862
c1ccc(Cn2c(-c3ccccc3)nnc2N2CCCCC2)cc1,-1.2450942993164062
Cc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3F)C2)cn1,-1.046747088432312
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-0.9994412064552307
Cc1ccc(C)c(NC(=O)c2ccccc2N2CCOCC2)c1,-1.1273682117462158
Cc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2)cc1,-1.2821199893951416
CC(=O)N1CCC[C@@H](NC(=O)c2ccnc3ccccc23)C1,-0.9861288070678711
Cc1cc(C)c(-c2ccccc2)cc1NC(=O)C1CCCCC1,-1.0277119874954224
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4437881708145142
COc1ccc(CNC(=O)c2ccc(I)cc2)s1,-1.4704039096832275
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.8888789415359497
COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2,-1.2526795864105225
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382924318313599
Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.5918129682540894
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.288928508758545
O=[N+]([O-])c1ccc(CN=C(O)COc2cccc(F)c2)cc1Cl,-1.0738142728805542
COc1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1,-1.674759030342102
O=C(Nc1ccc2scnc2c1)N1CC[C@H](c2ccccc2)C1,-1.1292812824249268
O=C(c1ccc(F)cc1Cl)N1CC[NH+](CC2CCCCC2)CC1,-0.7854688167572021
Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.044839859008789
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5314385890960693
Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9808093309402466
O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](C(F)(F)F)C1,-0.7405968904495239
C[C@H]1CCCC[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.4103153944015503
CCNC(=O)c1ccc(CN2CCC(O)C2)cc1,-1.624780535697937
O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1,-0.757469892501831
Cc1cccc(C(=O)NC2CCN(CC(F)(F)F)CC2)c1,-1.1061151027679443
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0333365201950073
Cc1ncccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9820646047592163
CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCO1,-1.559257984161377
O=C(N[C@H]1CCn2cnnc2C1)c1ccc(C2CCCC2)cc1,-0.9081029295921326
Cc1ccc(C(=O)O)cc1F,-1.8059331178665161
O=C(C[NH+]1CCOCC1)Nc1ccc(-c2ccccc2F)nc1,-1.2382322549819946
Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1369520425796509
COc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1,-1.0634130239486694
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9597417712211609
CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1707189083099365
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.3411569595336914
Nc1cccc(NC(=O)C2CCN(c3ccccc3)CC2)c1F,-0.9443554878234863
Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cn1,-1.3094347715377808
Cc1nc(C(=O)N2CCC[C@H]2Cc2ccc(Cl)cc2)cs1,-0.9361532330513
c1ccc(C[NH+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1,-1.422569751739502
O=C(CCc1ccccn1)N[C@@H]1CCCN(c2ccccc2)C1,-1.4828402996063232
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1,-1.3048993349075317
Cc1cccc(C(=O)NC2CC(c3ccc(F)cc3)C2)n1,-1.045493245124817
Fc1ccc(CN2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.3032394647598267
Cc1ccc(NC(=O)NC[C@H]2CCCCO2)cn1,-1.6388787031173706
O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.1990981101989746
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2cccc(F)c2)CC1,-0.5518577694892883
Fc1ccc(C[NH+]2CCC[C@H](Cc3ccccc3)C2)cc1Br,-1.264819860458374
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750938653945923
O=C1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.0271438360214233
Cc1ccc(CNC(=O)N2CCC[C@H](CO)C2)o1,-1.6325366497039795
COc1ccc(CNC(=O)c2c[nH+]c(Br)[nH]2)cc1,-1.5153347253799438
O=C(NCc1ccccn1)N[C@H]1CCC[C@H](F)C1,-1.5910853147506714
O=C(NCCOc1ccccc1)c1cnc(Br)s1,-1.499818205833435
Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)s1,-1.185782790184021
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2cc[nH]c2c1,-1.1602838039398193
C[C@H]1CC[C@@H](CNC(=O)c2ccc3c(n2)CCCC3)CC1,-1.0991841554641724
Cn1cc(NC(=O)c2ccns2)c(-c2ccc(Br)cc2)n1,-0.8213885426521301
Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1170055866241455
C[C@H]1CCC[NH+](C2CCN(C(=O)Nc3ccccc3F)CC2)C1,-0.9708437919616699
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1553678512573242
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1,-1.0389000177383423
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139811277389526
COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6392271518707275
Cc1cc(O)ccc1NC(=O)[C@H]1CC(=O)N[C@H]1C(C)C,-1.0568190813064575
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2203452587127686
O=C(Cc1ccccc1Cl)NC1CC[NH+](C2CCCCC2)CC1,-1.1289043426513672
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2719017267227173
COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.5133284330368042
Cc1cc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)ccc1Cl,-0.886443018913269
Nc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.357333779335022
Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.477962851524353
O=C(Nc1ccccn1)C(=O)N1CCC([NH+]2CCCC2)CC1,-1.293302297592163
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1662907600402832
[NH3+]C1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1,-1.356801986694336
O=C(C1CC(F)(F)C1)N1CCC(C[NH+]2CCCCC2)CC1,-1.2032748460769653
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5102362632751465
O=C(N[C@@H]1CCC[C@H]1c1cccc(F)c1)[C@H]1CCC1(F)F,-0.8588377833366394
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4276878833770752
CC(C)(CO)C(=O)NCc1ccccc1N1CCCCC1,-1.5233243703842163
CC(=O)c1ccccc1NC(=O)c1ccc(F)c(F)c1,-1.1402777433395386
C[NH+]1CCC[C@H](C(=O)NC2CC[NH+](CC(F)(F)F)CC2)C1,-1.0319443941116333
C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.1114004850387573
O=C(N[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1F,-1.0097651481628418
COc1ccc(C2CCN(C(=O)c3c(C)noc3C)CC2)cc1,-0.8777098059654236
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0654551982879639
Oc1nc(-c2ccccc2)nc(O)c1OCc1ccccc1,-1.1924214363098145
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.6225144863128662
CC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(F)c2F)CC1,-0.7894702553749084
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5376633405685425
Cc1ccc(CC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3402642011642456
Cc1cccc(CNC(=O)N2CCC3(CCCCC3)C2)n1,-1.4061187505722046
C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5596808195114136
CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1,-1.197138786315918
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8762089014053345
O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.8946653604507446
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cn1,-1.109519600868225
Cc1ccc(C(=O)NCc2cn(C)c3ccccc23)cc1,-1.1454709768295288
Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.180051326751709
O=C(NCC(=O)N1CCC[C@H](O)C1)c1ccc(Cl)cc1,-1.3403059244155884
O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CC[NH2+]C2,-1.2119691371917725
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1367663145065308
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)no1,-1.1017980575561523
Nc1ccc(C(=O)N2CCCCC(Oc3ccccc3)C2)cc1,-1.4084808826446533
CC(C)(O)CC(=O)NCCC(=O)Nc1ccc(F)cc1,-1.5967506170272827
CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1cccc(F)c1,-0.9889551997184753
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-1.049784779548645
CC(C)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1,-1.5339521169662476
O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1,-1.5480278730392456
Cc1cc(O)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-1.0919482707977295
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)nc1,-1.1184931993484497
Cc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1,-1.5711190700531006
Cn1cc(C(=O)N[C@H]2CCC2(C)C)c(-c2ccccc2)n1,-1.0479717254638672
Cc1coc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)c1,-1.2817736864089966
CC1(C)CC(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1,-1.4776138067245483
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)N1CCC(O)CC1,-1.428314208984375
Cc1ccc(CNC(=O)N2CCC3(CCCC3)CC2)cc1,-1.5385971069335938
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1cccc2ncoc12,-0.9650658369064331
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801591396331787
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3750734329223633
COCCCNC(=O)N1CCC[C@H](c2ccccc2)C1,-1.6439603567123413
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.1135321855545044
Cc1ccc(CNC(=O)c2coc3ccccc23)cc1F,-1.0838500261306763
O=C(NCc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1,-0.9040918350219727
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700101852416992
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1582478284835815
O=C(NCc1cccc(Br)c1)c1cc2cc(F)ccc2[nH]1,-0.9390342235565186
Nc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1040860414505005
CC1(C)C[NH2+]CCN1c1ccc(NC(=O)c2ccccc2)cc1,-1.2696595191955566
CC(C)[C@H](O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5234392881393433
CC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4335309267044067
O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.392783761024475
Cc1c(C(=O)Nc2ccccc2Br)cnn1-c1ccc(F)cc1,-0.6213947534561157
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2283096313476562
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9462226033210754
O=C(Nc1nc2ccccc2o1)c1ccc(-n2cncn2)cc1,-1.0636470317840576
Cn1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1,-1.200593113899231
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5717729330062866
CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1,-1.3733055591583252
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.199946403503418
Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)no1,-1.2532662153244019
Cc1ccccc1CNC(=O)N1CCCC1c1ccc(F)cc1,-1.136742115020752
C[C@H]1CN(C(=O)c2ccccc2)CC[NH+]1CCc1ccccc1,-1.4991445541381836
O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)c(I)c1,-0.8552051782608032
Cc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(C)c2)cc1,-1.169500470161438
O=C(COCc1ccccc1)Nc1ccccc1,-1.7911750078201294
N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1,-1.1225041151046753
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1,-1.3608442544937134
Cc1ccc(NC(=O)NC[C@H]2CCCCO2)cc1,-1.6836432218551636
Fc1ccc(CN2CC[NH+](Cc3ccc(S)cc3)CC2)cc1,-1.4708778858184814
O=C(Cc1cccc(F)c1)NCc1nc2ccccc2s1,-1.053300142288208
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.1147979497909546
Fc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1,-1.3473691940307617
Cc1cc2cc(CNC(=O)N3CC[NH+](C)CC3)ccc2[nH]1,-1.1626129150390625
O=C(c1cnccc1Br)N1CCC(Cc2ccc(F)cc2)CC1,-0.8038352727890015
O=C(Nc1ccn(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@@H]21,-1.123735785484314
c1ccc(-c2nc(CNCC3CCCC3)cs2)cc1,-1.5561443567276
CC(C)(O)CC(=O)Nc1cccc(OC(C)(C)C)c1,-1.6671526432037354
Oc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1,-1.5059455633163452
C[NH+]1CCCC[C@@H](NC(=O)N2CCC(c3ccccc3)CC2)C1,-1.3006805181503296
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.949289083480835
C[C@@H](C(=O)NCc1cc(Cl)ccc1F)N1CC[NH+](C)CC1,-0.8740050792694092
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689160585403442
c1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,-1.3367208242416382
CC(C)(O)CNC(=O)N1CCC(c2ccc(Br)cc2)CC1,-1.264012336730957
Cc1cc(I)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0462955236434937
Cc1cncc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)n1,-0.8983005285263062
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1430318355560303
CC[NH+]1CCCC[C@@H]1C(=O)NCc1cnc(C)s1,-1.2595665454864502
O=C(NCc1cc2ccc(F)cc2[nH]1)c1ccc(F)cc1,-1.0237725973129272
CCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C,-1.0615876913070679
Cc1nc(-c2ccc(NC(=O)C[NH+]3CCCC3)cc2)no1,-1.3961031436920166
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1692280769348145
O=C(Nc1ccc(Cl)cc1O)c1ccc(N2CCCCC2)cc1,-1.0808777809143066
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1651642322540283
O=C(N[C@H]1CC12CCOCC2)N1CCCC[C@H]1c1ccccc1,-1.5044196844100952
Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1025618314743042
O=C1N(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5312989950180054
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2616848945617676
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1998817920684814
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1867361068725586
Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1,-1.4038399457931519
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874342083930969
C[C@H]1CCCCN1c1ccccc1C(=O)NC1CC[NH+](C)CC1,-1.0202903747558594
C[C@@H]1C[NH+](Cc2ccc([O-])cc2)CCN1Cc1ccccc1,-1.47134268283844
COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1,-1.0971697568893433
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.374171257019043
C[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(F)c1,-0.8569433689117432
CC1(C)C[C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)CCO1,-1.5294936895370483
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1685082912445068
[NH3+]CC1CCN(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1,-0.9153632521629333
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.3285573720932007
Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(O)cc2)C1,-1.2338498830795288
Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9607226848602295
O=C1[C@H](Nc2cccc(Br)c2)CCN1Cc1ccccc1,-1.450887680053711
Cc1ccc([C@H]2OCC[C@H]2NC(=O)[C@H]2CC[C@H](F)C2)cc1,-1.1805455684661865
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3s2)cc1,-1.0049169063568115
O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC2(CCOCC2)C1,-1.4980300664901733
Cc1cccc([C@H]2C[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1,-1.1047134399414062
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCOC[C@H]1c1ccccc1,-1.0272129774093628
Clc1cc(Cl)c(-c2ccccc2)c(OCc2ccccc2)c1,-1.1496368646621704
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2044060230255127
Cc1ccccc1C(=O)NC1CCC(c2ccc(F)cc2)CC1,-1.020742416381836
[NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9423455595970154
O=C(Cc1ccccc1)NCc1cc2ccc(Br)cc2[nH]1,-1.259864330291748
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2090831995010376
Cc1ccc2cccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2n1,-0.4326721131801605
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.439012050628662
Cc1ccc([C@H]2CCC[NH+](Cc3noc(C(C)C)n3)C2)cc1,-0.9939813017845154
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)o1,-1.3443304300308228
Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(C)nc2)c1,-1.5448533296585083
CC(C)N1CCC(CNC(=O)c2cccs2)CC1,-1.5116468667984009
C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3821955919265747
Cc1cc(O)ccc1-c1nc(COc2ccc(F)cc2)no1,-1.0487972497940063
O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)CCC2,-0.8801155686378479
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.2288713455200195
C[NH+]1CCN(CC(=O)Nc2cccc(N3CCOCC3)c2)CC1,-1.526067852973938
Cc1ccc(-c2ccccc2)c(NCc2ccc(F)cc2)c1,-1.2383129596710205
Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)o1,-1.2631431818008423
O=C(NC1CC2(CCC2)C1)[C@H]1CCO[C@@H]1C1CCOCC1,-1.5352813005447388
Cc1ccc(NC(=O)c2ccc(-c3ccccc3C)cc2)cn1,-1.0616110563278198
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9231207966804504
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.021417260169983
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3146069049835205
O=C(N[C@@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0635919570922852
Cc1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1,-1.2997676134109497
c1ccc(C[NH+]2CC[C@@]3(CC[NH+]3CC3CCOCC3)C2)cc1,-1.5588983297348022
COC(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1,-1.6161242723464966
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.0305678844451904
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.461195707321167
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4262393712997437
Cc1c(F)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0218971967697144
CC1CN(c2ccc(CNc3ccccc3)cc2)CC(C)O1,-1.503358006477356
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1553632020950317
Cc1cccc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)c1,-1.3934283256530762
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.2505377531051636
C[C@@H]1C[NH+](C)CCN1c1ccccc1,-1.7746795415878296
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9375633597373962
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5246615409851074
O=C(Cc1ccc(Br)cc1)NCc1ccc2ncsc2c1,-1.050951361656189
Cc1cc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(C)cn1,-1.0417256355285645
Nc1ccc(F)c(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c1,-0.9324262142181396
Cc1ccc(Br)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1,-1.263944387435913
Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.266268253326416
COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)F)CC2)cc1,-1.3156392574310303
CN1CCN(c2ccc(COc3ccc(O)cc3)cc2)CC1,-1.4575284719467163
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0873233079910278
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689170122146606
O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1,-1.3496350049972534
Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.0258243083953857
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.039544701576233
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2386187314987183
CC1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2743064165115356
O=C([C@H]1CC[NH+](Cc2ccc(F)cc2)C1)N1CC[C@H](F)C1,-1.2264751195907593
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)nc1,-0.9114030003547668
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4139444828033447
O=C1CN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCN1,-1.3028383255004883
Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1,-1.0534785985946655
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CC[NH2+]1,-1.5112401247024536
Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6930418610572815
Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1,-1.0498512983322144
Cc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)s1,-0.9443403482437134
CCc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)n1,-0.881130576133728
Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)cc1,-1.0127958059310913
C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.3167531490325928
CCCC[C@@H]1CCCN1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,-1.0630459785461426
O=C(NC1CCN(c2cccc(F)c2)CC1)[C@@H]1CCCC[C@H]1F,-0.8954422473907471
CC1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2630414962768555
N#Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1,-1.5555050373077393
C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2213871479034424
Nc1ccc(-c2ccccc2)c(NCc2cccc(F)c2)c1,-1.1849427223205566
CCCCc1ccc(N2CC[NH+](Cc3ccc([O-])cc3)CC2)cc1,-1.3365191221237183
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,-0.8080350160598755
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8918824195861816
O=C(CCc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1,-1.506756067276001
C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.5294889211654663
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692908763885498
O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1,-0.9991676807403564
Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.161643624305725
O=C(NCc1ccccc1F)N1CCOCC2(CCOCC2)C1,-1.4817334413528442
Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.149963617324829
Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1113741397857666
O=C(Cc1nc2ccccc2s1)NCc1ccc(O)cc1,-1.2011253833770752
CC1(O)CN(C(=O)N[C@@H]2CCCO[C@@H]2C2CCCCC2)C1,-1.5322092771530151
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(Cl)cc2)CC1,-0.3908202350139618
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5144684314727783
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(O)cc2F)CC1,-1.146073818206787
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7969633340835571
O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.2739481925964355
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.137616515159607
O=C(c1cc2ccccc2s1)N1CCC[C@H]1Cc1ccccc1,-1.0702935457229614
Nc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0240293741226196
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Br,-1.156661868095398
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3916172981262207
Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.340620994567871
O=C(Nc1cnn(-c2ccccc2)c1)c1ccc2ncoc2c1,-1.1274755001068115
O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431983709335327
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(I)c1,-0.9298878908157349
O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.4858602285385132
Cc1ccc(CNc2cc(C)ccc2-c2ccccc2)cc1,-1.4587632417678833
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.022759199142456
C[C@@H]1OCCN(C(=O)Nc2ccc(N3CCCCC3)cc2)[C@H]1C,-1.184805989265442
O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3539305925369263
O=C([O-])N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1,-0.9292659163475037
O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ncc2c1,-1.2307310104370117
Cn1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1,-0.9331935048103333
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172322154045105
Cc1ccc(C2CCN(C(=O)[C@H](C(N)=O)c3ccccc3)CC2)cc1,-1.0416449308395386
CC(C)(O)CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.4375433921813965
O=C(N[C@@H]1CCCC[C@@H]1O)N1CCOC[C@H]1c1ccc(F)cc1,-1.2770711183547974
O=C(NCc1cccc(O)c1)c1ccc2c(c1)OCCO2,-1.4283318519592285
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(I)cc2)C1,-1.1906404495239258
COc1ccc(NC(=O)c2ccc3c(c2)CCNC3=O)cc1,-1.1737035512924194
O=C(O)CC1CCCCC1NC(=O)c1ccc(Cl)cc1,-1.261891484260559
O=C(NCC(F)(F)F)c1ccc(-c2ccc(Cl)cc2)nc1,-0.878101110458374
Cc1nc2cc(NC(=O)Nc3ccc(I)cc3)ccc2[nH]1,-0.8707762360572815
CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-0.9152140021324158
C[NH+]1CCN(c2ccccc2C(=O)NCC(F)(F)F)CC1,-0.9990213513374329
Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.144787311553955
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0438752174377441
O=C(N[C@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9693952202796936
Oc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5044584274291992
Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)o1,-1.220706582069397
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.1246566772460938
CC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1,-1.6182618141174316
Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1C,-1.0857428312301636
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5200845003128052
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3599574565887451
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0077431201934814
CCC(CC)C(=O)Nc1ccccc1C(=O)N1CCOCC1,-1.3560426235198975
O=C(NCc1ccc(Cl)c(F)c1)c1ccc2n[nH]nc2c1,-0.6865670680999756
O=C(NCc1nc2ccc(Br)cc2o1)c1ccc(Br)cc1,-0.8302552103996277
Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0567529201507568
Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.4648027420043945
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1Cl)c1ccc(O)cc1,-0.9278977513313293
O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0755805969238281
O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2378003597259521
C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0360734462738037
O=C(Cc1ccc(Br)cc1)NCc1cn2ccccc2[nH+]1,-1.298458218574524
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2948155403137207
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.9087903499603271
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.0089532136917114
Nc1cc(F)c(C(=O)NCc2ccc(Br)cc2F)cc1F,-0.40208062529563904
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3769620656967163
Clc1ccc(C[C@H]2CCCC[NH+]2Cc2ccc(Br)cc2)cc1,-1.058590054512024
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9695841670036316
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)CC1,-1.1273014545440674
O=C(CC1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4630650281906128
N#Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1,-0.900234580039978
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2904233932495117
O=C(NCc1ccc(F)c(F)c1)N1CCc2[nH]ncc2C1,-0.8028720617294312
C[C@@H]1C[NH+](Cc2ccc(OC3CCOCC3)cc2)C[C@@H](C)O1,-1.5299663543701172
Cc1cc(C(=O)Nc2ccnn2-c2ccc(Br)cc2)n[nH]1,-0.8899873495101929
C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCO1,-1.2359291315078735
CCOc1ccc(-c2nnc(O)n2-c2ccc(Cl)cc2)cc1,-0.9178353548049927
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5510549545288086
CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0909905433654785
CC1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.1461862325668335
Cc1ccc2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2c1,-0.8147085905075073
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.1179019212722778
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741641521453857
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.159548282623291
Cc1ccc(OCc2noc(-c3ccc(Br)cc3)n2)c(C)c1,-0.9367461204528809
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1,-0.901105523109436
N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1,-0.9580249190330505
Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl,-1.1750339269638062
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617117047309875
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5241237878799438
c1cc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc[nH+]1,-1.178970217704773
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8594772815704346
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.1760071516036987
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0701282024383545
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851287364959717
Nc1cc(F)ccc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1,-1.1234134435653687
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9888808131217957
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9791209697723389
O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1036297082901
CC(C)C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1,-0.9077605605125427
O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.7085342407226562
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1910899877548218
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.1768532991409302
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.708067536354065
Cc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.430812954902649
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2216169834136963
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4805078506469727
O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccccc2)CC1,-1.417170524597168
O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.507257103919983
C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)O)cc2)CC1,-1.5112249851226807
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0639185905456543
Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9787251353263855
C[C@@](O)(CC1CCCCC1)C(=O)NCc1ccc([NH3+])cc1,-1.569043517112732
Cc1cc(Cl)ccc1NC(=O)C(C)(C)Oc1ccccc1,-1.5173349380493164
O=C(Nc1ccc(F)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.2239534854888916
C[C@@H]1CCC[NH+](C[C@@H](O)CNC(=O)c2cccc(F)c2)C1,-1.3577280044555664
O=C(NCc1ccc(Br)cn1)NC1CCCCC1,-1.5121620893478394
Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.128250241279602
CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.688891053199768
O=C(Nc1cccnc1)[C@@H]1CCC[NH+]1CC1CC1,-1.608906626701355
Fc1ccc(-c2ccc(Cl)nc2NCc2ccccc2)cc1,-1.0564204454421997
Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2o1,-1.1986157894134521
O=C(Cc1ccc2c(c1)CCC2)NC[C@H]1CCOc2ccccc21,-1.1289055347442627
CC(C)[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.1592073440551758
C[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1,-1.4617135524749756
O=C(Nc1cccc(F)c1F)N1CCN(c2ccccc2)CC1,-0.9545121788978577
CNCc1ccc(F)cc1,-1.9250216484069824
Cc1ccc(CNc2ccc(O)cc2-c2ccccc2)cc1,-1.4925824403762817
C[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCNC3=O)cc2)C1,-1.1203594207763672
Fc1ccc(C[NH+]2CCN(CC3CCOCC3)CC2)cc1Cl,-1.131960153579712
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2754905223846436
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3433870077133179
c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.4046943187713623
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2ccc(F)cc2)CC1,-0.6340251564979553
Cc1cc(NCc2ccc(Cl)cc2)n(-c2ccccc2Cl)n1,-0.773768424987793
Cn1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cn1,-0.9870613813400269
O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1C1CCCCC1,-1.180917739868164
Cc1cccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)n1,-1.1016006469726562
COc1ccc(CC(=O)NCc2cccs2)cc1,-1.6432840824127197
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.466334581375122
Cc1cc(C(=O)NC[C@@H]2CC3(CCC3)O2)ccc1Cl,-1.3805336952209473
Cc1cc(F)ccc1C(=O)Nc1cccc(-c2ccccc2)n1,-0.9781789779663086
O=C(c1ncccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8581613898277283
Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1358023881912231
O=C(CCc1ccccc1)Oc1ccc(-c2ccccc2)cc1,-1.5362876653671265
O=C(c1cccnc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.849288284778595
Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC1,-1.0660877227783203
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.237311601638794
Cc1cc(CNC(=O)c2cn3ccccc3[nH+]2)ccc1O,-1.2276920080184937
C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)C1,-1.411206603050232
O=C(C[S+]([O-])CC1CCCC1)NCc1ccc(F)cc1,-1.5399529933929443
Nc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.986035943031311
Cc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.4808906316757202
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531215786933899
Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-1.0517593622207642
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-1.0477460622787476
C[C@@H]1CSCC[C@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-0.824123740196228
Cc1ccc(O)cc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.188297986984253
O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5130370259284973
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1907658576965332
Cc1ccccc1-c1ccc(NC(=O)c2cccc(F)n2)cc1,-0.9878098964691162
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)co1,-1.3374090194702148
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)no1,-0.8465940356254578
CC(=O)C1CCN(C(=O)Nc2cccc3cccnc23)CC1,-1.1020342111587524
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2986717224121094
CC(C)C(C)(O)CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1,-0.7902267575263977
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1411116123199463
Cc1cc([NH3+])ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.0579215288162231
O=C(c1ccc(Cl)cc1F)N1CCN(CC2CCOCC2)CC1,-0.9236395955085754
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)cc1,-0.7479618191719055
CN(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1,-1.0763046741485596
Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.341339349746704
Cc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0714216232299805
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846151113510132
Fc1ccc(C[NH+]2CCN(c3noc(C4CC4)n3)CC2)cc1,-1.0070253610610962
C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1,-1.0562803745269775
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1,-1.0304604768753052
[NH3+]C1CCC(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1,-1.3409866094589233
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)cc1,-0.9481696486473083
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1313050985336304
O=C(Nc1ccc(Br)cc1)N1CCC(N2CCCC2=O)CC1,-1.0639159679412842
Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9858099818229675
C[NH+]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5578794479370117
CC(C)[NH+]1CCC[C@H](NC(=O)CCc2ccc(F)cc2)C1,-1.313268780708313
CCOc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.6306413412094116
Cc1cc(I)ccc1C(=O)Nc1ccc(N2CCCCC2)nc1,-0.8765010237693787
O=C(NCc1ccccn1)Nc1ccc(Cl)nc1,-1.5405240058898926
Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.1208690404891968
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.375661015510559
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0417137145996094
O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9367679953575134
Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)n1,-1.0462273359298706
O=C(NCc1cc2ccccc2o1)N1CCC2(CCC2)C1,-1.4996883869171143
Cc1nc(-c2ccccc2)cs1,-1.770280122756958
[NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc([O-])cc2)cc1,-1.0371708869934082
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0855833292007446
C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1,-0.49530524015426636
C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3554211854934692
CN(c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1,-1.070634365081787
Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2378363609313965
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4713859558105469
O=C(Nc1cc(Br)c(F)cc1F)C(=O)NC1CCCC1,-0.7217934131622314
CC(C)(C)C(=O)NC(=O)N[C@@H]1CCC2(CCC2)C1,-1.6035280227661133
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8293570876121521
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255470275878906
Cc1cc2c(C(=O)NCc3ccc(Br)cc3)cccc2[nH]1,-0.9731205105781555
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1200881004333496
O=C(N[C@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.141257882118225
Cc1ccccc1-c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1,-1.1172065734863281
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2915515899658203
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846222639083862
CC(C)COc1ccc(NCc2ccccc2)cc1,-1.7016242742538452
Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0812979936599731
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0675435066223145
O=C(C[C@H]1OCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1,-0.9314491152763367
CC(C)(C)[NH+]1CCC(C(=O)Nc2ccc(O)cc2F)CC1,-0.9991925358772278
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.14671790599823
CC(C)CNC(=O)N1CCC([NH+]2CC[C@H](C)[C@@H](C)C2)CC1,-0.9961972832679749
NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-0.9843716621398926
O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1Br,-0.845558226108551
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0982660055160522
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.08064603805542
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1135419607162476
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.9703829288482666
OC1(c2ccc(Br)cc2)CCC(NCC2CCCCC2)CC1,-1.363589882850647
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.832463800907135
C[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9214802384376526
Cn1ccc(C(=O)N2CC[C@@](C)(Cc3ccccc3)C2)n1,-1.4409338235855103
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)nc1,-0.7034465074539185
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0679748058319092
Cc1ccccc1-c1ccc(NC(=O)Cc2ccccc2)cc1,-1.403801441192627
O=C(NC1CC(F)(F)C1)N1CCC[C@H](c2ccccc2)C1,-1.1874070167541504
Cc1cc(NC(=O)N2CC[C@H](c3ccc(Br)cc3)C2)no1,-1.0487639904022217
Cc1cccc(C2(C(=O)Nc3cccc(F)c3)CCC2)c1,-1.3228055238723755
O=C(c1cc(F)ccc1F)N1CCN(CC2CCOCC2)CC1,-0.9927611947059631
N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,-1.2457358837127686
CN1CC[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)C1=O,-1.1389676332473755
Cc1ccc(-c2ccc(CNc3ccc(N)cc3)cc2)cc1,-1.323016881942749
CCOc1ccccc1C(=O)N[C@H]1CC[NH+](C)C1,-1.613927960395813
CC(=O)N1CCC(NC(=O)c2ccc(O)c(C)c2)CC1,-1.3131237030029297
CC(C)(C)C(=O)N1CCC(NCc2ccc(F)cc2)CC1,-1.157107949256897
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431940793991089
[NH3+][C@@H](CCc1ccccc1)C(=O)NCc1ccc(Br)cc1,-1.4517316818237305
CCOc1ccc(NC(=O)c2cc(Br)[nH]n2)cc1,-1.4361937046051025
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9060843586921692
O=C(NC1CC2(CCC2)C1)c1cc(-c2ccccc2)on1,-1.502708911895752
Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(O)c1,-1.1394526958465576
O=C(NCC1CCCCC1)Nc1ccc(Cl)cc1,-1.579398274421692
[NH3+]c1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9801130890846252
O=C(Cc1ccccc1F)NCc1ccc2c(c1)CCO2,-1.3051830530166626
CCOC1CCN(C(=O)Nc2ccc(C)cc2)C1,-1.6427860260009766
Cc1cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-1.0383117198944092
Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4189509153366089
Cc1ccc(NC(=O)NOCc2ccc(F)cc2)c(F)c1,-1.3198084831237793
C[NH+]1CCN(c2cccc(C(=O)NCC(C)(C)C)c2)CC1,-1.3066751956939697
Nc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1,-1.1823151111602783
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.939624011516571
O=C(Nc1ccc(Cl)cc1)N1CCCC(c2ccccc2)CC1,-1.2758272886276245
Clc1ccc(COc2ccc(Cl)cc2N2CCCCC2)cc1,-1.0317305326461792
N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.346225619316101
Fc1ccc(-c2ncc3c(n2)CCC(NCC2CC2)C3)cc1,-0.7555403709411621
Cn1cc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cn1,-1.3854198455810547
Nc1ccc(CC(=O)NC2CCN(c3ccccc3)CC2)cc1,-1.3418937921524048
Cc1ccc(C[C@@H](O)CNC(=O)C[NH+]2CCCCC2)cc1,-1.6328856945037842
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.274872899055481
Nc1ccc(C(=O)NCC(=O)N2Cc3ccccc3C2)cc1,-1.1548948287963867
O=C(NC1CC2(CCC2)C1)c1cc(-c2ccccc2)on1,-1.512130856513977
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.943953275680542
O=C(NCc1ccc(Cl)cc1)c1cnc2cc(Cl)ccn12,-0.8170455098152161
O=C(O)c1ccc(NC(=O)c2ccc(O)cc2)c(F)c1,-1.2434966564178467
Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)CC2)cc1,-1.2724907398223877
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2[nH]1,-0.9676000475883484
CC(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.4321365356445312
C[C@@H]1CN(c2ccccc2)C[C@H](C)O1,-1.7791491746902466
C[C@H]1C[NH+](CC(=O)NC[C@H](C)c2ccc(Br)cc2)CCO1,-1.341903805732727
Nc1ccccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.0944476127624512
Cc1nc(CNC(=O)N2CCC3(CCC3)C2)[nH]c1C,-1.0664820671081543
c1ccc(-n2nnnc2SCc2ccc3c(c2)OCO3)cc1,-1.05413818359375
C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4774388074874878
Cc1cc(C(=O)NC[C@H]2C[C@H]2C2CCOCC2)ccc1F,-1.0864098072052002
O=C(Nc1ccccc1)N1CCC(c2ccc(F)cc2F)CC1,-1.0812761783599854
O=C(Cc1ccc(O)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.8447640538215637
O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.380571961402893
O=C(N[C@H]1CCc2ccc(F)cc21)N1CCCC[C@@H]1c1ccc(F)cc1,-0.6060625910758972
Cc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.2339932918548584
Fc1ccc(CNC2CCN(c3ccccc3)CC2)c(Br)c1,-0.9790449738502502
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.0110684633255005
O=C([C@@H]1CCOC2(CCCC2)C1)N1CCN(c2ccc(F)cc2F)CC1,-0.7854524850845337
CN(C)c1ccc(NC(=O)NCC(N)=O)cc1,-1.6262046098709106
CC(C)C(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1,-0.8619451522827148
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8242511749267578
CCC(C)C(NC(=O)N1CCOCC1)c1ccc(Br)cc1,-1.2000858783721924
O=C(NC1CC[S+]([O-])CC1)c1ccc(N2CCCCC2)cc1,-1.3919464349746704
O=C(c1cc2c(c(F)c1F)CCCC2)N1CCN(c2ccccc2)CC1,-0.3752248287200928
CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,-0.9312477111816406
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.2334628105163574
Cc1cc(O)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.251269817352295
CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1,-1.4787421226501465
C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1,-1.5245451927185059
C[NH+]1CC[C@@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5961652994155884
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9653351306915283
Cc1nnc(N2CC[C@@H](NC(=O)c3ccc(I)cc3)C2)s1,-0.6745087504386902
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863754272460938
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)nn1,-0.8465155363082886
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114828824996948
Cc1cc(O)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.1339006423950195
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.090623140335083
COc1ccc(C(=O)NCC(O)=Nc2ccccc2Cl)cc1,-1.2378685474395752
Cc1ccccc1C(=O)N1CCC[C@@H](Oc2ccc(F)cc2)C1,-1.1421995162963867
N[C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.1449564695358276
C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.970017671585083
c1ccc(CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1,-1.1619304418563843
c1ccc(C[NH+]2CC[C@@H]3C[NH+](CC4CCCCC4)CC[C@H]3C2)cc1,-1.2710109949111938
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352331280708313
CC(C)(CC(=O)NCC1CCOCC1)c1ccccc1Br,-1.4762334823608398
COc1ccccc1NC(=O)N[C@@H]1CCC1(C)C,-1.599406123161316
Cc1nc(NC(=O)c2cccc(N3CC[C@@H](C)C3)c2)no1,-1.0847538709640503
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5312700271606445
O=C(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.87452232837677
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1053433418273926
Cc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)o1,-1.3883411884307861
Cc1ccccc1CN[C@H](O)C[NH+]1CCOC[C@H]1c1ccccc1,-1.4492648839950562
CC(C)NC(=O)c1ccc(-c2c(F)cc(I)cc2F)cc1,-0.44775786995887756
O=C(Cc1nc2ccccc2o1)NCc1ccc(I)cc1,-1.1944762468338013
O=C(NCc1ccc(Br)cc1)[C@@H]1C[C@H]2CCCC[C@]2(O)C1,-1.2408075332641602
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1521209478378296
Nc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-0.989613950252533
Cc1cc(NC(=O)Cc2cccs2)n(-c2ccccc2)n1,-1.3307690620422363
Brc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9815855026245117
O=C(Cc1ccccc1O)Nc1ccc(N2CCOCC2)cc1,-1.4657443761825562
CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.134291410446167
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1702117919921875
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4217609167099
CC[NH+]1CCC[C@H](C(=O)NCCCc2ccccc2)C1,-1.6087733507156372
Cc1ccc(C(=O)N2CCC(Oc3ccccc3F)CC2)cn1,-1.041572093963623
CCC1CC(NC(=O)c2ccc(OC)c(O)c2)C1,-1.5158320665359497
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.0912922620773315
C[C@H](CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)cc1,-0.8704476356506348
Cc1cccc(C(=O)NCC(=O)c2ccc(Cl)cc2)c1,-1.4518693685531616
O=C(c1ccc2[nH]ccc2n1)N1CCC[C@H](C[NH+]2CCCC2)C1,-0.9958827495574951
Fc1ccc(CN2CCN(Cc3ccc(S)cc3)CC2)cc1,-1.3062952756881714
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9745604395866394
CCOc1ccc(CNc2ccc(Br)cc2C)cc1,-1.5155110359191895
C[SH](=O)(O)c1ccc(C(=O)NCc2ccccc2)cc1,-1.6321916580200195
O=C1CC(Cc2ccc(Br)cc2)CN1Cc1ccccc1,-1.4084622859954834
Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.2076334953308105
O=C(CCc1ccccc1)Nc1ccc(-c2ccncc2)cc1,-1.5042065382003784
CC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCOCC1,-1.4311286211013794
Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c1,-0.8582723140716553
O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCOCC1,-0.9128542542457581
Cc1nc2ccc(CNC(=O)[C@H]3CCC[NH+](C)C3)cc2o1,-1.1072264909744263
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.195138692855835
O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Br,-0.7802462577819824
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987528324127197
O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2ccccc2)cc1,-1.517515778541565
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0637530088424683
O=C(COc1ccccc1)Nc1ccc2c(c1)OCCO2,-1.5640196800231934
Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccn2)CC1,-0.9617792367935181
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.05362069606781
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0086904764175415
c1ccc(C2CC(NCC3OCCCC34CCCC4)C2)cc1,-1.5236377716064453
O=C(CCc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1,-1.508351445198059
NC(=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-1.0873626470565796
Cc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9532935619354248
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8278995156288147
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1,-1.0212783813476562
Cc1cc(CNC(=O)Cc2ccc(C)c(Cl)c2)no1,-1.2305908203125
Fc1cc(Cl)ccc1N1CCOCC1,-1.6117793321609497
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004199028015137
Cc1cccc(CNC(=O)c2nn(C)c3c2CCCC3)n1,-0.7295181155204773
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241883039474487
Cc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)c1,-1.2231032848358154
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.250347375869751
Nc1ncccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.028273344039917
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(F)ccc1Cl,-0.8067080974578857
O=C(c1ccccc1)N1CC[NH+](CC2CC(F)(F)C2)CC1,-1.3068825006484985
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9329496026039124
C[C@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2653921842575073
O=C(Nc1ccc(F)cc1Cl)N1CCO[C@@H](c2ccccc2)C1,-1.0436370372772217
CC(C)(C)C(=O)N1CCC(NC(=O)c2cccnc2N)CC1,-0.900012731552124
O=C(c1ncccc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.076052188873291
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1,-1.023236632347107
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.530846118927002
O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCOC2=O)CC1,-1.0951156616210938
O=C(NCCCO)c1ccc(Cc2ccccc2)cc1,-1.6698864698410034
CC(CF)(C(=O)O)c1ccc(NCc2ccccc2)cc1,-1.535043716430664
O=C(Nc1ccccn1)N1CCN(c2ccc(O)cc2F)CC1,-0.9995943903923035
C[C@@H]1C[NH+](Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.4586987495422363
CCC(C)(C)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5354069471359253
C[NH+]1CCC2(CCN(C(=O)NCC3CCCCC3)CC2)C1,-1.5016940832138062
O=CNc1ccc(C(=O)[O-])cc1,-1.8680287599563599
Cc1ccc(F)c(CNC(=O)CCc2ccc(O)cc2)c1,-1.346274733543396
O=C([C@@H]1CC=CCC1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.250738263130188
C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(F)cc1,-1.546174168586731
Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3F)C2)cc1,-0.801068127155304
[NH3+]c1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.040752649307251
CC1(F)CCN(C(=O)c2cnnn2Cc2ccccc2)C1,-1.1321450471878052
Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4777166843414307
C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1858214139938354
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.485579252243042
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9470678567886353
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.8777815103530884
Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(C)c1,-1.0396026372909546
Cc1ccc(NCc2cc(C)n(-c3ccccc3)n2)c(C)c1,-1.022537350654602
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.002003788948059
Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3029186725616455
Cc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,-0.625694751739502
Clc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1172767877578735
CCOc1ccc(NC(=O)c2csc(C)c2)cc1,-1.5915591716766357
Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccc(F)cc1,-0.6976284384727478
CN(Cc1ccc(O)cc1)C(=O)c1ccc2c(c1)OCO2,-1.3130038976669312
O=C(NC1CCCCCC1)N1CCN(c2ccc(O)cc2)CC1,-1.32552170753479
Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.331526756286621
CC1CN(Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.261361837387085
CCc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.193631649017334
O=C(Nc1ccc(-c2ncon2)cc1)c1ccc2[nH]ccc2c1,-1.0774908065795898
Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.0364158153533936
O=C(N1CCCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.3974995613098145
O=C(NC1CCC(c2cn[nH]c2)CC1)c1cc2ccccc2o1,-1.2120929956436157
COc1ccccc1NC(=O)c1ccc2ccc(=O)oc2c1,-1.1609035730361938
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095365047454834
Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccn2)CC1,-0.9351174235343933
C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)cc1,-1.0663666725158691
O=C(CC1CCCC1)NCC1(N2CCCCC2)CCCC1,-1.5829205513000488
Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(O)c1,-1.0746371746063232
CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccccc2F)CC1,-1.2810086011886597
O=C(NCc1ccccc1)N1CCC2(CC1)C[C@@H](O)CO2,-1.5947651863098145
Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1,-1.244016408920288
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4418694972991943
O=C(Nc1cc(-c2ccccc2)ccc1F)c1cccc(O)c1,-1.123671054840088
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-0.9091211557388306
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844492197036743
O=C(NCCN1CCCC1=O)Nc1ccccc1F,-1.5607813596725464
Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2)CC1,-0.997086226940155
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.071548342704773
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419141292572021
C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1CO,-1.1360046863555908
CC1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1,-1.5528615713119507
C[NH+]1CCC[C@H](NC(=O)C2CCN(c3ccccc3F)CC2)C1,-0.9764699339866638
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1F,-0.8000078797340393
CN1CCN(C(=O)C(=O)N2CCCC[C@H]2c2ccccc2)CC1=O,-0.9296758770942688
O[C@H]1C[C@@H](CCC2CCCCC2)[NH+](Cc2ccc(F)cc2)C1,-1.5050469636917114
Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.34366774559021
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.007784128189087
Cc1ccc(C(=O)N2CC[NH+](Cc3ncccc3O)CC2)cc1,-1.0832351446151733
Cc1nc2ccc(CNC(=O)c3ccc(N)cc3)cc2[nH]1,-0.9684554934501648
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0564615726470947
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3655680418014526
Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.102847695350647
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.0699869394302368
Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7390908002853394
N[C@@H]1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.1842601299285889
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202524900436401
CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.229448914527893
Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9948024153709412
Cc1cccnc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.8309946060180664
CN1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.6262772679328918
O=C(c1ccc(-c2ccc(F)cc2)nn1)N1CCC(CO)CC1,-0.8567280769348145
CC(C)CC(=O)Nc1ccc(Oc2ccc(N)cn2)cc1,-1.409490942955017
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.326446533203125
O=C(Cc1ccccc1F)NC1CCOCC1,-1.665999412536621
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Cl,-0.8870902061462402
Cc1ccc(C[NH+]2CCN(Cc3ccccc3C)[C@@H]2C)cc1,-1.181919813156128
O=C(NCCc1ccc(Br)cc1)[C@H]1CC2(CCCC2)CO1,-1.4716376066207886
COc1cccc(CNC(=O)N2CC[C@H](O)C2)c1,-1.642354130744934
Cc1ccc(CN2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.2389461994171143
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1548244953155518
Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,-1.4684882164001465
[NH3+]c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3646079301834106
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.367681622505188
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.042363166809082
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0919915437698364
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1F)c1ccc(F)cc1,-0.8634809851646423
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2590750455856323
O=C(Nc1ncccc1Cl)N1CCC[C@H](c2ccc(F)cc2)C1,-0.767748236656189
Fc1ccc(C2CCOCC2)c(NCc2cccc(Cl)c2)c1,-1.0952537059783936
COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c(F)c1,-1.3350927829742432
C[C@@H]1OCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C,-1.2386445999145508
O=C(NCc1ccccc1Cl)N1CCOCC2(CCCCC2)C1,-1.4080431461334229
Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2o1,-1.099791407585144
Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0944768190383911
O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1c1ccccc1,-1.536623239517212
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2113780975341797
O=C(CCc1ccc(F)cc1Cl)Nc1nnc(C2CC2)s1,-0.7315901517868042
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2s1,-1.0500577688217163
CCCc1noc(C2CCCCN2C(=O)c2ccc(C)cc2)n1,-0.9607803225517273
C[C@@H]1C[NH+](CCC(=O)N[C@H](C)c2ccccc2)C[C@H](C)O1,-1.5397803783416748
O=C(CCCc1ccccc1)Nc1ccc(N2CCCC2)cc1,-1.5218085050582886
Cn1ncc(NCc2ccc(F)cc2F)c1-c1ccccc1,-0.8468472361564636
Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1,-1.0869977474212646
Cc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nn1,-1.0658042430877686
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458279132843018
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2320984601974487
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.0054837465286255
C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0822263956069946
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9876066446304321
O=C(c1cccc(Br)c1)N1CCc2nc(-c3ccc(O)cc3)ncc2C1,-0.3599078357219696
O=C(NCCc1ccc(Br)cc1)[C@H]1CC2(CCCC2)CO1,-1.4724990129470825
Cc1ccc(NCC(=O)N2CCC(C(C)(C)O)CC2)cc1,-1.408299446105957
O=C(C[NH+]1CCCC1)NC[C@@H]1CCOC2(CCCCC2)C1,-1.622833490371704
Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)no1,-1.207854986190796
Cc1ccccc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1,-1.0294195413589478
O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1,-1.1204429864883423
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4279978275299072
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1685216426849365
Cc1ccccc1C(=O)N[C@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.0303915739059448
O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1,-0.9274927973747253
O=C(NCc1ccc(O)cc1)N1CCC2(CCOCC2)C1,-1.5750212669372559
O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1cc2ccccc2[nH]1,-1.1122492551803589
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4139546155929565
O=C(N[C@H]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(Cl)cc1,-0.943872332572937
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0998696088790894
C[C@@H]1CCN(CC(=O)NCCc2ccc(Br)cc2)C1=O,-1.2040033340454102
Cc1ccc(NC(=O)N2CCCC[C@H]2C2CCCCC2)c(F)c1,-0.9291885495185852
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.49068284034729
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0305367708206177
CCCCCNC(=O)c1ccc(C(=O)N(C)C)cc1,-1.5811450481414795
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.200052261352539
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0709056854248047
CC(C)Cc1nnc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1,-0.784217119216919
COc1ccc(NC(=O)c2cc3c(nc2O)CCCCC3)cc1,-0.8924801349639893
O=C(N[C@@H]1CC[C@H](F)C1)c1ccnn1-c1ccc(Br)cc1,-0.8938230872154236
Cc1cccnc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.974690318107605
Cc1cccc(NC(=O)N2CCC[C@@H](CC(C)(C)O)C2)n1,-1.5267022848129272
O=C(NC1CCCCC1)N1CCN(c2ccc(Br)cc2F)CC1,-0.7773136496543884
Nc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.2714464664459229
Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1,-1.096034049987793
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9322702288627625
Cc1ccccc1NC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1,-0.9663103818893433
Cc1cccc(C(=O)N[C@H]2CCC[NH+](CC(C)(C)O)C2)c1,-1.5299264192581177
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.868744969367981
Cc1cccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)c1,-1.1262444257736206
c1ccc(-c2nc(CN3CCC[C@H](c4ccccc4)C3)no2)cc1,-1.2011525630950928
Nc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6472735404968262
O=C(CCc1cc(O)c2ccccc2n1)NCc1ccccc1,-1.1979426145553589
COc1ccc(C(=O)N2CCC([NH3+])(c3ccccc3)CC2)cc1,-1.3249825239181519
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4581786394119263
O=C(N[C@@H]1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.268228530883789
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.6714601516723633
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.029219150543213
Cc1ccc(N2CCC([NH2+]Cc3ccc(C)nc3)CC2)cc1,-1.3477424383163452
Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.325309157371521
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2781161069869995
Cc1ccc(CCN2CCN(C(=O)c3ccccc3)CC2)cc1,-1.4401911497116089
Cc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cc1,-1.5460400581359863
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9700071215629578
CN1CC[C@H](C(=O)NCCc2ccc(Br)cc2)CC1=O,-1.1526808738708496
CN(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1,-1.5220420360565186
Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(Cl)c1,-1.0562227964401245
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2ocnc2c1,-1.1456973552703857
CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4370805025100708
CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5797785520553589
Cc1ccc(C[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)cc1,-1.5149028301239014
Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)oc2c1,-1.3065987825393677
O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.1783287525177002
C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2704380750656128
Cc1ccc(C(=O)CNC(=O)c2ccc(Br)cc2)cc1,-1.2863017320632935
Cc1ccccc1NC(=O)CN1CC[NH+](C(C)(C)C)CC1,-1.337926983833313
CC1(C)CCN(C(=O)C(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1,-0.9703339338302612
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.046484351158142
C[NH+]1CCC[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9810007214546204
Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9555971622467041
CC(=O)N1CCC(NC(=O)c2ccc(C)c(C)c2)CC1,-1.1234503984451294
COc1cccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)c1,-1.0712109804153442
Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(O)cc1,-1.1375693082809448
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0698708295822144
O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1968860626220703
O=C(Nc1nc(C2CCCCC2)ns1)N1CC[NH+]2CCC[C@@H]2C1,-0.7271425724029541
O=C(N[C@H]1CCC[C@H]1C1(O)CCCC1)c1ccc(F)cc1,-1.3404135704040527
O=C(O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1,-1.145578384399414
C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.2153739929199219
CN(C(=O)c1ccccc1)C1CCN(c2ccc(Br)cc2)CC1,-0.9743514657020569
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258825421333313
Cc1ccc(N2CCC[C@H](NC(=O)c3ncccc3C)C2)cc1,-0.9970707297325134
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1,-1.4785579442977905
O=C(N[C@@H]1CC12CCOCC2)N1CCCC[C@H]1c1ccccc1,-1.4021388292312622
O=C(N[C@@H]1C[C@H]2CCCC[C@H]2C1)c1cc(-c2ccccc2)on1,-1.1057642698287964
Cc1nc(CC(=O)NC[C@@H]2CCC3(CCC3)C2)cs1,-1.402532696723938
NC(=O)c1ccc(NC(=O)N2CCC3(CCCCC3)C2)cc1,-1.3865948915481567
CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCN1,-1.4988044500350952
O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.9078167080879211
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-1.000050663948059
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1905889511108398
CC(N)CNc1ccc(COc2ccccc2)cc1,-1.6895840167999268
C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3566197156906128
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1,-1.190532922744751
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9957320094108582
Cc1nnnn1-c1ccc(NC(=O)CN2CCCC2=O)cc1,-0.9809905886650085
NC(=O)Cc1ccc(Cl)cc1,-1.8176478147506714
COc1ccc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.4052647352218628
CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1,-0.7685301899909973
Cc1ccc(C[C@H]2CCCC[C@H]2Nc2ccc(C)cn2)cc1,-1.1992342472076416
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.971538245677948
Cc1ccc(CNC(=O)c2ccc3nc(O)[nH]c3c2)cc1,-1.1298061609268188
O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccccc1-c1ccc(Cl)cc1,-0.975153923034668
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0139400959014893
C[NH+]1CCCC[C@H]1CNC(=O)Cc1ccc2c(c1)OCO2,-1.3746293783187866
O=S(=O)(CCN1CCOCC1)NCc1ccc(O)cc1,-1.6367605924606323
O=C(Nc1ccc(Cl)cc1)C1(c2ccc(Br)cc2)CCC1,-1.0313829183578491
O=C(NCCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1,-1.4859957695007324
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.306240200996399
O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.3105242252349854
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.566781759262085
Cc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)C(C)C)CC1,-0.754146158695221
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2)C1,-1.0868010520935059
C[C@H]1CCC[C@@H](C(=O)NC2CCN(CC(F)(F)F)CC2)C1,-0.9873119592666626
Cn1cc(NC(=O)c2ccc(Cl)cc2)c(C2CCCC2)n1,-0.9305111169815063
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3700382709503174
CCN1CCCC(CNCCc2ccc(Br)cc2)C1,-1.4895493984222412
COc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1,-1.467724084854126
Cc1ccc(C(=O)NC(C)(C)CCc2ccccc2)cc1,-1.551093339920044
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0911933183670044
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2154790163040161
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1F,-1.1467595100402832
CC1CN(Cc2cccc(Br)c2)CCN1Cc1ccccc1,-1.3994709253311157
Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5013055801391602
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0289793014526367
O=C(NCC1CCCCC1)N[C@@H]1CCC[C@H](O)C1,-1.6545156240463257
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCC2)CC1,-0.9877808094024658
O=C(NCc1ccc(F)cc1F)[C@@H]1CC2(CCCC2)CO1,-1.2823660373687744
CCOC1CCN(C(=O)Cc2cc(F)c(N)cc2F)CC1,-0.9503224492073059
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2413008213043213
O=C(Cc1ccccc1)N[C@H]1CCO[C@H](c2ccccc2Br)C1,-1.2965104579925537
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1429193019866943
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.0181374549865723
Nc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0457676649093628
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)c(Br)c2)CC1,-0.6080944538116455
Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.4557146430015564
CNC(O)=NCc1ccc(NC(=O)c2ccccc2Cl)cc1,-1.2207480669021606
Cc1ccccc1N1CCC(NC(=O)Cc2ccccn2)CC1,-1.2176189422607422
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1F,-0.8891049027442932
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.976945698261261
O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5991332530975342
Cc1nc2cc(C(=O)NCc3ccc([O-])cc3)ccc2o1,-1.1605870723724365
O=C(CC1CCCCC1)NCc1nc2ccc(Br)cc2[nH]1,-0.8961716890335083
O=C(N[C@H]1CCCC[C@@H]1F)c1ccc(-c2cccc(Cl)c2)nc1,-0.8569062352180481
Cc1ccc(CC(O)=NC(C)C(=O)Nc2ccc(Cl)cc2)cc1,-1.1141860485076904
C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1,-1.2758535146713257
C[NH+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2F)C1,-1.0553679466247559
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1,-0.9833846092224121
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6987133026123047
O=C(Nc1ccc(Cl)cc1I)c1ccccc1-c1ccccc1,-0.8056514263153076
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.2355624437332153
Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.5092002153396606
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1418664455413818
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9231349229812622
C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6729135513305664
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0432839393615723
Cc1ccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)cc1,-1.5931483507156372
O=C(NCc1ccccc1)Nc1ccc(F)cn1,-1.629250168800354
CSc1ccc(NC(=O)Nc2ccn(C)n2)cc1,-1.5493131875991821
Nc1ccc(-c2ccc(C(=O)NCC(F)(F)F)cc2)cc1,-1.1870180368423462
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(O)cc1O,-1.1159782409667969
O=C1CCCCN1c1ccccc1,-1.819364309310913
CC(C)N=C(O)C(C)N=C(O)COc1ccc(N2CCSCC2)cc1,-1.0239711999893188
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0730531215667725
Cc1nnc(NC(=O)NCC[NH+]2CCCCC2)s1,-1.3894083499908447
CCCCCCCCCCCCCCc1ccc(OCc2ccccc2)cc1,-1.4968217611312866
O=C(NC[C@H]1COC2(CCCCC2)C1)c1ccc(F)cc1,-1.5302338600158691
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9036145210266113
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)cn1,-0.8066912293434143
Cc1ccc(CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1,-1.5623080730438232
C[C@H]1CCCC[C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.33642578125
NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1,-1.116176962852478
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl,-0.7488757967948914
O=C(NC1CC(c2ccc(F)cc2)C1)N1CCC[C@@H](F)C1,-1.1144729852676392
O=C(NCc1ccc(Br)cn1)c1ccc2c(c1)CCCO2,-1.0248558521270752
Cc1ccccc1N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.1386735439300537
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3623069524765015
O=C(Cc1ccccc1Br)N[C@H]1CCCC[C@@H]1c1cccnc1,-1.0192773342132568
O=C(NCc1ccc(F)cc1)[C@H]1CCC2(CCOCC2)C1,-1.533179521560669
CC(C)Oc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1,-1.6827164888381958
O=C(N[C@H]1CC[NH+](C2CCOCC2)C1)c1cc2ccccc2[nH]1,-1.1909207105636597
COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)C3)cc1,-1.2104748487472534
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395466089248657
COc1cc(CN2CCN(c3nc(C)cs3)CC2)ccc1Cl,-0.7710926532745361
Cc1ccc(-c2ccc(NC(=O)c3ccccc3N)cc2)cc1,-1.118147850036621
COCc1ccc(C(=O)N2CCOCC3(CCCCC3)C2)cc1,-1.5087376832962036
C[C@H]1C[NH+](C2CCCCC2)CCN1C(=O)Nc1ccc(Br)cc1,-0.9045864343643188
O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.078534722328186
Cc1ccccc1NC(=O)N1CCC(c2ccc(N)cc2)CC1,-1.1763696670532227
Cc1ccc(CNC(=O)N2C[C@@H](C)CC(C)(C)C2)s1,-1.2177820205688477
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.16628098487854
Nc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1,-0.8980841040611267
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0439814329147339
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9916967749595642
Cc1ccc(C(C)(C)C)cc1Oc1ccc(C(=O)O)cc1,-1.198140263557434
O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1,-1.3957531452178955
Cc1cc(F)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1,-1.1687352657318115
CN1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1,-1.3992700576782227
O=C(Cc1ccc(F)c(O)c1)N1CCN(c2ccc(F)cc2)CC1,-0.8459706902503967
CC1CC[NH+](Cc2cccc(C[NH+]3CCN(C)CC3)c2)CC1,-1.4461965560913086
O=C(Nc1ccc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8289734125137329
C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccn3)CC2)C1,-1.1571041345596313
Nc1ccccc1N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-0.9953999519348145
Cn1cc(NC(=O)c2ccc(N)cc2)c(-c2cccs2)n1,-1.0088542699813843
Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5762596130371094
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1153918504714966
COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1319884061813354
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.1549088954925537
O=C(CCCc1ccccc1)NCc1ccc(F)c(F)c1,-1.4825533628463745
CCc1ccccc1C(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.8982213735580444
CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1048258543014526
Cc1ccc(N)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.1281460523605347
C[NH+]1CCCN(c2ccc(C(=O)NC3CCCCC3)cc2)CC1,-1.4137736558914185
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2197318077087402
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0331827402114868
COc1ccc(C[NH+]2CC[C@@H]3OCC[C@@]3(c3ccccc3)C2)cc1,-1.4928346872329712
CC(C)CC[NH+]1CCN(c2ccc(Nc3ncccn3)cc2)CC1,-1.2156933546066284
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531795501708984
Cc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9595564603805542
Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1196599006652832
NCCCOc1ccc(C(=O)Nc2ccccc2)cc1,-1.6718628406524658
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8835329413414001
Nc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-0.9798222184181213
CC(=O)c1ccc(C(=O)N2CCN(CC(=O)O)CC2)cc1,-1.3338805437088013
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.103087306022644
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138291358947754
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8997079730033875
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9616907835006714
CC[NH+]1CC[C@H](NC(=O)c2ccc3c(c2)CC(=O)N3)C1,-1.3241448402404785
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8903336524963379
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1528346538543701
O=C1CC[NH+](Cc2ccc(F)cc2)[C@H]1CC1CCCCC1,-1.2931859493255615
Cc1ccccc1C(=O)N[C@H]1CC(=O)C[C@H]1c1ccccc1,-1.2172950506210327
O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,-0.9024986028671265
Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1O,-1.148827075958252
c1ccc(Cn2nnnc2-c2ccc(N3CCCCC3)cc2)cc1,-1.0410261154174805
O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4644465446472168
O=C(c1ccccc1CO)N1CCC(c2ccc(F)cc2)CC1,-1.0192844867706299
O=C(Cc1nc2ccc(Cl)cc2[nH]1)NC[C@H]1CCCCO1,-1.1139776706695557
[NH3+]C1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1,-1.023571491241455
Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1499605178833008
Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1,-1.4105554819107056
O=C(c1cccc(F)c1)N1CCNCC1,-1.6748454570770264
Cc1ccc(CNC(=O)[C@@H]2CCC(F)(F)C2)cc1Br,-1.052233099937439
Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9495318531990051
Cc1ccc(C)c(CCNC(=O)N2CCC(C)(C)CC2)c1,-1.2395851612091064
Cc1cc(F)ccc1NC(=O)N1CC[NH2+]C[C@H]1c1ccccc1,-0.9916980862617493
C[C@@H](C(=O)NC1CCN(c2ccccc2)CC1)[NH+]1CCCCC1,-1.3095815181732178
Cc1cccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)c1,-1.0861960649490356
C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2cccc(Cl)c2)CC1,-0.8589521050453186
Nc1ccccc1C(=O)N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.9580702185630798
C[C@@H]1CCCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4056730270385742
C[NH+]1CC[C@H](NC(=O)COc2ccc(F)c(F)c2)C1,-1.3235020637512207
O=C(NCc1ccccc1)Nc1cccc(O)c1,-1.690552830696106
Cc1ccc(CNC(=O)Cc2cc(F)cc(F)c2)c(Cl)c1,-0.9664570689201355
CC(C)(C)c1ccc(NC(=O)c2cc(Br)ccc2N)cc1,-0.9031004905700684
Nc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1304117441177368
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.03249990940094
O=C(Nc1ccc(Cl)cc1)C(CO)Oc1cccc(Cl)c1,-1.3036658763885498
CC1CN(Cc2ccccc2)C(=O)N1Cc1ccccc1,-1.5265326499938965
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.236023187637329
O=C(Nc1ccc(-c2ccc(F)cc2)nc1O)c1ccccc1,-1.0267432928085327
Oc1ccc(OCc2ccc(-c3ccccc3)c(O)c2)cc1,-1.454296588897705
Nc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.4750155210494995
C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1789069175720215
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2863433361053467
CCc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.5843520164489746
Nc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0893057584762573
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8930431008338928
O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1,-1.0015324354171753
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2898387908935547
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.361314058303833
Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1,-1.5224463939666748
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(O)cc2[nH]1,-1.081921100616455
CC(=O)c1ccc(NC(=O)N2CCCC(C)(C)C2)cc1,-1.4356420040130615
C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9910220503807068
C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2Cl)C1,-0.9715851545333862
O=C(Nc1ccccc1Cl)N1CCC(c2ccc(Cl)cc2)CC1,-0.795224130153656
CCC(CC)C(=O)NCC(=O)N1CCC([NH+]2CCCC2)CC1,-1.2063263654708862
O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7360703945159912
COc1ccc(NC(=O)C(=O)N2CC[C@H](C)C2)cc1Cl,-1.1021298170089722
C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1,-0.9405555725097656
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0315184593200684
O=C(Nc1cccc2occc12)N1CCC[C@@H]1c1ccccc1,-1.1483527421951294
Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1,-1.086543083190918
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1875298023223877
O=C(CCc1ccc(Cl)cc1)NCCc1ccc(F)cc1,-1.4145458936691284
CCOc1ccc(NCCc2cccc(I)c2)cc1,-1.4817942380905151
O=C(C1CCC1)N1CCC[C@@H](c2ccn(-c3ccccc3)n2)C1,-1.0606542825698853
Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3194034099578857
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.276685357093811
Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1F,-1.3508886098861694
C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3561128377914429
O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2745767831802368
O=C(NC1CCCCC1)N1CCN(C2CCCCC2)C(=O)C1,-1.2182261943817139
COc1ccccc1C(=O)N1CCN(c2ccc(C)cn2)CC1,-1.142883062362671
Nc1ccccc1C(=O)NC1CCC(c2ccc(O)cc2)CC1,-1.0594515800476074
O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(c2ccc(F)cc2)CC1,-0.9496768116950989
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.168424367904663
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5053497552871704
C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2236361503601074
Cc1nc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)cs1,-0.926825225353241
Cc1ccc(NCc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.528381586074829
Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0166469812393188
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1895883083343506
CC1(C)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5045686960220337
Cc1ccc(C[C@@H](C)NC(=O)CCc2ccccc2)cc1,-1.5782232284545898
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(Cl)c2)cn1,-1.0700472593307495
Cc1ccc(-n2ccc(NC(=O)c3cc(C)no3)n2)cc1,-1.1899585723876953
CCCCC(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1,-1.180441975593567
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0275664329528809
Cc1ccc([C@@H]2CCCN2C(=O)Nc2nc(C)ns2)cc1,-0.8413600921630859
O=C(N[C@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(I)cc1,-1.068377137184143
C[C@H]1CCCCN1c1ccccc1NC(=O)Cc1ccccc1,-1.2796810865402222
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1843665838241577
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.1788753271102905
Cc1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c(Cl)c1,-0.9511868953704834
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8561181426048279
O=C1C[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)CCN1,-1.2617037296295166
Cc1c(Br)cccc1C(=O)NCc1ccc2c(c1)OCO2,-0.9493271708488464
CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5947457551956177
C[C@H]1CN(C(=O)NC2CCCCC2)CC[C@@H]1c1ccc(Cl)cc1,-0.8791648745536804
Cc1cc(Br)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1,-1.4814788103103638
O=C(NCc1ccc(Cl)c(F)c1)c1ccc2nc[nH]c2c1,-0.8158120512962341
O=C(NCCC[NH+]1CCc2ccccc2C1)c1ccc(F)cc1,-1.1578619480133057
COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6346850395202637
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.0995900630950928
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(O)c1,-1.1416383981704712
Cc1cccc(C(=O)NCc2nc3ccc(Br)cc3o2)n1,-0.8613240718841553
Cc1nc(NC(=O)NCCc2ccccc2)cs1,-1.5994528532028198
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.8990651965141296
Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(Br)cc3)C2)n1,-0.9913478493690491
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9491177201271057
C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9918054938316345
CN1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.2643378973007202
Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.483947992324829
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.00534987449646
CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(Br)s2)C1,-1.2026715278625488
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0654934644699097
Cc1nc(-c2ccc(NC(=O)c3cc(C)sn3)cc2)no1,-0.9609284400939941
Cc1ccccc1CN1CCN(C(=O)c2ccc(N)cc2)CC1,-1.1062276363372803
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0395417213439941
O=C(NCc1ccccc1F)N1CCOCC2(CCCCC2)C1,-1.447277545928955
Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801485300064087
Cc1ncncc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.7661260962486267
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3861979246139526
O=C(NCc1ccc(Cl)c(F)c1)c1[nH+]nc2n1CCCC2,-0.6581375002861023
C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H](C)O1,-1.5576601028442383
CN1CCN(c2ccc(NCc3ccc([NH3+])cc3)cc2)CC1,-1.3669110536575317
Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.108659267425537
C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2748109102249146
O=C(NCc1ccc(F)nc1)[C@@H]1CC2(CCCCC2)CO1,-1.517739176750183
CC1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1,-1.0977129936218262
Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.258596658706665
C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3457529544830322
COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1339547634124756
COc1nc(CNC(=O)c2ccc(F)cc2)cs1,-1.574578881263733
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9040732383728027
C[C@@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9508423805236816
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1805273294448853
Nc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1141490936279297
Cc1ccc(F)cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1,-1.0869404077529907
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9326784014701843
c1ccc(CSc2nc(-c3ccccc3)nc3ccccc23)cc1,-1.0135959386825562
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1,-1.1904934644699097
O=C(Cc1cc(-c2ccc(Cl)cc2)[nH]n1)NC1CCCC1,-1.148667812347412
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0339189767837524
C[C@@](O)(CNC(=O)c1ccccc1)Cc1ccc(Cl)cc1,-1.5284844636917114
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2768040895462036
O=C(N[C@H]1CCC[C@H]1c1ccc(Cl)cc1)C1(O)CCCC1,-1.2417707443237305
O=C(Nc1ccc(-n2cccn2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0941544771194458
O=C(Nc1ccc(N2CCCCC2)cc1)N1CC[S+]([O-])CC1,-1.2984775304794312
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2351571321487427
C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9473923444747925
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2[nH]1,-1.149203896522522
C=CC(=O)Nc1ccc(OCC(O)=NCCC(C)C)cc1,-1.5643151998519897
CCCCc1ccc(NC(=O)Nc2ccccc2)cc1,-1.668880820274353
CCOc1ccc(CN2CCN(CC)C(C)C2)cc1,-1.5743281841278076
Cc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.556754469871521
Cc1cccc(OC(=O)N2CCC[C@@H](c3ccccc3F)C2)c1,-1.1010719537734985
Cc1ccc(C(=O)Nc2ccccc2C)cc1,-1.678719162940979
O=C(C1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7709904909133911
Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3O)CC2)cc1,-1.1401433944702148
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0921351909637451
Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.316528081893921
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.3413045406341553
Nc1ccc(N2CCN(C(=O)NCC(F)(F)F)CC2)cc1,-0.9639118909835815
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.708066463470459
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.3000608682632446
COc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.0641508102416992
C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3698557615280151
O=C(C[NH+]1CCCCCC1)Nc1ccccc1[C@H]1CCCCO1,-1.5019885301589966
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1076867580413818
CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5507208108901978
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n[nH]1,-1.1102873086929321
O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.5143465995788574
CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.4841638803482056
C[C@H]1CN(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)CO1,-1.1933505535125732
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1880205869674683
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2153643369674683
Cc1ccc(NC(=O)C2CCN(CC(=O)O)CC2)cc1,-1.5444579124450684
O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H](c2ccc(Cl)cc2)C1,-0.9568893313407898
O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1471893787384033
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8882651925086975
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,-0.9886711835861206
C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1142598390579224
CC(C)(CNCc1ccc(N2CCCCC2)cc1)C(=O)O,-1.5298928022384644
O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5153658390045166
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0020420551300049
O=S(=O)(Nc1ccc(Cl)cc1)c1ccn(-c2ccc(F)cc2)n1,-0.9860503673553467
CC(C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-1.2883715629577637
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1,-1.2533189058303833
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2ccccn12,-1.1710247993469238
Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3[NH3+])cc2)cc1,-1.0833584070205688
NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1,-0.9075929522514343
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796727418899536
O=S(=O)(CCc1ccccc1)NCc1ccc(O)cc1,-1.6371862888336182
O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.2170737981796265
O=C(Nc1ccccc1)N[C@@H]1CCC[NH+](CCCF)C1,-1.6560553312301636
CC(C)(C)C(=O)Nc1ccccc1,-1.828650951385498
Cc1ccc(CNC(=O)CCc2ccc(Cl)cc2F)cn1,-1.1504863500595093
COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.0292892456054688
C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2O)CC1,-1.1020478010177612
CC1(C)CC[C@@H](NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)C1,-1.4708223342895508
Cc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)c(F)c1,-1.1042895317077637
O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.050659418106079
O=C(NCC(F)(F)F)c1ccc(-c2ccc(F)cc2)cc1,-1.0511689186096191
c1ccc(C[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)cc1,-1.3377374410629272
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.1261341571807861
CN(C)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1,-1.5364551544189453
CCC[NH+]1CC(CNC(=O)c2ccc(O)cc2)C1,-1.6727443933486938
O=C(Nc1ccccc1[C@H]1CCCCO1)c1ccc(F)cc1O,-1.087519884109497
O=C(CN1C(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1,-1.061590552330017
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1907331943511963
O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3580265045166016
O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2cccc(Cl)c2)CC1,-0.9895628094673157
O=C(COCc1ccccc1Cl)N1CCOC2(CCCCC2)C1,-1.4700895547866821
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617195129394531
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241753816604614
C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1423301696777344
C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.290886402130127
Cc1ccc([C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1,-1.0347453355789185
Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3751801252365112
C[NH+]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](c2ccccc2)C1,-1.0269339084625244
O=C(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2,-1.3111748695373535
[NH3+][C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9423390030860901
Cc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1,-1.1425222158432007
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccns2)CC1,-1.1454036235809326
O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0362552404403687
CC1(C)CC[C@@H](C(=O)Nc2ccnn2-c2ccccc2)C1,-1.3395155668258667
CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5302684307098389
Oc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.5317147970199585
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)on1,-1.1328648328781128
C[NH+]1CCN(c2ccc(NC(=O)N3CCC(F)CC3)cc2)CC1,-1.0327938795089722
O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccccc1,-0.908291220664978
Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.5719814300537109
O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@H]1CC[C@H](O)C1,-1.2336503267288208
Cc1ccc(N(C)C(=O)c2ccc(N3CCCCC3)cc2)cc1,-1.115590214729309
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700068473815918
O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(O)c1F,-0.9692217111587524
Cc1nccnc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-0.8491607904434204
COc1ccc(CNC(=O)c2cnc(C)[nH]2)cc1,-1.5816019773483276
O=C(Nc1ccc(F)cc1)N1CCC[NH+](C2CCOCC2)CC1,-1.3284245729446411
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.104053258895874
C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2228500843048096
Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCCC[C@H]3C2)c(C)c1,-1.072330117225647
O=C(NC1CC[NH+](C2CC[S+]([O-])CC2)CC1)c1ccccc1,-1.3053112030029297
CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4438121318817139
O=C1CCC[C@H](C(=O)NC2CCN(c3cccs3)CC2)CC1,-1.2035564184188843
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0186312198638916
Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0262477397918701
Cc1nc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2o1,-1.0199260711669922
Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](c2ccccc2)[C@@H](C)C1,-0.8139182329177856
Clc1ccc(CN2CCNCC2)cc1,-1.7175264358520508
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1cccc(F)c1,-0.9394819140434265
Nc1nc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9564772248268127
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.672196388244629
Cc1ccc(F)c(CCC(=O)NCc2cccc(Br)c2)c1,-1.1181211471557617
NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1095170974731445
COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.4288455247879028
[NH3+][C@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-1.155836820602417
O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9793496131896973
O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-n2cccn2)cc1,-1.1158684492111206
CC1CN(c2ccc(OCc3ccccc3)cc2)CCN1C,-1.3715794086456299
O=C(NC[C@@H](O)c1ccc(F)cc1)N1CCc2ccccc2C1,-1.0655990839004517
C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.3873586654663086
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2160649299621582
C[C@H](CN=C(O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1,-1.0483514070510864
CC1CCN(C(=O)NCC(=O)c2ccc(N)cc2)CC1,-1.3293081521987915
CN1C(=O)CC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2418068647384644
[NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1,-1.2226223945617676
Cc1ccc(C(=O)NCC(=O)N2CCS[C@H](C)C2)cc1,-1.236074447631836
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(Br)c1,-1.1843008995056152
COCc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6236786842346191
CCOc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1,-1.3865132331848145
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.150417685508728
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858159303665161
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2818057537078857
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1543554067611694
C[C@H]1CCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.407627820968628
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0118544101715088
CCOc1ccc(NC(=O)[C@@H]2CCOC2)cc1C,-1.620392918586731
O=C(CCC1CCCCC1)NCCOc1ccccc1,-1.6844291687011719
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1,-1.0582858324050903
Cc1ccc(C2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.1237998008728027
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0635724067687988
O=C(N[C@@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8883110880851746
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382988691329956
O=C(NC[C@H](CO)c1ccccc1)N1CCC2(CCCC2)CC1,-1.4958372116088867
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166213750839233
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.9794504642486572
Cc1ccc2scc(C(=O)NCc3cccc(Br)c3)c2c1,-0.8859891891479492
O=C(NCC[C@H]1CCOC1)Nc1ccc(Br)cc1,-1.57123863697052
Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2273545265197754
COc1cccc(CNC(=O)c2cnc(C)s2)c1,-1.4330286979675293
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3675066232681274
Cc1cc(I)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9688805937767029
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.194545030593872
O=C(NCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1,-1.035434603691101
NC(=O)N(Cc1ccccc1)c1ccccc1,-1.7022480964660645
O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)cc1F,-0.9019569158554077
C[NH+]1CCC[C@H](NC(=O)CC(=O)c2ccc(Br)cc2)C1,-1.2480016946792603
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0796958208084106
Cn1cc(NC(=O)[C@H]2CCN(c3ccc(Br)cc3)C2)cn1,-0.9957936406135559
Cc1cc(N)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0380483865737915
O=C(c1ccccc1)N1CC[NH+](CCc2ccc(O)cc2)CC1,-1.5180566310882568
O=C(NCCc1ccc(Br)cc1)c1cc(F)cc(F)c1F,-0.6730772256851196
Cc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)o1,-1.5245823860168457
COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9920602440834045
Cc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9450366497039795
Cc1nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)sc1C,-0.6105930209159851
O=C(Nc1ccc(C2CCCC2)cc1)c1cc2ccccc2s1,-1.0350110530853271
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1203919649124146
Cc1ccc(OCc2noc(-c3ccc(I)cc3C)n2)cc1,-0.8910477757453918
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2287907600402832
O=C(CCC[NH+]1CCCC1)Nc1ccc(C2CCCCC2)cc1,-1.5035851001739502
O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4760862588882446
O=C(NCC1CCCCC1)Nc1cccc(Br)c1,-1.543915867805481
O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9759666323661804
CC(C)CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2)CC1,-1.3043655157089233
Cc1nnc(SCC(=O)NCc2ccccc2)o1,-1.6186426877975464
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1906980276107788
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.921025276184082
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0384137630462646
COc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.1252555847167969
O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.9061750769615173
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[NH+](C2CCOCC2)C1,-0.8778719305992126
CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.46116042137146
COc1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1,-1.1198632717132568
Cc1ccc(C(=O)N2CCC(Cc3ccccc3N)CC2)cc1,-1.1917353868484497
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2192049026489258
Cc1ccc(CC(=O)NCc2cc3ccccc3s2)cc1,-1.2998504638671875
Cc1ccc(C[NH+]2CCN(C(=O)c3cccnc3C)CC2)cc1,-1.1493405103683472
C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.488331913948059
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-0.9904747605323792
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0520355701446533
Cc1cccc(C(=O)NCc2ccc3c(c2)CCCC3)c1,-1.2454620599746704
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)cn1,-1.0328680276870728
Cc1cccnc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1,-0.9598810076713562
O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)nc1,-0.8642227053642273
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9871217012405396
Nc1ccc(C[C@H](O)CNC(=O)c2cccc(Cl)c2)cc1,-1.3229233026504517
O=C(N[C@@H]1CCC(F)(F)C1)N1CCC[C@H]1c1ccccc1,-1.2996433973312378
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.028149127960205
NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.060930609703064
Cc1ccc(C2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1,-0.4913165867328644
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.300644874572754
Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)CC(C)O4)CC2)o1,-0.9943054914474487
Cc1ccc(-c2ccc(C)cc2OCc2ccccc2)cc1,-1.383927345275879
O=C(NC[C@H]1CC2(CCCCC2)CO1)C1CCC(O)CC1,-1.5641775131225586
Cc1cccc(CN2CCN(C(=O)c3ncccc3Cl)CC2)c1,-0.910768449306488
CC1CN(c2ccc(CNc3ccccc3)cc2)CC(C)O1,-1.5052412748336792
Oc1cccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)c1,-1.4408055543899536
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.203855037689209
CC1CC(C)CC(CN2CCN(Cc3ccccc3)CC2)C1,-1.4078866243362427
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1951441764831543
O=C(N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-1.0743706226348877
Cc1ccc(F)cc1C[NH+]1CCC[C@@H](C(=O)N2CCOCC2)C1,-1.1791125535964966
CN1CCN(c2ccc(Cl)cc2)CC1,-1.657535195350647
Cc1noc(C)c1-c1ccccc1,-1.743573546409607
COc1ncc(CNC(=O)c2ccc(N)cc2)s1,-1.4660534858703613
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccn2)C1,-1.637411117553711
CCc1ccc(-c2noc(-c3ccoc3-c3ccccc3)n2)cc1,-1.1280461549758911
COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.5150232315063477
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066393613815308
Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n[nH]1,-0.6742648482322693
COc1ccc(CC(=O)Nc2ccc(OC)cc2)cc1,-1.639411449432373
O=C(c1ccccc1)N1CC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccc1,-1.1889737844467163
O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-1.020037055015564
Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9791507124900818
c1ccc(C[C@H]2CCCN2)cc1,-1.9063564538955688
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1,-1.226529836654663
CC[C@@H](C)C(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9614107608795166
Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3053847551345825
Cc1cccc(CNc2cc(Cl)ccc2-c2ccccc2)c1,-1.1681554317474365
COc1ccc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)cc1,-1.3888366222381592
Cc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.9027507305145264
Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0359783172607422
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1,-1.445433259010315
CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4697128534317017
Cc1cccc(C[NH+]2CCCC[C@H]2Cc2ccc(F)cc2)c1,-1.4144339561462402
Cc1cccc(NC(=O)C(=O)Nc2ccc(C)nc2)c1,-1.4522435665130615
COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0641769170761108
C[C@@H]1CN(c2ccccc2)C[C@H](C)O1,-1.77829909324646
O=C(NC1CCCC1)C(=O)N1CCC[C@@H](c2ccccc2)C1,-1.5174665451049805
O=C(c1ccccc1Cl)N1CCN(Cc2cccc(F)c2)CC1,-0.947262167930603
Cc1ccc(NC(=O)C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1,-1.1338764429092407
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3864878416061401
Cc1ccc(CNC(=O)c2cc3cc(F)ccc3s2)cc1,-1.0755410194396973
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.889412522315979
Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0639997720718384
Cc1ccc(-c2ccc(F)cc2)c(NCC2CCCCC2)c1,-1.2304798364639282
Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.639546513557434
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9889746308326721
Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.7820301651954651
Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C)C2)c1,-1.4186339378356934
CN(C(=O)Nc1ccncc1)C(=O)C1CCCCC1,-1.6192817687988281
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0395182371139526
O=C(N[C@@H]1CCO[C@@H](c2ccc(O)cc2)C1)c1ccccc1F,-1.1677286624908447
Cc1ccc(-c2cc(NC(=O)c3ccn(C)n3)no2)cc1,-1.1898523569107056
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9659724235534668
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.0778539180755615
O=C(NCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1,-1.057237148284912
O=C(CCc1ccccc1)Nc1ccc(N2CCNCC2)cc1,-1.4968098402023315
COc1cccc(NC(=O)N2CCCOC3(CCOCC3)C2)c1,-1.5441129207611084
COc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.5624785423278809
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCC[NH+](C2CCCCC2)C1,-0.7532709240913391
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.156904935836792
CC(C)C1CCN(C(=O)c2cccc(N3CC[NH2+]CC3)c2)CC1,-0.9859176278114319
CC1(C)CN(C(=O)c2ccc(F)cc2)CCN1c1ccc(F)cc1,-0.7291803359985352
O=C(NCc1c(F)cccc1F)N1CCC2(CCCC2)C1,-1.0602766275405884
Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-1.0923736095428467
O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.003993272781372
Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.4657292366027832
Cc1ccc(CNc2cc(C)ccc2-c2ccccc2)cc1,-1.3111838102340698
O=C(N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1,-1.4446994066238403
O=C(Nc1ccc(N2C[C@H](O)CC2=O)cc1)c1ccccc1,-1.4050004482269287
C[C@H](NC(=O)Cc1ccc(F)cc1Br)c1ccc(Cl)cc1,-0.7907906174659729
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9342532157897949
CC1CCCN(c2cc(N)ccc2NCc2ccccc2)C1,-1.2116204500198364
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3392770290374756
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.06345534324646
O=C(c1ccccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0179736614227295
C[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3N)cc2)C1,-1.0760831832885742
O=C(N[C@@H]1CCCO[C@@H]1c1ccccc1)C1CC2(CC2)C1,-1.5241612195968628
CC1(C)CC2(CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)C2)C1,-1.0517767667770386
Nc1ccc(F)cc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9673209190368652
CC(=O)c1ccc(NC(=O)N2CC(C)NC(C)C2)cc1,-1.1687942743301392
CNC(=O)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1,-1.1829763650894165
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874294400215149
O=C(NC1CCN(c2ccc(F)c(F)c2)C1)c1cccs1,-0.9548437595367432
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8339968919754028
CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.506319522857666
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0694713592529297
Cc1nc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C3)cc2)no1,-1.115752100944519
Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.3076564073562622
C[C@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCN(C)CC1,-0.9745298624038696
O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.763053834438324
Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ncccc12,-0.4649476110935211
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1113922595977783
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.240074872970581
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.188396692276001
Cc1ccc(O)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.186650037765503
Cc1cc(F)c(Br)cc1NC(=O)c1ccc(C(C)C)cc1,-0.5850768685340881
O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9556178450584412
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0129334926605225
O=C(Nc1ccc(Br)cn1)c1ccc(CC(F)(F)F)cc1,-0.9457278251647949
NCCCOc1ccc(C(=O)Nc2ccccc2)cc1,-1.6718274354934692
Cc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C,-1.585595965385437
Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)o1,-1.253732681274414
Cc1ccc(CNC(=O)CCc2ccc(Cl)cc2F)nc1,-1.0118043422698975
Cc1cc(N)ccc1NC(=O)c1cc(C(C)C)ccc1F,-0.7728122472763062
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.8550831079483032
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9974039793014526
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.5264873504638672
Cc1ccc(OCC(=O)N2CCCC(C(O)=NC3CCCC3)C2)cc1,-1.1745144128799438
Cc1ccc(C(=O)N2CCC(C[NH+]3CCCCC3)CC2)c(C)c1,-1.0911587476730347
Fc1ccc(-c2noc(COc3ccc(F)cc3F)n2)cc1,-0.9044437408447266
O=C(N[C@@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(Cl)cc1,-1.0128562450408936
O=C(NC[C@H]1CCCCO1)Nc1ccc(Br)cc1,-1.5742567777633667
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0715713500976562
Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1,-1.2155805826187134
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1965423822402954
O=C(NCc1ccc(O)cc1)c1cc2cc(F)ccc2[nH]1,-1.153596043586731
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4445499181747437
O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2o1,-1.2189443111419678
C[C@@H]1CCCCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)C1,-1.2620693445205688
Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9741150736808777
O=C(CN1CCCCC1=O)NCc1ccc(F)c(F)c1,-1.1307495832443237
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5500893592834473
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1I,-0.8383551836013794
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.166430115699768
C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.640700101852417
CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.6327353715896606
C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-0.9635155200958252
C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2695751190185547
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1964433193206787
Cc1nc(C)c(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)s1,-0.7575696110725403
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.975303590297699
C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1113837957382202
CC(C)C(C)(C)NC(=O)N1CCO[C@H](c2ccccc2)C1,-1.4097228050231934
Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3s2)cc1,-0.9326804876327515
Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1,-0.9136742353439331
Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.46582260727882385
O=C(Cc1ccccc1F)Nc1ccc(N2CCCCC2)cc1,-1.2658387422561646
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2718682289123535
Cc1ccc(C)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-1.0494581460952759
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758648872375488
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,-1.045760154724121
Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1833053827285767
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.0913763046264648
CC[NH+]1CCC[C@@H](CNC(=O)c2cc(Br)no2)C1,-1.3322466611862183
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.372157335281372
O=C(C[C@H]1CCOc2ccccc21)Nc1ccn(-c2ccc(Cl)cc2)n1,-0.8071944117546082
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8676143288612366
Cn1cc(NC(=O)c2cccs2)c(-c2ccc(O)cc2)n1,-1.1220861673355103
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3587019443511963
Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)sc2c1,-1.012916088104248
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1304513216018677
Cc1cccc(NC(=O)C(=O)N2CCC3(CC[NH+](C)CC3)C2)c1,-1.2842097282409668
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.194507360458374
O=C(Cc1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1,-1.2539504766464233
Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0465984344482422
Cc1cc(NCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.036242961883545
O=C(NCc1nc2ccccc2s1)c1ccc(Br)c(F)c1,-0.6389305591583252
N#Cc1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1,-1.221710443496704
Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(F)c1,-1.0515860319137573
CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2159596681594849
C[C@@H]1OC2(CCCCC2)C[C@@H]1C(=O)NCc1ccccn1,-1.5437296628952026
CCC(=O)N1CCN(Cc2ccc(-c3cc[nH+]cc3)cc2)CC1,-1.4990954399108887
Fc1ccc(COc2ccc(N3CCNCC3)cc2)cc1Cl,-1.053108811378479
Cc1noc2ccc(C(=O)NCc3cccc(Cl)c3)cc12,-0.9602747559547424
CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9028650522232056
c1ccc2oc(CN3CC[NH+](CC[NH+]4CCOCC4)CC3)cc2c1,-1.462090015411377
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858080625534058
Nc1cccc(NC(=O)C2CCN(c3ccccc3)C2=O)c1,-1.1771036386489868
CCN1CCN(c2ccc(CNC(C)C)cc2)CC1,-1.4854211807250977
Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0982226133346558
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.995246410369873
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3430017232894897
O=C(c1ccc(F)nc1)N1CCN(CCc2ccccc2)CC1,-1.2222764492034912
Cc1nc(NCc2ccc(O)cc2)cc(-c2ccccc2)n1,-1.088782548904419
Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0695326328277588
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.113337516784668
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3020834922790527
O=C(C(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1,-1.475536823272705
CCCCCCCCCC1CCN(C(=O)Oc2ccc(F)cc2)CC1,-1.4852076768875122
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8923662900924683
Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)n[nH]1,-0.9362396597862244
O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2s1,-1.163217306137085
CC(C)C[NH+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2,-1.084009051322937
O=C(NCCCC(F)(F)F)C1(c2ccc(F)cc2)CCC1,-1.1478068828582764
CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(F)(F)F,-1.2489033937454224
O=C(c1ccc(F)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.4628287553787231
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.0948290824890137
Fc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2648142576217651
O=C(c1ccc(Br)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8727082014083862
COc1ccc(CNC(=O)c2coc(C)n2)cc1,-1.6104989051818848
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.1061738729476929
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-1.1019059419631958
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1412283182144165
O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC12CCOCC2,-1.4835244417190552
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.311161994934082
C[NH+]1CCN(c2ccc(CNc3ccc(F)cn3)cc2)CC1,-1.1509130001068115
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0878595113754272
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915170669555664
C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3492940664291382
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(F)cc1,-0.9966397285461426
O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cn2)CC1,-0.8709284663200378
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823118925094604
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.015231728553772
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0634208917617798
Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C)o1,-1.6104867458343506
Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.9654824733734131
Cc1ccc(CC(=O)NCc2noc3ccccc23)cc1,-1.3160518407821655
CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.8057913184165955
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2268520593643188
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004234790802002
Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5042470693588257
c1ccc([C@@H]2CCCN2c2ccc(C[NH+]3CCOCC3)cc2)cc1,-1.3732224702835083
Nc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1,-1.127605676651001
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5089236497879028
Cc1ccc(OCCN2CCN(C(=O)C(C)C)CC2)cc1,-1.4424822330474854
C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)C1,-1.0851603746414185
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1925266981124878
N#Cc1ccc(NCc2ccc(-c3ccccc3)cc2Cl)cc1,-1.0894418954849243
O=C(Nc1ccc(Cl)cc1F)c1cccc(-c2ccccc2)c1,-0.972672164440155
O=C(NCc1cccc(F)c1)c1cc2ccc(Cl)cc2o1,-1.0448421239852905
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636526584625244
Cc1ccc(CC(=O)N[C@H]2CCOC[C@H]2c2ccccc2)cc1,-1.4672092199325562
C[NH+]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)C1,-1.2244493961334229
Cc1noc(CNC(=O)Cc2ccc(C)c(Br)c2)n1,-1.0840766429901123
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1,-0.9019514918327332
O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(CC(F)(F)F)cc1,-1.0225952863693237
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400238990783691
CC(C)(F)C(=O)NCc1ccc(N2CCCC2=O)cc1,-1.263500690460205
Cc1cc(F)ccc1C(=O)NCC[NH+]1C[C@@H](C)O[C@@H](C)C1,-1.2778730392456055
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.3539093732833862
O=C([O-])[C@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)C1,-0.8943948149681091
COc1ccc(COC(=O)c2cnc(C)s2)cc1,-1.5159050226211548
CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.225071907043457
O=C(N[C@@H]1CCO[C@H]1c1ccc(F)cc1)N1CC[C@H](O)C1,-1.3162715435028076
c1ccc(N2CCC(CN3CC[C@H]([NH+]4CCCCC4)C3)CC2)cc1,-1.4558868408203125
Cc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)no1,-1.071565866470337
O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1,-1.0468195676803589
Cc1ccc(NC(=O)[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.164238452911377
O=C(Nc1ccc(-c2ccco2)cc1)c1c[nH+]c2ccccn12,-1.2251274585723877
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.8559699058532715
COc1ccc(CNC(=O)c2cc(Cl)no2)cc1,-1.5814261436462402
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.030784010887146
Cc1nc2c(s1)C[NH+](CC(=O)NCc1ccccc1)CC2,-1.0866190195083618
Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1754168272018433
C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0373612642288208
COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.0926663875579834
CCn1nccc1C(=O)NCc1ccc(N)cc1,-1.4655733108520508
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1,-1.0901963710784912
O=C(NCc1cccc(Br)c1)N1CCOC2(CCCC2)C1,-1.4720572233200073
O=C1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1,-1.5053497552871704
CC(C)[C@@H](NC(=O)Cc1cccc(N)c1)c1ccccc1,-1.3965167999267578
Cc1ccccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2,-1.184678316116333
Nc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1,-1.3323291540145874
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.2370021343231201
O=C(N[C@@H]1CCN(c2ccccc2)C1O)c1ccc(O)cc1,-1.4262430667877197
Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9725437760353088
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0081262588500977
Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2,-0.49281543493270874
[NH3+][C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1682828664779663
CCc1ccccc1N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1053924560546875
Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cn1,-1.3021162748336792
Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.5151945352554321
C[NH+]1CCN(c2ccc(C(=O)NCCCC(=O)[O-])cc2)CC1,-1.347275972366333
Fc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.2109816074371338
O=C(Nc1ncccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.7975698709487915
CC(C)CCOC(=O)c1cn(C)nc1-c1ccc(F)cc1,-1.1139400005340576
C[C@@H]1CCCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1,-1.2678898572921753
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2420017719268799
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1798566579818726
Cc1cc(Br)ccc1NC(=O)c1cccc(C(F)(F)F)c1,-0.8108959197998047
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9557269811630249
COc1cccc(C(=O)NC[C@H]2CC23CCC3)c1,-1.6163948774337769
CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1835988759994507
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-0.9744274020195007
C[C@@H]1C[NH+](Cc2cccc(O)c2)CCN1Cc1ccccc1,-1.4916706085205078
CC(C)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.0441473722457886
CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1,-1.5743850469589233
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4896591901779175
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8848012089729309
O=C(Nc1cccc(Cl)c1O)N1CCN(c2ccccc2)CC1,-0.9916703701019287
O=C(NCc1ccccc1)NC1CCCC(O)C1,-1.6801784038543701
Clc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.0995113849639893
Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cn1,-1.2636795043945312
CC1CC[NH+](C2CCN(C(=O)Nc3ncccc3F)CC2)CC1,-0.9279903173446655
NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0736684799194336
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3788986206054688
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0387375354766846
O=C(c1ccc([O-])cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-1.0249170064926147
Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0683976411819458
CC1(C)CC[C@@H]1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1,-0.9041880965232849
O=C1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.964891791343689
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9423319101333618
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6877447962760925
C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(F)c3)CC2)C[C@@H](C)O1,-1.0470116138458252
Cc1nc(C2CC[NH+]([C@@H](C)C(=O)N3CCc4ccccc4C3)CC2)no1,-0.5579016208648682
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.4084813594818115
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2047643661499023
O=C(C[C@H]1Cc2ccccc2O1)NCc1ccc(F)cc1,-1.455662727355957
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5009922981262207
O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(Cl)cc1,-0.9687307476997375
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067052602767944
Cc1cnc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.41809213161468506
Cc1ccc(N2CC[NH+](CC(=O)NCCC(=O)[O-])CC2)cc1,-1.4645487070083618
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F,-1.0395746231079102
Cc1ccc([C@@H]2CCCN(C(=O)NCC(C)(C)O)C2)cc1,-1.550466537475586
O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6763229370117188
Cc1cc(C(=O)N2CC[NH+](C)C[C@@H](C)C2)nn1-c1ccc(F)cc1,-0.5972203612327576
CC(C)(O)C(=O)N[C@H]1CCCN1C(=O)C1CCCCC1,-1.4668006896972656
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.211979627609253
Cc1ncccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-0.8356350064277649
Cn1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cn1,-0.9337877035140991
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(O)c1,-1.2089979648590088
Oc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.4867888689041138
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.44852614402771
Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4273817539215088
CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3075896501541138
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1889357566833496
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.149320363998413
Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.082215428352356
Fc1ccc(OCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.175893783569336
c1ccc(-c2nnc(COCC3CCCC3)s2)cc1,-1.5434097051620483
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc([O-])cc1,-1.3246818780899048
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2147186994552612
O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5270532965660095
Cc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1,-1.4101028442382812
O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]1c1ccccc1Cl,-0.8570917248725891
Cc1nn(C)c2ccc(C(=O)NCc3ccccc3)cc12,-1.0116331577301025
[NH3+]c1ccccc1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0835375785827637
Cc1cc(-c2ccccc2)nc(NCc2ccc(Br)cc2)n1,-0.9015657305717468
O=C(CCc1ccccc1)N1CCN(CC2CCCCC2)CC1,-1.5080348253250122
O=CN[C@H]1CCN(c2ccc(F)cc2)C1,-1.7439364194869995
O=C(N[C@H]1C[C@H]1C1CCOCC1)N1CC[C@H](c2ccccc2)C1,-1.3990042209625244
Cc1ccc(OCC(=O)N2CCCC2C(O)=Nc2ccccc2)cc1,-1.404499888420105
Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.1292998790740967
CC(N=C(O)CNC(=O)c1ccccc1)c1ccc(F)cc1,-1.3444023132324219
O=C(NCc1ccc(Br)cc1)NC1CCCCC1,-1.5476495027542114
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749897956848145
N#CCNC(=O)c1ccc(Cc2ccccc2)cc1,-1.6131926774978638
O=C(NCc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1,-1.0023447275161743
Fc1ccc(C[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.3676564693450928
O=C(CN=C(O)c1ccc(Cl)c(Cl)c1)NCc1ccc(Br)cc1,-0.8304334282875061
CC1(C)CC[C@@H](NC(=O)CSc2ccc(Br)cc2)C1,-1.288835048675537
CC(C)(C)c1ccccc1C(=O)Nc1ccc(Br)cc1Cl,-0.7349968552589417
C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCO1,-1.4806923866271973
O=C(N[C@H]1CC[NH2+]C[C@@H]1O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0190645456314087
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br,-1.077616572380066
C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)C[C@@]1(C)c1ccc(F)cc1,-0.8087734580039978
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9960414171218872
C[C@@H](CC(=O)Nc1nnc(-c2ccccc2)s1)N1CCOCC1,-1.1194477081298828
O=C(NCc1ccc(Cl)c(F)c1)c1ccc2nc[nH]c2c1,-0.9099394083023071
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5289902687072754
C[C@H]1CCCC[NH+]1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9156931042671204
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1,-1.3083205223083496
Fc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.194737434387207
CN1CC(c2ccc(OCC3CCCCC3)cc2)CC1=O,-1.5361827611923218
C[C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[C@H](C)C2)C1,-1.276511311531067
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617172479629517
Cc1[nH]c(C(=O)Nc2ccccc2-c2noc(C)n2)c[nH+]1,-1.1033775806427002
OC1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,-1.5511730909347534
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.877386748790741
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2290996313095093
Cc1cc(Br)ccc1CCNC(=O)N[C@H]1C[C@H]1C,-1.1790525913238525
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3431700468063354
COc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-1.0967938899993896
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.03359854221344
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3285634517669678
COc1ccc(C)cc1OCC(=O)NC(C)=O,-1.6674020290374756
O=C(CCCC(=O)c1ccccc1)NCc1ccc(Cl)cc1,-1.491108775138855
C[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1,-1.5166585445404053
Cc1ccc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2c1,-0.6966113448143005
CCOc1ccccc1CN1CCN(C(C)C)CC1,-1.5991249084472656
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1431097984313965
Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.0470815896987915
C[NH+]1CCN(C2CC(NC(=O)c3ccc(F)cc3)C2)CC1,-1.0558401346206665
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(O)c1,-1.1518678665161133
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0780420303344727
O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4252783060073853
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1Cl,-1.00857412815094
CN1CCN(C2CCC(NCc3ccc(Br)cc3)CC2)CC1,-1.0386073589324951
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1I,-0.9075562357902527
C[NH+]1CCN(CC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3135745525360107
O=C(COc1ccc(Br)cc1Br)NC1CC(F)(F)C1,-0.9582974910736084
O=C(N[C@H]1CCN(c2ccccc2F)C1)c1ccc(F)cc1Cl,-0.6494173407554626
O=C(c1ccc2cc(F)ccc2c1)N1CCC[C@H](c2cccc(F)c2)C1,-0.5764889717102051
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4483939409255981
Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)s1,-1.009200096130371
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3234483003616333
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.1407582759857178
CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCS[C@@H](C)C1,-0.85762619972229
O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.4903753995895386
Cc1ccc(CC(=O)NCc2ccc3[nH]ccc3c2)cc1,-1.4107807874679565
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3O)cc2)CC1,-1.1715400218963623
c1ccc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1,-1.2701735496520996
O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1,-1.338991641998291
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C3CCOCC3)C2)c(O)c1,-1.2658976316452026
Nc1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc1,-1.2775758504867554
CC(=O)NC1CCN(C(=O)c2cc(C)cc(C)c2)CC1,-1.184161901473999
CC[C@H](C)C(=O)N1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1C,-0.9665063619613647
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2169673442840576
O=C(CCc1ccc(Br)cc1)NCCc1ccc(F)cc1,-1.4212311506271362
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCCC2=O)cc1,-1.2139899730682373
Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CC[NH+](C)[C@H](C)C1,-0.47061219811439514
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.078716516494751
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.112480878829956
Cc1cc(C(=O)Nc2nnc(-c3ccc(O)cc3)s2)n[nH]1,-0.8536968231201172
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.07078218460083
CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CCO1,-1.1790709495544434
CCc1[nH]cnc1C(=O)NCc1ccc(C)nc1,-1.3320419788360596
C[C@H]1C[C@H](C(=O)[O-])[NH+](Cc2ccc(-c3nn[n-]n3)cc2)C1,-1.0070092678070068
NC(=O)C1CCN(C(=O)N2CC[C@H](c3ccccc3)C2)CC1,-1.1218565702438354
O=C(NCc1ccccc1F)c1ccc2c(c1)CCCN2,-1.0311199426651
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636258363723755
Cc1cccc(CNC(=O)[C@H]([NH3+])Cc2ccc(Br)cc2)c1,-1.2948615550994873
O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2422624826431274
CN1CC(NCc2ccc(-c3ccccc3)cc2)CC1=O,-1.4413491487503052
Cc1ccc(CC(=O)NC2CCCC(c3ccc(F)cc3)C2)cc1,-1.0805741548538208
Cc1ccc(N2CCC(NC(=O)N3CCCCCC3)CC2)cc1,-1.3063322305679321
Cc1ccccc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.1020150184631348
Cc1cc(N)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-1.0303664207458496
Fc1ccc2[nH]c(-c3ccc4c(c3)C[NH+](Cc3ccccc3)CC4)nc2c1,-0.5221425890922546
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.3465373516082764
O=C(NCc1ccc(O)cc1)c1cc2cc(Br)ccc2o1,-1.1236697435379028
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6714386940002441
C[C@@H]1CCC[C@H](C(=O)NCC2CCC3(CCCO3)CC2)C1,-1.5783694982528687
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0818051099777222
Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9632112979888916
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4744069576263428
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1,-1.4780648946762085
C[C@@H]1CN(c2ccccc2OCc2ccccc2)C[C@@H](C)N1,-1.2886964082717896
O=C(Nc1ccc(O)c(-c2ccccc2)c1)c1ccc(F)cc1,-1.1291043758392334
CC1CCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1,-1.263078212738037
[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,-0.9647475481033325
O=C(COCc1ccccc1)Nc1ccccc1,-1.7469786405563354
C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0929945707321167
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.245714783668518
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0325649976730347
CC(C)C[C@@H](O)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-1.3687067031860352
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9035991430282593
Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)c1,-1.3760156631469727
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199463367462158
O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@H]1c1ccccc1,-0.8537804484367371
O=C(Nc1ccccc1Cl)N1CCC([NH+]2CCC[C@H](O)C2)CC1,-1.007778525352478
Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.935298502445221
O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.3409839868545532
c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.251861810684204
O=C(N[C@H]1CC12CCCC2)N1CCC[C@@H](c2ccccc2F)C1,-1.003828763961792
O=C(NCC[NH+]1CCCC1)NC1CCC(O)CC1,-1.6702159643173218
OC1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.281064510345459
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3280587196350098
CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1,-0.9179061055183411
Cc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.1702769994735718
O=C(NCCc1ccccc1Br)N[C@@H]1CCCC[C@H]1O,-1.3995870351791382
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112812042236328
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1914610862731934
Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2s1,-0.8596579432487488
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)CC2)cc1,-1.3279492855072021
Cc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)c(Cl)c1,-0.9526591897010803
O=C(Nc1ccccc1I)N1CCN(c2ccc(Cl)cc2)CC1,-0.8001985549926758
Cc1ccc(-c2cc(O)nc(NCc3ccccc3)n2)cc1,-1.133196234703064
O=C(CN1CCCCC1=O)Nc1ccn(-c2ccccc2)n1,-1.384781002998352
COCc1cccc(NC(=O)N2CCC([NH3+])C2)c1,-1.621425747871399
O=C(c1ccco1)N1CCC2(C1)CN2Cc1ccccc1,-1.5390655994415283
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.096146583557129
O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826531767845154
Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(Br)cc2)cc1,-1.3321245908737183
Cc1nnc(N2CC[C@@H](NC(=O)c3cccc(Cl)c3)C2)s1,-0.7413342595100403
Nc1cc(Br)ccc1C(=O)NCCc1ccc(F)c(F)c1,-0.7414928674697876
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.2122294902801514
CC(C)[C@H](C)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-0.8392449021339417
O=C(COc1ccccc1)Nc1c[nH]c2ccc(F)cc12,-1.5325548648834229
Nc1ccc(-c2ccc(NCc3ccc(F)cc3)nc2)cc1,-1.2534772157669067
Cc1ccc(N2CCN(C(=O)Nc3ncccc3Cl)CC2)cc1,-0.9611040353775024
Cc1ccccc1NC(=O)C[NH+]1CCC[C@@H](c2ccccc2)C1,-1.386792778968811
c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.4068230390548706
Cc1ccc(C(=O)N2C(=O)N(c3ccc(Cl)cc3)C[C@H]2C)cc1,-0.8426132798194885
c1ccc(COc2ccc3ncc(-c4ccccc4)nc3c2)cc1,-1.0542017221450806
c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1,-1.2374151945114136
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8391105532646179
O=C(NC1CCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1,-1.00442636013031
C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.202662706375122
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2S)CC1,-0.9552425146102905
C[C@@H]1CO[C@H](c2ccc(Cl)cc2)CN1C(=O)NC(C)(C)C,-1.0082169771194458
Cc1ccc(F)c(N2CCC(NC(=O)C3CCOCC3)CC2)c1,-1.0334320068359375
O=C(Nc1ccc(Br)cc1)C(O)=Nc1ccccc1-c1ccccc1,-1.00298011302948
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45956194400787354
CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4385957717895508
Cc1ccc(NCc2ccc(O)cc2)c(-c2ccccc2)c1,-1.3434191942214966
Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.1756196022033691
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208289623260498
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0707979202270508
CC1(C)C[NH+](Cc2ccccc2)CCN1Cc1ccccc1,-1.5319668054580688
O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0440161228179932
Cc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.005845546722412
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.8918688893318176
C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[NH+]1CCCCC1,-1.0389254093170166
O=C(N[C@H]1CC12CCC2)N1CC[NH+](C2CCOCC2)CC1,-1.4438326358795166
Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0567538738250732
O=C(c1ccc(O)c2ncccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5227953195571899
C[C@H](NC(=O)CCc1ccc(O)cc1)c1ccc(Br)nc1,-1.3203448057174683
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1,-1.1369367837905884
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.445604681968689
Cc1ccccc1NC(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.9286270141601562
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2795720100402832
COc1ccc(CC(=O)N2CCC(C(O)=NC3CCCC3)CC2)cc1,-1.1342180967330933
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8760439157485962
O=C(Cc1ccc(F)cc1)NCC(=O)c1ccccc1,-1.5689494609832764
Clc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.2919421195983887
NC(=O)c1ccc(N2CCOCC2)cc1,-1.7251027822494507
Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cl)cn3)C2)cc1,-0.8760976791381836
Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.3917218446731567
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4328807592391968
O=C(CCCCc1ccccc1)N[C@H]1CCc2ccccc2C1,-1.486453652381897
O=C1C[C@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)CCN1,-1.30510413646698
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9932432770729065
Cc1ccc(NC(=O)OCc2ccccc2)cc1,-1.6980773210525513
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.030579686164856
CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccc(Br)cc1,-1.2092429399490356
O=C(C1CCCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,-1.0776416063308716
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9584112167358398
Cc1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1O,-0.9508297443389893
c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.2696446180343628
Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2c2ccccc2)c(O)c1,-1.338063359260559
Cc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1,-1.286832571029663
O=C(NC1CCCCCC1)N1CCC(c2ccc(F)cc2)CC1,-1.1731884479522705
O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0047590732574463
C[C@H]1CCc2sc(C(=O)NCC[C@H]3CCCCO3)cc2C1,-1.100849986076355
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0535483360290527
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114354372024536
C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1,-1.293290615081787
Cc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1,-1.1872659921646118
O=C(Cc1ccc(O)cc1F)NCc1ccc(F)c(Cl)c1,-0.9115263223648071
O=C(N[C@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9604223370552063
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.5170639753341675
CCC1(O)CC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)CC1,-1.1381592750549316
[NH3+]CCCc1ccc(C(=O)NCC2CCOCC2)cc1,-1.6066573858261108
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)NCc2ccccc2)C1,-1.4403598308563232
Cn1nccc1NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1,-0.553086519241333
O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5495104789733887
CC(=O)Nc1ccccc1OCc1ccccc1,-1.6859064102172852
O=C(N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1O,-1.1713062524795532
O=C(c1ccccc1Cl)N1CCC(Cc2ccc(O)cc2)CC1,-1.0298799276351929
CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4393011331558228
O=C(NCc1cccc(Br)c1)N1CCC2(CCOCC2)C1,-1.4634504318237305
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.13827645778656
COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C)CC1,-1.5350040197372437
C[C@H]1CCCCN(Cc2ccccc2)C1,-1.7763010263442993
O=C(NC1CCN(C(=O)CCCF)CC1)c1cccc(Cl)c1,-1.2219579219818115
C[C@@H]1CCN(c2ccc(NC(=O)c3ccccn3)cc2)C1=O,-1.10952627658844
O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1,-0.8323050141334534
C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.104663372039795
Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1332200765609741
O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2850322723388672
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9520103335380554
Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9582538604736328
CC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1,-1.272237777709961
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238930344581604
O=C(N[C@H]1CCC[C@H](O)C1)N1CCN(c2cccc(Cl)c2)CC1,-1.0146034955978394
O=C(NC[C@@H]1CCCCO1)C(=O)N1CCOc2ccccc21,-1.422640323638916
Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9559202194213867
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)nc2)C1,-1.0868583917617798
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172471165657043
O=C(Nc1ccc(Br)cc1)[C@H]1CCC[NH+](CC(F)(F)F)C1,-0.9792042374610901
C[C@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.3963884115219116
O=C(Nc1ccc(F)c(-c2ccccc2)c1)c1ccc(Cl)cc1,-0.9808473587036133
O=C(NCc1cccc(F)c1)c1cc2ccc(F)cc2s1,-0.9272021055221558
CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2)C1,-1.2722331285476685
Cc1ccc(N2CC[C@@H](C(=O)Nc3cnn(C)c3)C2)cc1,-1.1966239213943481
CN1CCN(C2CCN(C(=O)Nc3ccccc3)CC2)C1=O,-1.190026879310608
C[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.063015341758728
Clc1cc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.792385995388031
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.1226260662078857
Cc1ccc2cc(CNC(=O)Cc3ccccc3)[nH]c2c1,-1.4527859687805176
Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1,-1.4338693618774414
Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.156512975692749
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1796321868896484
C[C@@H](CC(=O)NCc1ccc(O)cc1)c1cccc(Br)c1,-1.321183204650879
Cc1cccc(NCC(=O)NCC(O)=NC(C)(C)C)c1,-1.5612473487854004
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0238051414489746
Cc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9383376240730286
O=C(c1ccc(F)cc1Br)N1CC[NH+](CC2CCCCC2)CC1,-0.7645304799079895
O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,-0.8758975863456726
Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0836663246154785
C[NH+]1CC[C@@]2(COCCN(C(=O)Nc3ccc4c(c3)CCC4)C2)C1,-1.2073967456817627
Oc1cc(O)nc(-c2ccc(COc3ccccc3)cc2)n1,-1.2676883935928345
O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2F)CC1,-0.9614436030387878
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5759152173995972
O=C(c1cccc(Cl)c1F)N1CCN(Cc2ccccc2)CC1,-0.9256836175918579
Cc1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cs1,-0.9850741028785706
C[NH+]1CCC[C@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.611092448234558
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.006667137145996
Cc1nc(C)c2ccccc2c1C(=O)N1CCN(c2ccccc2)CC1,-0.44850459694862366
Cc1ccc(-n2nccc2NC(=O)N2CCC(C)C2)cc1,-1.2384806871414185
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.961715042591095
Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.527644395828247
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5089236497879028
O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.3464401960372925
COCCNC1CCN(Cc2cccc(F)c2)CC1,-1.6495262384414673
CC[C@@H](F)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.1078509092330933
O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2Cl)CC1,-0.9481541514396667
Cc1ccc(CNC(=O)Cc2cc3ccccc3o2)cc1,-1.5650951862335205
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0295130014419556
Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.1876469850540161
CCCCCc1noc(-c2ccc(CN3CC[NH+](C)CC3)cc2)n1,-1.1719729900360107
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1914398670196533
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2cnoc2c1,-1.1019105911254883
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671305656433105
O=C(Nc1cccc(N2CCCC2)c1)c1cc2ccccc2[nH]1,-1.159354567527771
O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,-0.9394474625587463
Cc1cccnc1NC(=O)NCCC[NH+]1CCOCC1,-1.5868803262710571
Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.341202974319458
Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2c2ccc(Br)cc2)cc1,-0.9859525561332703
Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)nc1,-1.063509464263916
O=C1CCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-1.003171682357788
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272230625152588
Cc1ccc(Br)cc1NC(=O)CCC(=O)Nc1ccccc1,-1.3309378623962402
C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9710569381713867
O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4008985757827759
Nc1cnc(NCc2ccc(Br)cc2)c(-c2ccccc2)n1,-0.8325404524803162
Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1,-1.4679923057556152
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9532251358032227
CC(C)C(C)(C)NC(=O)c1cccc(N2CCOCC2)c1,-1.3117402791976929
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1433764696121216
O=C(CCC1CCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4449427127838135
O=C(NCc1ccc(F)cc1)C1=NC1c1ccccc1,-1.395254135131836
CCCCOc1ccc(NC(=O)C2CCCOC2)cc1,-1.6350898742675781
O=C(NCCc1cccc(F)c1)N1CCC2(CCCC2)C1,-1.520404577255249
Nc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.0189002752304077
Cn1ccc(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)n1,-1.005158543586731
O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8704881072044373
Cc1nc(-c2ccc(CNCC(O)=NC(C)C)cc2)no1,-1.2309635877609253
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.622511386871338
CC[NH+]1CCCC[C@@H]1C(=O)NCc1coc(C)n1,-1.5173310041427612
O=C1CCc2cc(NC(=O)c3ccc4c(c3)CCC4)ccc2N1,-0.8386972546577454
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.9903075695037842
O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(F)cc1,-1.0261605978012085
CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.308982253074646
Cc1ccc(-c2nn(C)cc2NC(=O)c2ccccc2)o1,-1.2351093292236328
C[C@@H]1CN(c2cccc(F)c2)CC[C@@H]1NC(=O)C1CCCCC1,-0.9389507174491882
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6987197399139404
CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.5288804769515991
O=C(NCc1ccccc1)Nc1ccc(Cl)nc1,-1.5914044380187988
Cc1nc(-c2ccc(C(=O)N[C@H]3CCCCC[C@@H]3[NH3+])cc2)n[nH]1,-0.7999663352966309
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6977230310440063
CC[C@@H](N)C(=O)NCc1ccc(-c2ccc(O)cc2)cc1,-1.3466299772262573
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.139762043952942
Cc1ccc(CC(C)NCc2ccccc2Cl)cc1,-1.399249792098999
Cc1ccc(C[C@H](O)CNC(=O)c2cccc(Br)c2)cc1,-1.364774227142334
Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1,-1.1123050451278687
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.3992904424667358
COc1ccc(NCc2cc(I)ccc2OC)cc1,-1.4031211137771606
CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.254325270652771
Cc1occc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.3107991218566895
Oc1ccc(-c2ccccc2)c(COc2ccc(Cl)cc2)c1,-1.2653144598007202
CN(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.099292278289795
Cc1cc(F)ccc1C(=O)NC[C@@H](O)c1cccc(F)c1,-1.0818955898284912
O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCc1ccccc1,-1.127942681312561
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0805007219314575
Cc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1,-1.3858128786087036
O=C(N[C@@H]1CCO[C@H]1C1CCCCC1)N1CC[NH+]2CCC[C@@H]2C1,-1.1059013605117798
Cc1ccc(C)c(C2CCN(C(=O)Nc3ccccc3)CC2)c1,-1.1180814504623413
Oc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.4852628707885742
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9842612147331238
CC(C)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccccc1,-0.8976061940193176
Nc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3)CC2)cc1,-1.2680773735046387
O=C(Nc1ccc(-c2ccccc2F)cc1)c1cccc(O)n1,-1.0292953252792358
Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.499222993850708
Nc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0853698253631592
NC(=O)c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1,-1.0369070768356323
CC[NH+]1CCN(C(=O)C2CCN(c3ccc(C)cc3)CC2)CC1,-1.174892544746399
O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.0079843997955322
C[C@@H]1C[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1,-1.5163683891296387
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.379516363143921
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.3450382947921753
CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.3909623622894287
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4966036081314087
O=C(NC1CCN(c2cccc(F)c2F)CC1)[C@H]1CCCCO1,-0.8968310356140137
Cc1scnc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-0.8962575197219849
Cc1ccc(NC(=O)c2ccccc2)c(C)c1,-1.6314371824264526
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.9701934456825256
O=C(NCc1coc2cc(Cl)ccc12)c1ccc(Cl)cc1,-0.9019601941108704
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9531340599060059
Fc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.1244057416915894
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)n1,-1.0021512508392334
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br,-0.7907248139381409
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc1,-1.1628378629684448
Cc1cc(F)ccc1C[NH+]1CCC[C@H](C(=O)N2CCOCC2)C1,-1.0856707096099854
Cn1cc([C@@H]2CCCCN2C(=O)N[C@@H]2CC23CCC3)cn1,-1.0607705116271973
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-1.0355738401412964
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.0331827402114868
O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.9633729457855225
Cc1cccc(CNC(=O)c2cc3ccc(F)cc3[nH]2)c1,-1.223025918006897
Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0334746837615967
Cc1ccc(-c2ccccc2NCc2ccc(Cl)cc2)cc1,-1.1639833450317383
Cc1cccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc12,-0.5839707851409912
CC1(O)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1,-1.5556892156600952
COc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1Br,-1.0194820165634155
Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1,-1.0353684425354004
O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2540229558944702
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565160512924194
Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1014255285263062
C[NH+]1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-0.9994513988494873
CC1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1716773509979248
O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.9244186282157898
Cc1cccnc1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9171019792556763
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526840925216675
CC1CCC(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)CC1,-1.3870447874069214
CCC1CC(NCC2(c3ccccc3)CC2)CCO1,-1.6825175285339355
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)cc1)[C@H]1CC12CCC2,-1.2075749635696411
CC1(C)CC[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)C1,-1.2327414751052856
COc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.5104906558990479
C[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](CCc3ccccc3)C2)C1,-1.3544200658798218
C[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-1.0387043952941895
O=C(NC1CCOCC1)N1CCC[C@H](c2ccc(F)cc2)CC1,-1.3842198848724365
O=C(Cc1cccnc1)N1CCN(C(=O)c2ccccc2F)CC1,-1.0250799655914307
O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9665098190307617
[NH3+][C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9287167191505432
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4617246389389038
O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,-0.9592804312705994
Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0647618770599365
O=C(c1ccccc1F)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9286031723022461
c1ccc(Cc2nc(C[NH+]3CCC4(CCCC4)C3)no2)cc1,-1.4999620914459229
CCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1,-1.4842175245285034
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9978256821632385
O=C(Nc1ccccc1CC(F)(F)F)c1ccc(F)nc1,-0.9489047527313232
CCC(C)(C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1,-1.3765366077423096
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1,-0.9244310855865479
O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318694233894348
CC[C@H](C)C(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1,-0.29223427176475525
C[C@H]1CCCC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1,-1.4351807832717896
Cc1ccccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1,-0.9473764896392822
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)o2)CC1,-1.2590806484222412
CC[C@H]1CCCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)C1,-1.0568543672561646
O=C(Nc1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8737887144088745
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.0909004211425781
CC(=O)N1CCC[C@H](NC(=O)N2CCc3ccccc3C2)C1,-1.180627703666687
C[NH+]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)cc2)C1,-1.2988988161087036
Cc1cccc(C2(C(=O)Nc3ccc(N)cc3)COC2)c1,-1.4730467796325684
O=C1CCC(NC(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.4133176803588867
CC(c1ccccc1)N1CCN(Cc2ccc(C#N)cc2)CC1,-1.2981021404266357
Cc1ccccc1NCc1noc(-c2ccc(F)c(Cl)c2)n1,-0.7490232586860657
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1F,-0.9516374468803406
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0320849418640137
CC1(C)CCC(NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.355036735534668
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2366328239440918
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898368120193481
Cc1nnc(SCc2ccccc2Cl)n1-c1ccc(Cl)cc1,-0.53045654296875
Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CC(C)C)C1,-1.1604589223861694
O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCCC2(CCOCC2)C1,-1.0475974082946777
O=C(C[NH+]1CCc2ccccc21)NCc1ccc(Br)cc1,-1.227249026298523
Cc1ccc(C(=O)NCCN=C(O)Cc2ccccc2)cc1,-1.5310864448547363
C[NH+]1CCC[C@@H]([NH+]2CCC(CNC(=O)C(C)(C)C)CC2)C1,-1.1915345191955566
Cc1nccc(C(=O)NC[C@H]2CCCC3(CCCC3)C2)n1,-1.2260304689407349
CC1(C)CCN(c2ccc(NC(=O)N3CCCC3)cc2)C1,-1.409278392791748
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.4635493755340576
COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1,-1.5398200750350952
CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.6249597072601318
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.1084601879119873
Nc1ccc2cc(C(=O)NCc3cccc(Cl)c3)[nH]c2c1,-0.989720344543457
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588192224502563
CC(C)(C)c1ccc(NC(=O)C2CCC(=O)CC2)cc1,-1.3293044567108154
C[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3)CC2)CC1,-1.4867714643478394
C[NH+]1CCCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1,-1.179775595664978
COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.482094168663025
CC1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-1.00070321559906
CC(C)(C)c1ccc(NC(=O)N2CCNC(=O)C2)cc1,-1.3195812702178955
COc1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1,-1.5876047611236572
O=C(Nc1cccc(Cl)c1)N1CCC[C@H](c2ccccc2Cl)C1,-0.8258167505264282
Clc1cc(NCc2ccc(C3CCCCC3)cc2)ccc1Br,-0.8454880714416504
O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.0135948657989502
Cc1ccc(N2CCC(NC(=O)C3CCOCC3)CC2)c(C)c1,-1.1102664470672607
COc1ccc(C(C)(C)C(=O)NC2CCC(F)CC2)cc1,-1.2185792922973633
C[NH+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1,-1.498822808265686
OC(COCc1ccc(Cl)cc1)=NCc1ccc(Br)cc1,-1.388431429862976
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-0.9689164757728577
Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2o1,-1.1116894483566284
CCCC(O)=Nc1cccc(C(=O)NCc2ccccc2)c1,-1.5764498710632324
Cc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.2297039031982422
[NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9326883554458618
C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1CC1CCCCC1,-1.2416229248046875
O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@H]1O,-1.0464909076690674
Cc1ccc(O)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.1445118188858032
Cc1ccc(N)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.07483971118927
Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.0811622142791748
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3363351821899414
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2349942922592163
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9964168071746826
Cc1ccc(C)c(C(=O)Nc2cc(-c3ccccc3F)[nH]n2)c1,-0.7781898975372314
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0662208795547485
Cc1cccc(C(=O)N[C@H]2CCC[C@H]2c2cnn(C)c2)c1,-1.1133146286010742
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2s1,-1.0153142213821411
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.333942174911499
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1784663200378418
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4310051202774048
O=C(Cc1ccccc1)Nc1ccc(CC(F)(F)F)cc1,-1.5076457262039185
COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3007313013076782
O=C(NCc1ccccc1)[C@@H]1CCC[NH+](CCCF)C1,-1.5949742794036865
CN1CC[NH+](Cc2ccc(Oc3ccccc3)cc2F)CC1,-1.391335129737854
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-1.0631077289581299
CC(C)C(=O)N1CCN(C(=O)C2CCCCC2)CC1,-1.288368582725525
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016446352005005
O=C(Nc1ccc2[nH]nnc2c1)c1csc(-c2ccccc2)n1,-0.8152163028717041
[NH2+]c1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0516161918640137
O=C(NCc1cccc(F)c1)c1ccc2nc(S)[nH]c2c1,-0.8866621255874634
C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.489312767982483
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.3533947467803955
Cc1cc(Br)ccc1NC(=O)C(C)Oc1ccc(F)cc1,-1.1700317859649658
Cc1nc(-c2ccc(NC(=O)C(N)=O)cc2)c(C)[nH]1,-1.0222066640853882
Cc1cc(OCc2ccc(C(C)(C)C)cc2)ccc1Br,-1.2421681880950928
C[C@@H]1CCCC[NH+](CCNC(=O)c2ccc(Cl)c(F)c2)C1,-0.9279521703720093
[NH3+][C@H](COc1ccccc1)C(=O)Nc1ccc(F)c(F)c1,-1.3766831159591675
Cc1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c(F)c1,-1.0542925596237183
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4721506834030151
O=C(NCc1ccc(Cl)cc1)N1CC[NH2+]C2(CCCC2)C1,-1.4037203788757324
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695247650146484
O=C(NCCc1ccc(O)cc1)N[C@@H]1CCCc2ccccc21,-1.209412693977356
Fc1ccc(CC2CCCN2Cc2ccc(Br)cc2F)cc1,-0.8285696506500244
O=C(N[C@H]1CCCC[C@H]1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.8671801686286926
O=C1CCC(C(=O)Nc2cccc(-c3ccccc3)c2)CC1,-1.4086085557937622
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4276893138885498
COc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1,-1.1398680210113525
CC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.5157179832458496
O=C(Nc1ncccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.7763968110084534
Cc1cc(CNC(=O)N2CCc3ccc(Br)cc3C2)no1,-0.8990581035614014
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9423964619636536
CCOc1ccccc1NC(=O)CC1CCCC1,-1.6711642742156982
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292315483093262
Oc1cc(Cl)c(NCc2noc(-c3ccccc3)n2)cc1Br,-0.7033904790878296
CCc1c(C(=O)N[C@H]2CC23CCC3)cnn1CC,-1.1065226793289185
CCc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,-1.0440821647644043
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.958913266658783
Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](F)C2)cc1,-1.307063341140747
CC(C)(O)C1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.9486778378486633
CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.121863842010498
O=C(c1ccc(-c2ccc3c(c2)OCO3)o1)N1CCc2ccccc2C1,-0.753217875957489
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.8244917988777161
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095380544662476
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0536593198776245
Oc1cc(NCc2ccccc2)nc(-c2ccc(Br)cc2)n1,-1.0014485120773315
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3101627826690674
COc1ccc(C(=O)NCc2ccc(Br)cc2)s1,-1.5213111639022827
O=C(c1ccc(F)cc1)N1Cc2ccccc2C[C@@H]1c1cccc(F)c1,-0.5973274111747742
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0714247226715088
Cc1nc(-c2ccc(NC(=O)c3ccc(O)cc3)s2)no1,-1.0939085483551025
O=C(Nc1ccc(O)cc1Cl)N1CCN(c2ccccc2)CC1,-1.0192034244537354
Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1729072332382202
CC(C)Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1,-1.5584927797317505
CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1,-0.9601539373397827
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.239185094833374
Cc1ccccc1CCC(=O)NCC1CCC(F)(F)CC1,-1.2907887697219849
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2769804000854492
O=C(Cc1ccc(-c2ccccc2F)cc1)NC1CC[NH2+]CC1,-1.2256361246109009
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0151562690734863
O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,-1.3265020847320557
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F,-0.9738903045654297
C[C@@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.3056488037109375
Cc1cc(Br)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-0.9518207907676697
O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.8044779896736145
CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccc(F)cc3)C2)CC1,-0.973530650138855
O=C(NCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1,-1.0301055908203125
[NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.05746328830719
CC(C)(C)C(=O)NC1C[NH+](Cc2ccc(Br)cn2)C1,-1.1447521448135376
Cn1ccc(C(=O)N2CCC(C)(Cc3ccccc3)C2)c1,-1.5343756675720215
C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)OCO2,-1.5924042463302612
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1825112104415894
CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1,-1.1507761478424072
[NH3+]c1cccc(CNC(=O)[C@H]2Cc3ccc(Br)cc3O2)c1,-1.0980995893478394
O=C(c1ccc(Cl)cc1F)N1CCCC(Cc2ccccc2)C1,-0.945217490196228
CC(C)[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.1717134714126587
CC(C)(CC(=O)OCc1ccc(Cl)cc1)c1ccccc1,-1.5136486291885376
C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.5367487668991089
Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.2532658576965332
O=C1CCN(Cc2ccccc2)N1Cc1ccc(I)cc1,-1.3361088037490845
O=C(N[C@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCC[C@@H](F)C1,-0.6519443392753601
CN(Cc1ccc(O)cc1)C(=O)c1ccc2c(c1)OCO2,-1.3138409852981567
Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.013643741607666
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0295199155807495
C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5601152181625366
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3541224002838135
O=C(Nc1cc(O)ccc1F)c1ccc(-c2ccccc2)cc1,-1.1193150281906128
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0778826475143433
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(F)c1,-1.0586695671081543
CC1(C)CN(C(=O)Nc2ccc(C(N)=O)cc2)CCO1,-1.5543196201324463
CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0561788082122803
O=C(CN1CCOCC1)Nc1ccc(N2CCCC2=O)cc1,-1.505691647529602
c1ccc(Cn2cnnc2NCc2cccs2)cc1,-1.5635027885437012
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1449235677719116
O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2F)CC1,-0.9047712087631226
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.1998589038848877
CCc1ccc(NC(=O)N2CCOCC3(CC[NH2+]CC3)C2)cc1,-1.50728440284729
COc1ccc(NC(=O)CN=C(O)Cc2ccccc2)cc1,-1.557316780090332
Fc1ccc(OCc2ccc(Cl)cc2)c(-c2ccccc2)c1,-1.1661465167999268
Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)cc1,-1.089781403541565
O=C(N[C@@H]1CCCC[C@H]1c1cccs1)c1ccc2nn[nH]c2c1,-0.7689158916473389
Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,-0.8504444360733032
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4682599306106567
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3687560558319092
COc1ccc(CNc2cccc(S(C)(=O)=O)c2)cc1,-1.5650626420974731
Cc1nc(C)c(C(=O)NCC2CCC3(CC2)OCCO3)o1,-1.4516839981079102
Cn1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cn1,-1.0042973756790161
CN(C(=O)c1ccc(F)cc1)C1CCN(c2ccccc2)CC1,-1.0570658445358276
Cc1nccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8684642314910889
C[NH+]1CCCN(C(=O)Nc2ccccc2N2CCCCC2)CC1,-1.2641538381576538
Cc1ccc(N)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.119238018989563
C[C@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.2707041501998901
CCCCOc1ccc(NC(=O)C2CCCCC2)cc1,-1.615347146987915
O=C(NCc1cc2ccc(Cl)cc2[nH]1)c1ccc(I)cc1,-0.8286397457122803
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.321929693222046
Cc1cccc(F)c1C(=O)NC1C[NH+](CCC(C)(C)O)C1,-1.235599398612976
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.365029215812683
Cc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1,-1.3006601333618164
C[C@@H]1C[NH+](C)CCN1c1ccc(NC(=O)c2ccccc2)cc1,-1.1739321947097778
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2258660793304443
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1F,-0.843472421169281
C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5375804901123047
c1ccc(-c2ccc(N[C@@H]3CCN(c4ccccc4)C3)nn2)cc1,-1.110467791557312
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.069104552268982
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0176199674606323
O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.481109380722046
Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)cc1,-1.000084400177002
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.069625735282898
Cc1cc(NC(=O)c2csc(-c3ccc(Br)cc3)n2)no1,-0.8783033490180969
CCCOc1ccccc1C(=O)Nc1ncccc1N,-1.3844770193099976
O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0888893604278564
N[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1907037496566772
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1,-1.1494911909103394
O=C(N[C@@H]1CCCN(c2ccc(F)cc2F)C1)c1ccccc1,-0.9622442722320557
COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.518415093421936
C[C@@H](C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1,-1.4672150611877441
COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)[C@H](C)C2)cc1,-1.0795749425888062
CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)CC1,-1.2476290464401245
Oc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-1.0083709955215454
COC[C@H](C)C(=O)NC1CC[NH+](c2ccc(F)cc2)CC1,-1.4543592929840088
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3796072006225586
O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.293975591659546
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1F,-0.9542272686958313
CN1CCCc2cc(C(=O)N3CCC[C@@H](c4ccc(F)cc4)C3)ccc21,-0.5132618546485901
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199408531188965
Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2[nH]1,-1.0617733001708984
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898467659950256
Fc1ccc(N2CCOCC2)c(F)c1,-1.6587738990783691
Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1659878492355347
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9831348657608032
Cc1ccc([C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)cc1,-1.081451654434204
Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1,-0.8576319813728333
Nc1ccc2c(c1)CCN(C(=O)[C@H]1CCCN(c3ccc(F)cc3)C1)C2,-0.6203163266181946
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1285643577575684
Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4800909757614136
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0227245092391968
Cc1ccccc1C(=O)NC1(c2cccc(F)c2)CCCCC1,-1.180169701576233
C[NH+]1CCN(c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2)CC1,-1.1120222806930542
Cc1ccccc1CN1CCN(C(=O)c2cccc(N)c2)CC1,-1.1005390882492065
Cc1ccc(NC(=O)N2CCCC[C@@H]2C2CCOCC2)c(C)c1,-1.087508201599121
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.10771644115448
O=C(Nc1ccc(O)cn1)N1CCC(c2ccccc2F)CC1,-0.9685876965522766
Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.078433632850647
C[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1c1ccc(F)c(F)c1,-0.5084502696990967
CCCCC(=O)N1CCC(NC(=O)C[C@H]2CCCCO2)CC1,-1.5260664224624634
C[C@H]1CCCN(C(=O)Nc2cc(Br)ccc2C(N)=O)C1,-0.9134302139282227
Cn1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cn1,-1.4260512590408325
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9419554471969604
Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(F)c1,-0.9570341110229492
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2424359321594238
CC(C)(C)C(=O)Nc1ccc(CN2CCOC2=O)cc1,-1.5840997695922852
O=C(CCc1ccccc1)Nc1ccc(N2CCNCC2)cc1,-1.547033429145813
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852774381637573
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.0751749277114868
CC1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2305347919464111
O=C(Nc1ccc(OCCCF)cc1)c1ccccc1,-1.6656649112701416
[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1-c1cccc(F)c1,-0.9674474000930786
Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9495450258255005
O=C(c1ccc(Br)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9590280652046204
O=C([O-])C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1,-1.1131715774536133
O=C(COc1ccccc1)Nc1ccc2c(c1)OCCO2,-1.563831090927124
Cn1nnc2ccc(C(=O)NCc3ccc(Cl)cc3)cc21,-0.8330920934677124
CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.1884973049163818
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.202876329421997
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1592384576797485
Cc1ncccc1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.8501734137535095
c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.380245566368103
C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.0421422719955444
Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1F,-0.9789861440658569
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2F)nc1,-0.8838403224945068
O=C(c1ccc(-c2cc(F)ccc2F)cc1)N1CCC2(CCCO2)CC1,-0.8183971643447876
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CC[C@H](O)C1,-1.112552285194397
Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.5362586975097656
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9408213496208191
CC(C)(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1,-1.5178180932998657
O=C(N[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.1910431385040283
Cc1cc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)c(C)o1,-1.349035382270813
CCN1CCC(CNC(=O)c2cc(Cl)no2)CC1,-1.289952278137207
Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.4684765934944153
Clc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1256935596466064
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.019256830215454
O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6621044874191284
Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.302737832069397
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5719503164291382
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(Br)c1,-1.009616494178772
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.372816562652588
COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0026535987854004
O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(I)cc1,-0.9047977924346924
Cc1ccc(-c2ccccc2)c(OCc2ccc(F)cc2)c1,-1.2679675817489624
c1ccc(-c2nonc2C[NH+]2CCN(C3CCCCC3)CC2)cc1,-1.132416844367981
Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cn1,-1.07295823097229
Cc1ccc(F)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-0.9787020683288574
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9314029216766357
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0797039270401
O=C(Nc1cccc(Cl)c1O)c1cccc(N2CCOCC2)c1,-1.1569979190826416
Cc1cc(O)cc(C(=O)NC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)c1,-1.2807722091674805
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6734645366668701
O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)OCO2,-1.43728768825531
O=C(COC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2941546440124512
c1ccc(Cc2nc(-c3cccc(N4CCOCC4)c3)no2)cc1,-1.2753249406814575
CC1(O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1,-1.518527865409851
O=C(NC[C@H]1CCCOC1)Nc1ccc(Cl)cc1,-1.6476680040359497
O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](Cc2ccccc2)C1,-1.0175719261169434
Fc1ccc(NCc2ccc(N3CCOCC3)nc2)cc1Cl,-1.0226129293441772
Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2112196683883667
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9163497090339661
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0385812520980835
O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc12,-0.9120837450027466
Cc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(Cl)s2)n[nH]1,-1.0057687759399414
O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCC2(CC2)C1,-1.5010058879852295
O=C(Nc1ccccc1Br)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1261757612228394
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1861246824264526
CCOc1ccc(OC(=O)C(CC(C)C)C(=O)O)cc1,-1.5639227628707886
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.316421389579773
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1606776714324951
Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9535437226295471
O=C(N[C@@H]1CCN(c2ccc(O)cc2)C1=O)c1ccccc1,-1.2470946311950684
Cc1coc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)c1,-1.093583583831787
CC1(C)CC[C@H](NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.31645667552948
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.3339574337005615
Cc1cc(Br)ccc1CNC(=O)[C@@H]1CCS(=O)(=O)C1,-1.2593556642532349
Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1F,-0.9964367747306824
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9171444773674011
Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4527251720428467
Cn1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)n1,-1.173946499824524
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.078806757926941
CC1(C)C[C@]2(CO1)C[NH+](Cc1ccc(C(F)(F)F)cc1)CCO2,-1.3501410484313965
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7969681620597839
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9734293222427368
O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.4077283143997192
CN1CC[NH+](CCNC(=O)c2ccc(Cl)cc2)CC1=O,-1.1759390830993652
Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)o1,-1.1964694261550903
c1ccc(-c2nc(C[NH+]3CCN(C4CCCCC4)CC3)no2)cc1,-1.16072416305542
O=C(N[C@H]1CC12CCC2)N1CCC[C@H]1c1ccc(Br)cc1,-1.0129177570343018
CO[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1,-1.6059426069259644
Cc1ccc(CC(=O)NCCc2ccc(F)cc2)c(Cl)c1,-1.1135094165802002
C[NH+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1408156156539917
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625508546829224
c1ccc(Cc2nc([C@H]3CCCC[C@H]3c3ccccc3)no2)cc1,-1.1656248569488525
Cc1cc(Br)ccc1NC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1,-0.8500555753707886
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.1506937742233276
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9439796805381775
CN1CCN(C(=O)NCc2ccc(F)c(F)c2)CC1=O,-0.9616410732269287
O=C(C[NH+]1CCC[C@H](C(=O)[O-])C1)Nc1ccc(F)cc1,-1.4484022855758667
O=C([C@@H]1CCCC[C@H]1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.096226453781128
CN(Cc1nc2ccc(-c3ccccc3)cc2s1)c1ccccc1,-0.8922287821769714
O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(O)cc1,-1.271170735359192
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[C@@H]1c1ccccc1,-1.0982036590576172
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9057461619377136
CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.398108959197998
CC[NH+]1CCC(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.048351764678955
Cc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1,-0.957424521446228
Cc1ccc(C(=O)N2CCN(CC(O)=Nc3ccc(F)cc3)CC2)o1,-1.112520456314087
O=C(C[NH+]1CCOCC1)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.4866504669189453
COc1ccc(COC(=O)c2ccc(C)s2)cc1,-1.5910322666168213
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0839471817016602
CC(CN)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,-1.3812482357025146
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437062740325928
O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2,-1.380247712135315
CCCOc1cccc(NC(=O)[C@H]2CCCC[NH+]2C)c1,-1.5586873292922974
O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4429354667663574
Cc1cc(Br)ccc1C(=O)NC[C@H]1CCS(=O)(=O)C1,-1.2758612632751465
Cn1nc(C(=O)NCc2ccc(I)cc2)c2ccccc21,-0.8311753273010254
O=C(c1cc2ccccc2o1)N1CC[NH+](C[C@@H]2CCOC2)CC1,-1.2899383306503296
CC(C)N=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.5649558305740356
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.302247405052185
Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)o1,-1.2360669374465942
C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)cc2)CCCO1,-1.479527473449707
CC(C)N=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.5702667236328125
CC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5798745155334473
Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2cccc(F)c2)C1,-1.1378833055496216
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3O)cc2)CC1,-1.1912716627120972
CCc1ccc(CCC(=O)Nc2ccc(C)c(Br)c2)cc1,-1.2129325866699219
Nc1ccc(C(=O)NCc2nc3cc(Br)ccc3s2)cc1,-0.6935601234436035
O=C(Nc1ccccc1C1CCCC1)N1CC[NH+]2CCC[C@H]2C1,-1.0475423336029053
Cc1ccc(N2CCCC(NCc3ccc(Cl)cc3)C2)cc1,-1.2595746517181396
CC1(C)CN(C(=O)NCc2ccc3n[nH]nc3c2)CCO1,-1.2048530578613281
Cc1ccc(C[NH+]2CCN(C(=O)CC3CCOCC3)CC2)cc1,-1.4755995273590088
Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(F)c1,-1.189742088317871
O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCc2[nH+]ccn2C1,-0.790955662727356
COc1cccc(CNC(=O)c2ccc(Cl)o2)c1,-1.6126927137374878
CC1(C)CC[C@@H](C(=O)NCc2ccc(Cl)c(Br)c2)C1,-1.0455173254013062
Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.906036913394928
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.27669095993042
CCOc1ccc(CNC(=O)C(CC)CO)cc1,-1.668785810470581
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.918063223361969
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.041237473487854
C[NH+]1CCC[C@H](C(=O)Nc2ccccc2CC(C)(C)O)C1,-1.493721842765808
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.114506721496582
Fc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(Br)cc3)C2)cc1,-1.1706377267837524
Cn1cc(CC(=O)NCC2CCCCC2)c2cccnc21,-1.278348445892334
C[C@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4344866275787354
Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.536981225013733
O=C(CC1CCCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4234212636947632
O=C(NC1(O)CCCCCC1)N1CCN(c2ccccc2)CC1,-1.5065011978149414
Cc1ccc(N2CCN(C(=O)Nc3ncccc3Cl)CC2)cc1,-0.863288164138794
O=C(N[C@H]1CCC(F)(F)C1)c1csc(-c2ccccc2)n1,-1.024453043937683
O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.5131850242614746
C[NH+]1CCN(c2ccccc2CNc2ccc(Cl)cc2)CC1,-1.131213903427124
O=C(Nc1ccc(-c2ccccc2)c(F)c1)c1ccc(Br)cc1,-0.9526166915893555
Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1,-1.471686601638794
O=C(NCCCc1ccccc1)N[C@@H]1CCCC[C@H]1O,-1.6716526746749878
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8781851530075073
O=C(Nc1ncccc1Br)C1CCN(c2cccc(F)c2)CC1,-0.7245301604270935
Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.2099112272262573
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114391326904297
CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1,-1.1825485229492188
CC(C)Oc1ccc(NC(=O)N2CCCC2)cc1,-1.6983906030654907
N#Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1,-0.8659529685974121
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.339896321296692
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0628175735473633
CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.120297908782959
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5316609144210815
Cc1nc2ccc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2o1,-0.683113694190979
Cc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1923012733459473
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599852561950684
Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.4054065942764282
Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.212429404258728
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.9699179530143738
Cc1ccc(Cl)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1,-1.0111157894134521
O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9693066477775574
[NH3+][C@@H](CC(=O)NCc1ccc(Cl)c(Br)c1)c1ccccc1,-1.0757460594177246
O=C(Nc1ccc(C2CC2)cc1)N1CCS(=O)(=O)C1,-1.5975544452667236
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1603258848190308
O=C(Nc1ccc(F)cc1)N1CCCC1C(O)=Nc1ccc(Br)cc1,-0.8065510988235474
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1231135129928589
CC1CCCN(C(=O)NCC(O)Cc2ccc(F)cc2)C1,-1.3938807249069214
Oc1cc(CNCCc2ccc(Cl)cc2)c2ccccc2n1,-1.0149132013320923
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2389360666275024
O=C(Nc1ccc(N2CCCCC2)cc1)N1CC[S+]([O-])CC1,-1.4451124668121338
CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1,-0.8935995697975159
COc1ccc(N2CCN(C(=O)c3scnc3C)C[C@H]2C)cc1,-0.8188456296920776
CCCCC1(C(=O)NCc2ccccc2)CCCCC1,-1.6571192741394043
O=C(N[C@H]1CCCN(c2ccc(F)cc2Cl)C1)c1ccccc1,-0.8946381211280823
CCc1cc(C(=O)NCc2ccc(I)cc2)n[nH]1,-1.4336047172546387
Cc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.5276782512664795
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(C)n1,-0.9391632080078125
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.189236044883728
CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1832810640335083
Nc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-0.9812127351760864
O=C(c1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1,-1.2624024152755737
O=C(COc1ccccc1)N1CCN(c2ncccc2Cl)CC1,-1.1375190019607544
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.1338021755218506
Cc1ccc(CNC(=O)c2ccc3nc(O)[nH]c3c2)cc1,-1.135001301765442
Cc1occc1C(=O)NC1CCN(c2ccc(F)cc2Cl)CC1,-0.746384859085083
O=C(Nc1cccc(Br)c1)N1CCN(c2ccccc2F)CC1,-0.9015862941741943
O=C(Nc1ccc(-c2cccs2)cc1)[C@H]1CCc2nncn2C1,-0.9003905057907104
C[C@H]1CCCN(C(=O)Nc2cc(F)ccc2C(=O)[O-])C1,-1.0691068172454834
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.0185588598251343
O=C1CCCN1C(=O)N1CCC(Nc2ccc(F)cc2)CC1,-1.119431495666504
Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.9856438636779785
Cc1nc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)co1,-1.0989826917648315
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.3076077699661255
[NH3+]CCCc1cccc(C(=O)Nc2ccc3c(c2)CCCC3)c1,-1.303309440612793
COc1ccc(CNC(=O)c2cnc(C)[nH]2)cc1,-1.6290255784988403
O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1ccc2ocnc2c1,-1.0182528495788574
NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1,-1.114083170890808
c1ccc(N2CCN([C@@H]3CCC[NH+](Cc4cccs4)C3)CC2)cc1,-1.38381826877594
O=C1CCCC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)N1,-0.8989154696464539
Nc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.055808424949646
CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.2575331926345825
O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(Br)cc2)CC1,-0.7908284664154053
Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3Br)CC2)cc1,-0.9041056632995605
O=C(c1ccccc1F)N1CCN(Cc2ccc(O)cc2)CC1,-1.1329822540283203
C[NH+]1CCC(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1,-0.8640093803405762
O=C(c1ccc(F)cc1O)N1CCC(Cc2ccccc2)CC1,-1.068519115447998
CC[C@@H](F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.221382737159729
O=C(COc1cccc(F)c1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.4621602296829224
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2411155700683594
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1Cl,-0.8980527520179749
Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.3770891427993774
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0731102228164673
O=C(NCC1CCCC1)N[C@@H]1CC12CCOCC2,-1.7246404886245728
CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CCCC[C@@H]1O,-1.5640318393707275
Fc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1,-1.0206692218780518
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1320013999938965
Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2140086889266968
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1317988634109497
Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4745941162109375
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0669738054275513
Cn1cc(CC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cn1,-1.3858140707015991
Cc1cccc(C(=O)NC2(c3cccc(F)c3)CCC2)c1,-1.45543372631073
C[NH+]1CCC[C@@H](CNC(=O)c2cc3ccc(F)cc3o2)C1,-1.0585671663284302
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4954102039337158
C[C@@H]1CN(c2cccc(NCc3ccccc3)c2)C[C@H](C)O1,-1.5016276836395264
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565117597579956
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.3429069519042969
Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4830878973007202
O=CN1CCN(c2ccc(F)cc2)CC1,-1.695315957069397
CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.584841012954712
O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1,-0.7710628509521484
CC(C)C(=O)Nc1ccc(-c2noc(-c3ccccc3)n2)cc1,-1.17349112033844
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.56651771068573
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0847944021224976
Cc1nc2cc(C(=O)NCc3cccc(O)c3)ccc2[nH]1,-1.062656044960022
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.1048482656478882
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5086313486099243
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084174513816833
Cn1cc(C(=O)NC[C@@H]2CCC[NH+](C)C2)c2ccccc21,-1.1655046939849854
Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[C@H](C)C3)s2)s1,-0.7210094332695007
Fc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.1648385524749756
O=C(Nc1cccc(F)c1F)C1CCN(c2ccccc2)CC1,-0.93190997838974
CCOC(=O)c1ccc(NC(=O)C(C)O)cc1,-1.6761947870254517
Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12,-0.5764639377593994
C[C@H]1Cc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2O1,-1.2311577796936035
COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2627348899841309
O=C(NC1CCN(c2ccc(F)cc2Br)CC1)c1ccccc1,-0.8834401965141296
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2Br)CC1,-0.8814062476158142
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.008124589920044
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1492714881896973
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2I)CC1,-0.8881812691688538
CCc1ccccc1NC(=O)N1CCOC2(CCC[NH2+]CC2)C1,-1.4954012632369995
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.29872465133667
O=C(NCCCCc1ccc(F)cc1)c1ccc2n[nH]nc2c1,-1.1102322340011597
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419161558151245
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5314993858337402
CC(C)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0744459629058838
Cc1ccc(OCC(=O)Nc2ccc(O)cc2Cl)cc1C,-1.1093754768371582
O=C(CSCc1ccccc1)NC1CCCCC1,-1.6775381565093994
Cc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1Br,-1.1252163648605347
Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1,-1.3045626878738403
C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.174843192100525
O=C(Cn1cnc2ccccc21)NCc1ccc(Br)cc1,-1.1429712772369385
Fc1cccc(-c2ccc(NCc3ccc(Br)cc3)nn2)c1,-0.9037484526634216
Cc1ccc(CNC(=O)c2cc3cc(C)ccc3s2)cc1,-1.1832077503204346
Cc1nc(Cl)nc(-c2ccc(NCc3ccccc3)cc2)n1,-0.8630487322807312
Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-0.9853248596191406
Cc1cccc(NC(=O)N2CCC(CC(C)(C)O)CC2)c1,-1.5281261205673218
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3876675367355347
O=C(CCc1ccc2c(c1)OCO2)NCC1CCCCC1,-1.5416425466537476
C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2203619480133057
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-1.5220253467559814
Cc1ccc(C(=O)Nc2ccccc2N=Cc2cc(F)ccc2F)cc1,-0.8693726062774658
Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.326744794845581
Cc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1cccc(F)c1,-1.1011626720428467
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Br,-0.943435788154602
O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.1020596027374268
c1ccc(-c2noc(COCc3cccs3)n2)cc1,-1.5888811349868774
Nc1cccc(C(=O)N2CCC[NH+](CC3CCCCC3)CC2)c1,-1.2598731517791748
C[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-0.9602882862091064
Cc1cccc(CC(=O)N2CCN(c3ccc(F)c(C)c3)CC2)c1,-0.8696447014808655
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-1.425684928894043
Cn1cc(NC(=O)[C@@H]2CC[NH+](C)C2)c(-c2ccccc2)n1,-1.1661521196365356
Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)cc1,-0.803802490234375
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5061254501342773
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.1050344705581665
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)c1,-1.0805195569992065
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1357336044311523
COc1ccc(CC(=O)NCc2cccs2)cc1,-1.643550992012024
O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)CC2,-1.3828891515731812
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305437088012695
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2998296022415161
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.057610273361206
O=C(NC1CCCCC1)N1CC[NH+](C2CC(F)(F)C2)CC1,-1.2209787368774414
CC(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1,-0.910053014755249
C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccccc1,-1.2476303577423096
C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.100558876991272
O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,-1.4052956104278564
Cc1ccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)cc1,-1.2720439434051514
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874307513237
Nc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.358447551727295
Cc1ccc([C@@H]2C[C@H](NC(=O)c3ccccc3N)CCO2)cc1,-1.2830665111541748
Cc1ccc(-c2nocc2C(=O)NC2(C)CCCC2)cc1,-1.3143712282180786
Cc1cc(N2CCC([NH2+]CC3CCOCC3)CC2)ccc1Cl,-1.0908989906311035
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874278903007507
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1140170097351074
O=C(Nc1ccc(F)cc1F)N[C@@H]1CC[NH+]2CCCC[C@@H]12,-0.8417528867721558
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.188413143157959
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1884691715240479
O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(Br)c1,-1.342458724975586
Cc1cc(Cl)c(Cl)cc1OCc1nc(-c2ccccc2)no1,-0.8014442920684814
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3732224702835083
C[NH+]1CCC[C@@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C1,-0.8723737597465515
O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.2622977495193481
C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)s2)CC1,-1.5108925104141235
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.958916425704956
Cc1cnccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9237775206565857
CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999483108520508
C[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0100542306900024
O=C(NC1CC1)c1ccc(C[NH+]2CCCC2)cc1,-1.6159824132919312
CC[C@@H](C)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9809322357177734
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)nc1,-0.9091742038726807
COc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1F,-0.5310726761817932
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9006922245025635
CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccc(I)c2)C1,-1.0111442804336548
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.156758427619934
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2192269563674927
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9868687987327576
CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.1515227556228638
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9638890624046326
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.255532145500183
c1ccc(Cc2nnc(C[NH+]3CCOC4(CCC4)C3)o2)cc1,-1.5424015522003174
O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5482676029205322
C[NH+]1CCC(CNC(=O)N2CCC3(CCOCC3)C2)CC1,-1.5494751930236816
CC1(C)CC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.506350040435791
CCCN1CCN(C(=O)c2ccc(OCC)cc2)CC1,-1.5556211471557617
O=C(N[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1,-1.1661250591278076
Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2973690032958984
O=C(NC1CCSCC1)c1ccc(N2CCCCC2=O)cc1,-1.1497892141342163
O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.8949637413024902
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0696104764938354
CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.2156585454940796
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1908596754074097
CC1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4804255962371826
CCC(C)(C)C(=O)NCc1ccc2c(c1)O[C@@H](C)C(=O)N2,-1.1220893859863281
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858065128326416
CC[NH+]1CCC[C@@H](C(=O)NCc2ccc(Br)s2)C1,-1.2877627611160278
O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3361560106277466
NS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccccc2)cc1,-1.067459225654602
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2477291822433472
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0483962297439575
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.3598705530166626
O=C(N[C@@H]1CC[C@H](F)C1)N1CCC[C@H]1c1ccc(Cl)cc1,-1.029823660850525
O=C(Nc1cc(N2CCOCC2)ccc1Cl)c1ccc(O)cc1,-1.0755659341812134
CC(C)CNC(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.8922969102859497
Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0450979471206665
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.3038623332977295
Cc1cccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)c1,-1.0219265222549438
O=C([C@H]1C[C@H]1Cc1ccccc1)N1CCOC2(CCC2)C1,-1.5455734729766846
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0694730281829834
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)o2)CC1,-1.1205180883407593
CC(C)C(C)(O)C[NH+]1CC[C@H](NC(=O)c2ccccc2)C1,-1.5372979640960693
Cc1ccc(C(=O)NCCCN=C(O)Cc2cccs2)cc1,-1.5037541389465332
O=C(NC[C@@H](O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1,-0.9585478901863098
CCc1ccc(NCc2cccc(S(N)(=O)=O)c2)cc1,-1.5408765077590942
O=C(c1ccc2occc2c1)N1CCC[C@@H]1CC1CCOCC1,-1.148861289024353
Cc1ccc(C(=O)N2CCC(Nc3ccccc3Br)CC2)cc1,-0.9494119882583618
C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3c2)C[C@H](C)O1,-1.2972050905227661
Cc1nc2ccc(CNC(=O)c3ccc(N)cc3)cc2[nH]1,-0.9700443744659424
Cc1cc(N)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.1599096059799194
C[C@@H]1C[C@@H](NC(=O)c2ccccc2)C(=O)N1c1ccccc1,-1.2632603645324707
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1599390506744385
O=C(CNC(=O)[C@@H]1CCCCS1)c1ccc(F)c(F)c1,-1.0176455974578857
O=C(N[C@H]1CCN(c2ccccc2)C1)c1noc2c1CCCC2,-1.0208550691604614
C[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1,-0.9913848042488098
[NH3+]c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5102190971374512
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1,-0.9670287370681763
C[C@H](Cc1ccc(F)c(Cl)c1)NC(=O)c1ccccc1F,-0.8692866563796997
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3595259189605713
CC1(C)CN(Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.5312551259994507
O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCSCC1,-0.6234790682792664
Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4694432020187378
C[C@H]1C[C@@H]([NH+]2CCC([NH2+]Cc3ccc(F)cc3)CC2)CCO1,-1.3512650728225708
COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0026522874832153
Cn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1,-1.0727890729904175
CC1(C)CC[C@H]1NC(=O)NCc1ccccc1F,-1.4748252630233765
O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCOCC2)CC1,-1.0046151876449585
O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,-0.2019830197095871
O=C(NC1CCCCCC1)N1CCN(c2ccc(Br)cc2)CC1,-1.0876133441925049
CC(C)Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)C2)cc1,-1.291433334350586
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3296858072280884
Cc1cc(N)ccc1C(=O)Nc1ccc(C2CCOCC2)cc1,-1.1186639070510864
CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.0037925243377686
O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8234926462173462
Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.4424991607666016
COc1ccc(N(C)CC(O)=NCCc2cccc(F)c2)cc1,-1.471675992012024
CC(C)c1ccccc1CNC(=O)c1ccn[nH]1,-1.5028527975082397
O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1,-1.063510775566101
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.0006496906280518
CCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.0405548810958862
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0347073078155518
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.9328109622001648
O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.3422197103500366
CC(=O)N1CCC(NC(=O)[C@H]2CCCC(C)(C)C2)CC1,-1.2902179956436157
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.110947847366333
O=C(Nc1ccccc1Br)N1CCN(c2cccc(F)c2)CC1,-0.8891631960868835
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.36081063747406
C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.536107063293457
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2n1,-0.9009198546409607
Cc1ccc(-c2cc(C)nc(NCc3ccccc3)n2)cc1,-1.0552138090133667
CCOc1ccc(NCc2c(F)cccc2F)cc1,-1.4856230020523071
Cc1ccc(C2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2104417085647583
O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1Cl)c1ccccc1,-0.9497395753860474
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc([O-])c1,-1.372894048690796
Fc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c(Cl)c1,-0.6672400236129761
Cc1cc(F)ccc1C(=O)Nc1cccc(N2CCCCC2)c1,-1.0292437076568604
Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1,-0.9864498376846313
Cc1ccccc1NC(=O)[C@@H]1CCOC[C@@H]1c1ccc(F)cc1,-1.103417158126831
Cc1ccc2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1,-0.5620348453521729
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140265464782715
CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5758932828903198
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9616718292236328
Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(O)c1,-1.1843758821487427
CC(C)c1nc(C(=O)N2CCN(c3ncccc3F)CC2)cs1,-0.512420654296875
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1cccc(F)c1,-1.5014312267303467
O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1ccccc1F,-0.9212106466293335
Cc1ccc(C(=O)N2CCC(Cc3ccccc3C)CC2)cc1,-1.123932123184204
c1ccc(-c2csc(NC3CCN(c4ccccc4)CC3)n2)cc1,-1.196435570716858
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.234510898590088
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2759642601013184
O=C(Cc1ccccc1)NCc1nc2ccc(Br)cc2[nH]1,-1.0770928859710693
Cc1ccc(CNc2ccc(-c3ccccc3)nc2)cc1Cl,-1.043710470199585
Cc1ccc(NC(=O)c2ccccc2C(C)(C)C)c(I)c1,-0.8384284377098083
CCNc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.2623698711395264
Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.2511807680130005
Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.230088710784912
CC(C)N1CC[NH+](Cc2noc(-c3ccc(Br)cc3)n2)CC1,-0.8222169280052185
CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.4824340343475342
CC(=O)N1CCN(C(=O)c2cc[nH]c2-c2ccccc2)CC1,-1.155970573425293
Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)c(F)c1,-1.073912262916565
Cc1ccc(NC(=O)CCOc2ccc(F)cc2)c(C)c1,-1.4093127250671387
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2810851335525513
C[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1,-1.4155346155166626
Fc1ccc(-c2nc(CCOc3cccc(Br)c3)no2)cc1,-1.207039713859558
Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.23482346534729
O=C(Nc1ccc(F)cc1Br)N1CCC[C@H](c2ccccc2)C1,-0.8857521414756775
[NH3+]C[C@@H]1CCCN(C(=O)c2cccnc2-c2ccc(Cl)cc2)C1,-0.8150818943977356
Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.216753363609314
Cc1sccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.9350693821907043
O=C(N[C@@H]1CCN(c2ccc(Cl)s2)C1)c1ccc(Cl)cc1,-0.9339770674705505
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3457130193710327
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.576952576637268
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8865293264389038
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2173293828964233
C[C@@H]1CCCCN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C1,-1.2505602836608887
C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(N)cc2)cc1,-1.0901232957839966
Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1Cl,-1.143581748008728
OC1CCN(c2ccccc2OCc2ccc(F)cc2)CC1,-1.3323771953582764
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.187485933303833
Cc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccccc2)C[C@H]1C,-0.789625883102417
Cc1cc(-c2ccc(F)cc2)nc(NCc2ccccc2)n1,-0.9854308366775513
COc1ccc([C@@H]2Cn3nnnc3C[NH+]2CC2CCCCC2)cc1,-0.7824686765670776
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5172691345214844
Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.216740369796753
O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1,-0.8914237022399902
C[C@](O)(CC(=O)NCc1ccc(O)cc1)c1ccccc1,-1.5963488817214966
C[NH+]1CCC[C@@H](C(=O)NCc2nc3ccc(Br)cc3[nH]2)C1,-0.7293315529823303
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.027897834777832
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.9300123453140259
Brc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1,-0.8074576258659363
Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3=O)C2)c(Cl)c1,-0.8160185217857361
O=C(O)Nc1ccc(OCC2CCCCC2)cc1,-1.6633975505828857
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.315179705619812
Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2628567218780518
Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1,-1.4437997341156006
CCC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-0.9516238570213318
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Br,-0.9058699607849121
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2990171909332275
Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)cc1,-1.4539183378219604
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846713781356812
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0347070693969727
O=C(Nc1ccc(Cl)cc1)c1ccccc1C(O)=NCCC(F)(F)F,-0.7605966329574585
Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1,-1.041261076927185
CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1,-0.9939988255500793
Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)cc1,-1.2210935354232788
Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c(Br)c1,-0.8646486401557922
c1ccc(N2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1,-1.0488463640213013
O=C(N[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(O)cc1,-0.9217793345451355
COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1782671213150024
O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2s1,-1.0175371170043945
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.4188997745513916
O=C(Nc1ccc(F)cc1O)C1CCN(c2ccccc2)CC1,-1.0351893901824951
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2163469791412354
Cc1ccc(OCC(=O)N[C@H]2C[C@@H]2C2CCOCC2)cc1,-1.5323678255081177
O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8819096684455872
O=C(N[C@@H]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccccc1F,-0.9999707341194153
C[NH+]1CCC(CC(=O)NCc2nc3ccccc3o2)CC1,-1.3856345415115356
O=C(Nc1ccc(Br)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1,-1.4819916486740112
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3523612022399902
COc1ccccc1CNC(=O)c1ccc(Br)s1,-1.3605363368988037
Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)nc1,-1.0069870948791504
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Br)c1,-1.2716728448867798
Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.1927976608276367
CC(=O)c1ccc(NC(=O)N2CCC3(CCC3)C2)cc1,-1.5282028913497925
Cc1cc(F)ccc1CNC(=O)[C@@H]1CCS(=O)(=O)C1,-1.3674049377441406
C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9001569151878357
Cn1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)n1,-1.0623223781585693
Nc1ccc(N2CCCC2=O)cc1,-1.754632830619812
Cc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1,-1.2113473415374756
Cc1ccc(Cl)cc1CN1CCN(C(=O)c2ccccc2)CC1,-1.1379263401031494
Fc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.265797734260559
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2cnn(C)c2)o1,-1.1104443073272705
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.381301999092102
O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccccc2)CC1,-1.4837229251861572
C[NH+]1CC[C@@H]([C@H]2CCC[C@H]2NC(=O)c2ccc(Br)cc2)C1,-1.079300045967102
C[NH+]1CCC(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.2727409601211548
Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0361528396606445
Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.003477931022644
O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-0.9900857210159302
O=C(c1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1,-1.3861907720565796
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.413502812385559
CC[NH+]1CCCC[C@@H]1CNC(=O)c1cscc1Cl,-1.2293204069137573
Cc1cccc(-c2ccc(NCc3ccc(F)cc3)cc2)c1,-1.2666300535202026
O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.8948656320571899
O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8903516530990601
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2830126285552979
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389431715011597
CC1(C)CC(NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.5314534902572632
Cc1nsc(CNC(=O)Nc2ccccc2Cl)n1,-1.0435734987258911
C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9913356900215149
O=C(NCc1ccc2c(c1)C(=O)CC2)c1ccccc1,-1.3837223052978516
C[C@]1(C(=O)c2ccc(Cl)cc2)CCN(c2ccc(F)cc2)C1=O,-0.7074554562568665
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1311661005020142
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9500054717063904
CC(C)N=C(O)CNC(=O)c1ccc(N2CCOCC2)cc1,-1.4250242710113525
O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0074119567871094
Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1,-1.3252321481704712
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.130560040473938
O=C(Nc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1,-0.8815449476242065
COc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.1242495775222778
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0864014625549316
C[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CCN1c1ccccc1,-1.0180113315582275
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.0570731163024902
Cc1nc2ccc(NC(=O)COc3ccccc3)cc2[nH]1,-1.3306303024291992
O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7651833295822144
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2962312698364258
O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c3cccnc23)CC1,-0.3326770067214966
Cc1ccc(NC(=O)C(=O)Nc2ccc(O)cc2)cc1,-1.5599287748336792
Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.1148725748062134
c1ccc(N2CCN(Cc3noc(C4CCCCC4)n3)CC2)cc1,-1.1597548723220825
C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4226382970809937
Cc1cccnc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1,-1.2420761585235596
O=C(NCCc1ccc(F)c(F)c1)c1ccc(F)cc1Cl,-0.7471831440925598
O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1543020009994507
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708732485771179
CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.601635217666626
Fc1ccc(CNc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1,-0.6101308465003967
NC(=O)C(=O)Nc1ccc(Nc2ccc(Cl)nc2)cc1,-1.366431474685669
Oc1cc(-c2ccccc2)cc(NCc2cccc(Br)c2)n1,-1.1131250858306885
O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3631772994995117
C[C@H]1CCC[C@@H]([NH+]2CC[C@@H](NC(=O)c3cnn(C)c3)C2)C1,-1.09781014919281
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502857446670532
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0588678121566772
COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6349951028823853
CN1CCC[C@]2(CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)C1,-1.0906150341033936
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9634794592857361
CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC(=O)C2)cc1,-1.2768703699111938
O=C(NCC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1,-1.5217512845993042
CCCCCCCCCCOC(=O)c1ccc(C(C)(C)C)cc1,-1.5863043069839478
O=C(Cc1ccc(I)cc1)NC[C@H](O)Cc1ccccc1,-1.444105625152588
C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.354376196861267
Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)c1,-1.4697253704071045
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.2580386400222778
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.175873041152954
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.1362494230270386
O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(F)c1,-1.4116737842559814
CC1(C)CC[C@H](NC(=O)Nc2ccc(Br)c(Cl)c2)C1,-0.9524915814399719
C[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)C[C@@H]1c1ccccc1,-1.122293472290039
CC1CC[NH+](CCNC(=O)[C@@H](C)Cc2ccccc2)CC1,-1.5515086650848389
Cc1conc1C(=O)N[C@H]1CCC[C@@H]1c1cccc(F)c1,-1.1441556215286255
O=C(N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1)c1ncccc1F,-0.9725872278213501
O=C(NCCc1ccccc1F)N1CCc2cc(F)ccc2C1,-0.8562367558479309
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1729182004928589
O=C(COc1ccccc1)N1CCC(c2ccccc2F)CC1,-1.2796919345855713
O=C(NCC(O)=NCc1ccccc1)c1ccc(F)cc1F,-1.2353852987289429
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5097041130065918
Cc1ccc(C2(CNc3ccc(Cl)cc3)CCOCC2)cc1,-1.4667346477508545
Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7386621832847595
O=C1CCN(c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1,-0.8502607345581055
C[C@H]1C[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1,-1.5192830562591553
CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3600436449050903
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.239561915397644
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(O)c1,-1.1424267292022705
O=C(NCc1cccc(F)c1)Nc1ccccc1,-1.6595654487609863
Cn1cc(NC(=O)C[NH+]2CCC[C@H]2c2ccccc2)cn1,-1.433707356452942
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Br)cc2)CC1,-0.8487380743026733
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5101574659347534
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cn1,-1.5362221002578735
N#Cc1ccc(NC(=O)N2CCCC2c2ccccc2)cc1,-1.354149341583252
C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.192813754081726
Cc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1,-1.4583834409713745
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.185133457183838
Cc1cccnc1-c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1,-0.979755163192749
C[C@@H]1C[C@@H](NC(=O)N2CC(c3ccc(F)cc3)C2)CCO1,-1.24359929561615
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2[O-])CC1,-1.0929664373397827
CC1CCN(C(=O)c2ccc(OCC(=[NH2+])O)cc2)CC1,-1.5187822580337524
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954843878746033
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1425485610961914
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258820652961731
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0125056505203247
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0797828435897827
O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2158727645874023
c1ccc(C[NH+]2CCN(Cc3ccc4ccccc4n3)CC2)cc1,-1.207431674003601
O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1c1ccccc1,-0.9543671607971191
Cc1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)s1,-0.9549497365951538
O=C(Nc1ccc(Br)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.9201651215553284
c1ccc(-c2noc(C[NH+]3CCC(c4ccccc4)CC3)n2)cc1,-1.236147403717041
Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl,-0.7190284729003906
Fc1ccc(-c2cc(Cl)nc(NCc3ccccc3)c2)cc1,-0.9998934268951416
Cn1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)n1,-1.0405762195587158
O=C(NC1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)cc1,-0.8802920579910278
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.3039873838424683
Cc1ccc(CNCCC(O)=NCCCc2ccccc2)cc1,-1.5536010265350342
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9653024673461914
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(I)cc2)CC1,-0.9769731760025024
Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.066656470298767
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0855295658111572
CSc1ccc(NC(=O)COc2ccccc2F)cc1,-1.5618271827697754
O=C(NCCc1cccc(F)c1)c1ccc2c(c1)OCO2,-1.2927501201629639
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0881584882736206
Cc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1,-1.0915929079055786
CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1Br,-0.8966498970985413
[NH-]c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.401100516319275
CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3589277267456055
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3Cl)C2)cn1,-0.8662371039390564
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0483088493347168
COc1ccc(CNC(=O)c2ccc(N)s2)cc1,-1.5596929788589478
C[NH+]1CCCN(C(=O)Nc2ccc(C3CCOCC3)cc2)CC1,-1.4240295886993408
O=C(Nc1ccc(F)cc1)c1ccccc1Cl,-1.4273736476898193
Cc1cc(CNC(=O)CCCc2ccccc2)ccc1Cl,-1.4587382078170776
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0717082023620605
CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.311849594116211
O=S1(=O)CC[C@H](Cc2nc(Cc3ccccc3)no2)C1,-1.5565065145492554
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1282551288604736
CC(C)Oc1ccc(CCC(=O)N2CCC[C@H]([NH3+])C2)cc1,-1.5106271505355835
O=C(NCc1ccc(Br)cc1)[C@@H](O)CCc1ccccc1,-1.4792628288269043
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cn1,-1.1078979969024658
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,-0.7744393944740295
O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC12CCOCC2,-1.4760782718658447
Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.387369990348816
O=C(c1ccc(O)cc1)N1CC[NH+](CCC2CCCCC2)CC1,-1.4886863231658936
O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2ccccc2)CC1,-1.0858865976333618
Cc1ccc(C(=O)NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1,-1.1406621932983398
O=C1C(=O)N(Cc2ccccc2)CCC1Nc1ccccc1,-1.521687626838684
CC(C)(O)C[NH2+]C1CCN(C(=O)Cc2ccccc2)CC1,-1.5638251304626465
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2921793460845947
c1ccc(-n2ccnc2CNCc2cccs2)cc1,-1.5692179203033447
CC(C)C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1,-1.0139700174331665
O=Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,-1.5430630445480347
C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCC3)CC1,-1.3250176906585693
C[C@H](CC(=O)NCc1ccc(Br)cn1)c1ccc(Cl)cc1,-0.9662415981292725
O=C(N[C@H]1CCO[C@@H]1c1ccc(F)cc1)N1CC[C@H](F)C1,-1.1306557655334473
[NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2)CC1,-1.278215765953064
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0761970281600952
COc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1,-1.5641732215881348
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.2429193258285522
O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Br)CC1,-0.8298578858375549
Cc1ccc(OCc2nnc(-c3ccc(F)cc3)n2C)cc1,-0.9316138625144958
O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5139663219451904
Cc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)n(C)n1,-0.854648768901825
Clc1cc(OC2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.2915432453155518
O=C(c1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.361393928527832
C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0771470069885254
Cc1ccc(C2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc1,-0.581488311290741
Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.0360733270645142
CN(C(=O)N1CCC(c2ccccc2)CC1)c1ccc(N)cc1,-1.0858373641967773
O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.351511001586914
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8849983811378479
[NH3+]c1ccccc1CNC(=O)Cc1ccc2c(c1)OCO2,-1.4165598154067993
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2o1,-1.0409866571426392
c1ccc(C[NH+]2CC[C@H]3OCC[NH+](Cc4ccccc4)[C@H]3C2)cc1,-1.4938955307006836
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0659667253494263
CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1,-0.8503281474113464
Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5008550882339478
NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccccc2)c1,-1.10169517993927
Cc1ccc(NCc2ccc(O)cc2)c(C2CCCCC2)c1,-1.2625418901443481
O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CCc2ccccc2C1,-1.2088876962661743
C[C@@H](C(=O)NCc1ccc2c(c1)CCO2)[NH+]1CCCCC1,-1.3357809782028198
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0503443479537964
CC(C)CCNC(=O)c1ccc(-c2nc3ccccc3o2)cc1,-1.055820345878601
Nc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1cccc(F)c1,-1.163907527923584
C[NH+]1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1,-0.9454689621925354
Cc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1,-1.5320403575897217
c1ccc(-c2nnc(NCc3ccc4c(c3)CCO4)s2)cc1,-1.0142406225204468
Brc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9564725160598755
O=C(N[C@H]1CCCC[C@@H](c2ccccc2)C1)c1ccc(O)cc1,-1.3515713214874268
O=C(N[C@H]1CC12CCOCC2)[C@@H]1CCC[C@H](c2ccccc2)C1,-1.3788055181503296
O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2176227569580078
Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0854237079620361
C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6721653938293457
O=C1C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CCN1,-1.0343042612075806
O=C(c1cc(Cl)ccc1F)N1CCC(Cc2ccccc2)CC1,-0.9267681241035461
O=C(NC[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1,-0.8783913254737854
CC1CN(C(=O)c2ccc(C#N)cc2)CCN1c1ccc(F)cc1F,-0.4855251610279083
C[NH+]1CC[C@@H](NC(=O)c2ccsc2-c2ccc(Cl)cc2)C1,-0.9442815780639648
Fc1ccc(CNc2nnc(-c3ccc(F)cc3Cl)s2)cc1,-0.5420454144477844
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2921799421310425
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895900249481201
O=C(N[C@H]1C[C@@H]2CCCC[NH+]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.80809086561203
O=C(NC[C@H]1C[C@@H]1C1CCOCC1)c1ccc(Cl)c(F)c1,-0.8920682072639465
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1953011751174927
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1O,-0.9147418141365051
Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3334354162216187
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2279516458511353
Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.0610153675079346
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400218725204468
CS(=O)(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1,-1.0387256145477295
Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.7954387664794922
Cc1ccccc1C(=O)N1CC[NH+](C[C@H]2CCC[NH+](C)C2)CC1,-1.253304123878479
CN(C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1CC[C@@H]2CCC[NH+]2C1,-0.8791627287864685
COc1ccc(N2CCN(C(=O)c3ccc(C)cn3)CC2)cc1,-1.1753895282745361
O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6334880590438843
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.946968138217926
CC1(C)CN(CCCNC(=O)c2cccc(F)c2)CCS1,-1.2973442077636719
O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1,-1.610111951828003
Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2045819759368896
O=C(NCC(O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1,-0.8140722513198853
O=C(NCC[NH+]1CCOCC1)c1cc(=O)oc2ccccc12,-1.4731143712997437
COc1ccccc1C(=O)NCc1ccc(Br)s1,-1.3212858438491821
Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0322113037109375
Cc1ccccc1C(=O)Nc1ccc(N2CCC([NH3+])CC2)cc1,-1.103395938873291
O=C(Cc1ccc(C(=O)O)cc1)Nc1ccc(F)cc1,-1.517417550086975
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-1.0992201566696167
Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.6714484095573425
O=C(CCc1ccccc1)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.539851427078247
C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCCO1,-1.4215092658996582
CCOc1ccc(NC(=O)c2ncoc2C)cc1,-1.6127259731292725
C[C@@H]1COCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.4186471700668335
O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(Br)cc1,-1.0354113578796387
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1658122539520264
Cc1ccc(F)c(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1,-1.1354924440383911
O=C(N[C@@H]1CCC2(CC2)C1)c1ccc(-c2nn[n-]n2)cc1,-1.057714581489563
CN1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1765271425247192
O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(O)c1,-1.4433056116104126
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1805877685546875
O=C(c1cc(O)c(O)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.5443228483200073
O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1200008392333984
O=C(Nc1ccnn1-c1ccccc1)c1ccc2ccoc2c1,-1.1366735696792603
O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1,-1.2567087411880493
CC1(C2CCCC2)C[C@H](CNC(=O)c2ccccc2Cl)O1,-1.3491132259368896
Fc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1,-1.427920937538147
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700074434280396
C[C@H]1C[NH+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+],-1.4481266736984253
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9491291046142578
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8910419344902039
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1497560739517212
O=C(N[C@H]1CC[C@H](F)C1)c1cc[nH]c1-c1ccc(Cl)cc1,-0.9403020739555359
Brc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0538194179534912
CS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1,-1.2234742641448975
Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(N)c1,-1.1560876369476318
O=S1(=O)CCC(N=C(O)Cc2ccc(Oc3ccccc3)cc2)C1,-1.4648562669754028
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2n[nH]nc2c1,-0.9143162369728088
Cc1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.1137303113937378
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1501119136810303
O=C(NCC1CC1)N1CC[C@@H](c2ccccc2)C1,-1.6155331134796143
Oc1nc(Cc2ccccc2)nc(Nc2ccc(I)cc2)n1,-0.9161638617515564
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(I)c1,-1.0076390504837036
O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6721957921981812
Cc1ccc(CNC(=O)C[NH+]2CCO[C@H]3CCC[C@@H]32)cc1,-1.4789068698883057
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0649107694625854
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.3869993686676025
C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(F)c2)C1,-1.3039283752441406
C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.3003865480422974
CC(C)c1cccnc1C(=O)N1CCC(c2ccccc2)CC1,-0.9583079814910889
O=C(Nc1ccnn1-c1cccc(F)c1)N1CC[C@@H](F)C1,-0.9499367475509644
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0738900899887085
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066701173782349
Cc1cc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.9413502812385559
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0782502889633179
Cc1ccccc1NC(=O)c1ccc(F)c(N2CCOCC2)c1,-1.0599743127822876
Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.136948585510254
O=C(c1ccc(S)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1,-1.0846484899520874
CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1,-1.1006885766983032
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.08975088596344
N#Cc1ccc(-n2nncc2NC(=O)c2ccccc2)cc1,-1.20401930809021
Cc1nc(C(=O)NCc2cc(F)c(F)c(F)c2)cs1,-0.7862741947174072
Nc1ccc(CNC(=O)c2ccc3c(c2)CCCO3)cc1,-1.2814648151397705
O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419068574905396
Cc1ccc(-c2ccc(COc3ccc(Br)cc3)cc2)cc1,-1.2589267492294312
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)C1CCCCCC1,-1.1069759130477905
Cc1cc(NCc2ccc(F)cc2)ccc1N1CCCCC1,-1.2905200719833374
O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0888400077819824
Cc1cccnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9323023557662964
CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CC[C@H](c2ccccc2)C1,-0.847518801689148
COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.0025473833084106
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299247026443481
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.2543964385986328
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.746401846408844
O=C(NCc1cc2ccccc2s1)C1CCC2(CC1)CC2,-1.1858837604522705
O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9477458596229553
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.212881326675415
COc1cccc(C(=O)N[C@H](C)c2ccccc2F)c1,-1.3098183870315552
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.299592137336731
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053722620010376
Cc1ccc(OCC(=O)Nc2ccc(Br)c(F)c2)c(C)c1,-0.9609326720237732
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9869025945663452
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(F)cc1,-1.6026746034622192
Fc1ccc(C2CCCC2NCc2cc(F)ccc2Cl)cc1,-0.7430697679519653
CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.118223786354065
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1297595500946045
O=C(O)c1csc(C2CCCN(C(=O)c3ccccc3)C2)n1,-1.0255903005599976
O=C(O)CN1CCC(CN2CCN(c3ccccc3)CC2)CC1,-1.474892497062683
Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1C,-1.1596136093139648
Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3849297761917114
O=C(CSC1CCCCC1)NCc1ccccc1,-1.671639323234558
C[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCOC2)C1,-1.6526809930801392
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4210461378097534
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1187142133712769
CCN=C(O)Cc1ccc(C(=O)NC2CCCC(C)C2)cc1,-1.3081462383270264
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3015307188034058
CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.119759202003479
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1946296691894531
O=C(N[C@@H]1CC[C@@H](F)C1)[C@H]1CCN(c2cccc(Br)c2)C1,-0.9381797313690186
Brc1ccccc1-c1ccc(NCc2nc3ccccc3o2)cc1,-1.0025697946548462
O=C1CCC[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1,-1.3282735347747803
Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-0.9387003779411316
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0572383403778076
Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5311135053634644
Cc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cn1,-1.0818517208099365
O=C(Cc1ccc(Cl)cc1)NC1(c2ccccc2)COC1,-1.5243134498596191
O=C([C@H]1CCCC[C@H]1c1ccccc1)N1CCC(C2CC2)CC1,-1.0071702003479004
Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)n[nH]1,-0.6017503142356873
Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(F)nc2)cc1,-1.306732177734375
O=C(Cc1ncccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.117232322692871
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3003021478652954
O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7643330097198486
O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.681835412979126
O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0675568580627441
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0630384683609009
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.056321620941162
CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5985357761383057
O=C(NC1CC(O)C1)N1CCC(c2ccc(Cl)cc2)CC1,-1.1188371181488037
O=C(c1ccc(I)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0159459114074707
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.046480655670166
CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2707446813583374
CC(C)(C)[C@H](NC(=O)CC1CCOCC1)c1ccccc1,-1.5407304763793945
Cc1cccc(C(=O)Nc2nnc(-c3ccc(C)s3)s2)c1,-0.8162305951118469
Cc1ccc(C(=O)NCC2CCC3(CC2)OCCO3)cn1,-1.5406540632247925
CC(C)[NH+]1CC(CNC(=O)c2ccccc2F)C1,-1.3585141897201538
CCC(C)(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5367121696472168
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4671090841293335
Cc1ccc(OCC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2717500925064087
Nc1ccc2c(C(=O)NCCCc3ccccc3)cccc2c1,-1.201321005821228
C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1530426740646362
O=C(NCc1cccc(N2CCOCC2)c1)C1=COCCC1,-1.5333377122879028
Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.4595061540603638
Cc1ccc(C(=O)NC2CC[NH+](S(C)(=O)=O)CC2)s1,-1.3996186256408691
C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0043349266052246
C=CCCOc1ccccc1CNC1CCCCCC1,-1.6279650926589966
CCOC(=O)c1ccc(N2CC(=O)Nc3ccccc32)cc1,-1.1208579540252686
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502877712249756
Cc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.4158029556274414
Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.8828597068786621
O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4394514560699463
Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6007084846496582
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1218150854110718
CC(C)(C)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6362649202346802
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cn1,-0.9358039498329163
CC(=O)Nc1ccc(C[NH+]2CCC3(CCCCC3)C2)cc1,-1.5714408159255981
Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)[nH]1,-0.8514672517776489
O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874203205108643
N#C[C@@H](CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1,-1.2896300554275513
CCOc1ccc(NC(=O)N2CC[C@H](O)C2)cc1,-1.6973320245742798
O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.1593701839447021
O=C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1,-1.3127268552780151
Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCC[C@H]3C2)cc1,-1.4458329677581787
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2159606218338013
Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2427091598510742
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.4164639711380005
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0589320659637451
Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.2891780138015747
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Br)cc2)CC1,-0.8179431557655334
O=CNC1CCN(c2ccccc2)CC1,-1.7648590803146362
Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1,-1.1312357187271118
Cc1ccc(Oc2ccc(C(=O)N3CCCC3=O)cc2)cc1,-1.3121966123580933
Cc1cccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1,-1.2164688110351562
Cc1ccc(-c2ncsc2NC(=O)c2ccn(C)n2)cc1,-1.0540627241134644
Nc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0178143978118896
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0176347494125366
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)ccc1F,-1.0697367191314697
O=C(c1ccc(F)cc1Br)N1CCC[C@@H](Cc2ccccc2)C1,-0.9272783994674683
CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.317325234413147
c1ccc(-c2ncsc2C[NH+]2CCN(C3CCCCC3)CC2)cc1,-1.0528674125671387
Cc1oc(-c2ccc(Br)cc2)nc1C[NH2+][C@@H]1CCCC[C@H]1C,-0.7258241772651672
O=C(Nc1ccc(O)cc1)c1cccc(N2CCCC2=O)c1,-1.27224862575531
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1169987916946411
CCCOc1ccc(C(=O)NCC(C)(C)C)cc1,-1.6527303457260132
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.1077179908752441
O=C(Cc1ccc(F)cc1F)NCCc1ccc(F)cc1,-1.1374105215072632
CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.6324222087860107
CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.369704008102417
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)o1,-1.1891505718231201
Cc1nocc1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-1.0423845052719116
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.2687106132507324
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.190745234489441
C[C@@H]1CN(C(=O)NCCc2ccc(Cl)c(Br)c2)CCCO1,-1.0442302227020264
Cc1ccncc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8626919388771057
c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5859153270721436
Cc1cnccc1C(=O)N1CCC(O)(Cc2ccccc2)CC1,-1.355983853340149
NC(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1,-1.0759505033493042
Cc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.502867579460144
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5320298671722412
Cc1cc(F)ccc1CNC(=O)CCc1ccc(Br)cc1,-1.2241933345794678
O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.1974828243255615
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2020725011825562
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.10982346534729
Clc1ccc(CNc2cc(Cl)ccc2N2CCCCC2)cc1,-0.9279584288597107
O=C(Nc1ccc2nn[nH]c2c1)c1ccc(-c2ccon2)cc1,-1.06133234500885
CCC(C)NC(=O)c1cnc(-c2ccc(F)c(Br)c2)cn1,-0.597707211971283
O=C(NCCN1CCCC1=O)c1ccc2c(c1)CCCCC2,-1.16225266456604
O=C(NCc1ccccc1)C(=O)c1ccc(F)c(F)c1,-1.2863527536392212
O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.2096192836761475
O=C(NCc1ccc(Br)c(Cl)c1)c1cc2ccccc2s1,-0.8271430134773254
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9716595411300659
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678352355957031
O=C(Cc1ccsc1)Nc1nc(-c2ccc(F)cc2)cs1,-1.121794581413269
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2625199556350708
O=C(CCOc1ccccc1)Nc1ccc2c(c1)OCO2,-1.6228257417678833
O=C(Cc1ccc2sccc2c1)NCc1cccc(Cl)c1,-1.293440818786621
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(F)c1,-1.5059559345245361
C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1,-1.3002063035964966
O=C(c1ccc(O)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-1.056172490119934
CC(C)C(=O)NCc1ccc(N2CCN(C)C2=O)cc1,-1.2904701232910156
O=C1Cc2cc(NC(=O)NC3CCCCC3)ccc2N1,-1.3975627422332764
c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)cs2)cc1,-1.318487524986267
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.194410800933838
O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2)n1,-1.0727778673171997
CCCCCN1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1,-1.2537034749984741
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3500996828079224
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8071308135986328
Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.971051812171936
Cc1cc(F)c(F)cc1-c1nc(COc2ccccc2)no1,-0.8935282230377197
CCCCC(=O)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5349314212799072
CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(N)cc1,-1.5793768167495728
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324644327163696
Cc1cc(NC(=O)c2cccs2)n(-c2ccc(O)cc2)n1,-1.0998269319534302
COc1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)cc1,-1.4731104373931885
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9371998310089111
Cc1ccc(Br)cc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9314711093902588
CC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1,-1.3553301095962524
O=C1OCCCC(=O)N2CCC1CC2,-1.6888214349746704
c1ccc(-c2ncc(CNCC3CCCO3)s2)cc1,-1.5646616220474243
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.976948082447052
O=C1CCCN1c1ccc(F)cc1,-1.741579532623291
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536034107208252
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.429129958152771
CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.239648461341858
O=C(c1ccncc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.2513058185577393
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(Cl)c[nH]1,-0.9888489246368408
CC(C)C1CCN(C(=O)[C@@H]2CCO[C@H](c3ccccc3)C2)CC1,-1.266097068786621
Cc1ccc(C(=O)N2CCC[C@H](c3ccc4cc(C)ccc4n3)C2)cc1,-0.5940604209899902
CCOC(=O)C(=O)Nc1ccccc1N(C)C,-1.6334688663482666
C[C@H](O)CNC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1,-1.061397910118103
O=C(Cc1ccccc1)NCc1nc2ccc(F)cc2[nH]1,-1.173186182975769
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0208574533462524
O=C1CCC[C@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.346480131149292
CCOc1cccc(C(=O)N2CCC(C3CCOCC3)CC2)c1,-1.332919716835022
O=C(N[C@H]1CC[C@H]2CCC[NH+]2C1)c1scnc1C1CCCCC1,-0.8348026871681213
O=C(c1ccc(O)cc1F)N1CCC(Oc2ccccc2)CC1,-1.1868535280227661
Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1I,-1.085582971572876
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2594984769821167
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cccc(F)c1,-0.7971132397651672
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)n[nH]1,-1.0971709489822388
CC[NH+]1CCN(C(=O)Nc2ccc(OC)cc2F)CC1,-1.2943779230117798
Cc1cccnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0389577150344849
O=C(OCc1ccccc1)c1ccccc1,-1.7852061986923218
O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5419374704360962
O=C(c1cc(F)ccc1F)N1CCC(Cc2ccccc2)CC1,-1.0054091215133667
CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2)C1,-1.3014450073242188
Fc1cccc([C@@H]2C[C@H]([NH2+]Cc3ccc(I)cc3)CCO2)c1,-1.156691074371338
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-0.9357609748840332
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.3727521896362305
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092353343963623
CC(C)(C)[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCO1,-1.1965535879135132
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.3929696083068848
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCCCC1,-0.9832133650779724
O=C(NC1(c2ccc(O)cc2)COC1)c1ccc(F)cc1,-1.4606633186340332
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961294889450073
Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.102967619895935
Fc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1,-0.7805825471878052
O=C1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCN1,-1.3460874557495117
O=C(NCc1c(F)cc(F)cc1F)c1ccc(F)cc1F,-0.43703508377075195
O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.0817656517028809
COc1ccc(CNC(=O)c2cnc(Cl)s2)cc1,-1.3883039951324463
Oc1ccc(CC2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.4993085861206055
O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2239402532577515
CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.5365489721298218
COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.171021819114685
COc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.270655870437622
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1902670860290527
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.673647165298462
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.6227128505706787
CC(C)C(C)(C)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.2729480266571045
COCC[NH+]1CCC(NC(=O)c2ccccc2Br)CC1,-1.4301464557647705
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.0878888368606567
Cc1ccc(NC(=O)[C@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.0232230424880981
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4946098327636719
C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Br)c1,-1.2717933654785156
O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0225657224655151
C[C@@H]1CCN(c2ccccc2)C1=O,-1.7701178789138794
[NH+]c1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.985027551651001
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324684858322144
COc1ccc(C(=O)N[C@H]2CCOC3(CCCCCC3)C2)cc1,-1.5151071548461914
Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1,-1.1370633840560913
CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3401654958724976
Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3142836093902588
COc1ccc(C(=O)NCCCc2ccccc2)cc1,-1.6243942975997925
O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ccc2c1,-1.3198280334472656
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0630444288253784
CC(C)(C)NC(=O)N1CCN(c2ccc(Cl)cc2F)CC1,-0.7839203476905823
C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9213700890541077
C[C@@H](O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.3110649585723877
CC1CCCCN1CC1CCCN(C(=O)c2ccc(F)cc2)C1,-0.9830161333084106
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4231821298599243
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0007256269454956
c1ccc(CN2CCC3(C2)C[NH+](CC2CCCCC2)C3)cc1,-1.6030287742614746
Cc1nc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n[nH]1,-1.1731388568878174
Cc1ccc(OCc2ccc(-c3ccccc3)c(Br)c2)cc1,-1.210703730583191
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.2911269664764404
COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5758687257766724
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.0689069032669067
CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(F)cc1Cl,-0.6353062391281128
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3O)c2)CC1,-1.186231255531311
O=C(NC[C@H]1CCCOC1)Nc1ccc(Br)cc1,-1.5673781633377075
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1Br,-0.8262853026390076
Nc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)cc1F,-1.0454843044281006
O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.390444278717041
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1430367231369019
O=C(NC[C@H](O)c1ccccc1)c1ccc(F)c2cccnc12,-0.932086169719696
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689064621925354
Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.2131799459457397
C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0024229288101196
C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3O)CC2)CC1,-1.0981067419052124
CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9506964683532715
CCCCCc1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)no1,-1.2105650901794434
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1,-0.9984647631645203
CC(C)(C)OC=O,-2.1325902938842773
CC(C)(O)CNC(=O)N1CCC[C@@H](c2ccc(Br)cc2)C1,-1.2469626665115356
O=C(NC1CCCC1)[C@@H]1CCCN(c2nc3ccccc3s2)C1,-0.844214677810669
O=C(c1csc(Cc2ccccc2)n1)N1CCc2sccc2C1,-0.8457788825035095
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2777403593063354
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4702709913253784
Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)o3)CC2)o1,-1.4463319778442383
CCc1ccc(CNC(=O)c2cnc(Br)s2)cc1,-1.1878077983856201
O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(F)c1,-1.4143798351287842
CCNC(=O)c1ccccc1N1CCC2(CCN(C)C2)C1,-1.3035365343093872
Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,-1.5210230350494385
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.123870611190796
O=C(Cc1nc2cc(Br)ccc2[nH]1)NCc1ccccc1,-1.1010150909423828
c1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCO3)cc1,-1.4297864437103271
O=C(Nc1ccc(Cl)cc1O)N1CCN(c2ccccc2)CC1,-1.0288716554641724
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.1902137994766235
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1197935342788696
Cc1ccc(N(C)Cc2nc(-c3ccc(F)cc3)no2)cc1,-1.030686616897583
Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9811525940895081
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8776261210441589
CC(CC(=O)N1CCN(Cc2ccccc2)CC1)n1cccn1,-1.3984742164611816
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1,-1.0045061111450195
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3C)C2)cn1,-1.016744613647461
C[NH+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0361369848251343
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389453172683716
Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.011100172996521
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2754884958267212
COc1ccccc1CNC(=O)c1ccc(C)s1,-1.5514166355133057
[NH2+]=C(O)CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,-1.4802186489105225
Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1066455841064453
Oc1ccc(CNc2ccc(-c3cccc(Cl)c3)cc2)cc1,-1.2654414176940918
Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl,-0.933297336101532
Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9475672841072083
Cc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1,-1.0601450204849243
C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0657439231872559
O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.4853798449039459
O=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.2409260272979736
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9749200940132141
O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2F)CC1,-1.0071841478347778
CC(C)(O)CC(=O)NCc1nc(-c2ccc(Cl)cc2)cs1,-1.10260009765625
Cc1ccc(CN2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.456870675086975
Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl,-1.4576160907745361
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641974449157715
CC1(C)CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CCO1,-1.527279019355774
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0842305421829224
Cc1ccccc1CNC(=O)c1cc2n(n1)CC[NH+](C)C2,-0.9688371419906616
C[NH+]1CCC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1,-1.1129863262176514
O=C(NCCc1ccccc1)c1cc2c([nH]c1=O)CCCC2,-1.1355208158493042
O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(F)cc1,-1.5461498498916626
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0055606365203857
C[C@H]1CCCCN(C(=O)Nc2ccccc2N2CCOCC2)C1,-1.4778082370758057
O=C(c1cccc(O)c1)N1CCN(CCc2ccccc2)CC1,-1.467091679573059
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1776914596557617
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-1.050143837928772
Clc1ccc(OCc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.1063940525054932
Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C)CC2)cc1,-1.013267993927002
Nc1ccc(OCCCOCc2ccccc2)cc1,-1.6965523958206177
Cc1cccc(CNC(=O)C[C@H]([NH3+])c2ccc(Br)cc2)c1,-1.2399975061416626
Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2c2ccccc2)cc1Cl,-1.1188459396362305
CN(C)c1ccc(NC(=O)[C@@H]2CCC3(CCCC3)C2)cc1,-1.373350739479065
Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095354318618774
Cc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC(C)C,-1.2792754173278809
C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC2(CCOCC2)CC1,-1.5079455375671387
CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1,-1.2362841367721558
COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.0724605321884155
Fc1cccc(CNc2cc(Cl)nc(-c3ccccc3)n2)c1,-0.8785983920097351
Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)s1,-1.1125235557556152
CC(C)(O)Cc1ccc(NC(=O)c2ccc(N)cn2)cc1,-1.4054545164108276
CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)N1,-1.4542280435562134
Cc1cnc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)s1,-1.0292128324508667
O=C(Cc1ccc(F)cc1)N[C@H]1CCN(C2CC2)C1=O,-1.1480755805969238
O=C(NCc1nc2ccc(Cl)cc2o1)c1cccc(F)c1,-0.9404210448265076
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.049463152885437
Nc1c(F)cccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.0627862215042114
Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6949134469032288
Fc1cccc(CN2CCC(Cc3ccc(Cl)cc3Cl)C2)c1,-0.8090755343437195
Cc1cc(C(=O)NC2CCN(c3cnn(C)c3)CC2)ns1,-0.8920347690582275
C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCCO1,-1.4319607019424438
C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9326296448707581
Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,-0.8413630723953247
Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@H]2C)cc1,-1.4649465084075928
Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3654035329818726
O=C(NC[C@H](O)Cc1cccc(O)c1)c1ccc(Br)cc1,-1.3988878726959229
C[C@H](NC(=O)c1ccc([NH3+])cc1)c1ccc2c(c1)OCO2,-1.2053061723709106
Cc1ccc(C(=O)NC[C@@H]2CCc3ccc(F)cc3O2)o1,-1.2032772302627563
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)ns2)on1,-0.7820327877998352
CSc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.4338723421096802
Fc1ccc(CN2CCCCC2)cc1,-1.7770299911499023
C[NH+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.4809061288833618
CC(C)c1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)no1,-1.0047783851623535
Cc1ccc(N=C(O)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1,-1.0460972785949707
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2059357166290283
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.3309837579727173
O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6786375045776367
Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(N)c2)cc1,-1.4848227500915527
Fc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.3217109441757202
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1981440782546997
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0445361137390137
CN1CCN(c2cc(F)ccc2CNc2ccccc2)CC1,-1.1947429180145264
C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2914263010025024
O=C1NCc2ccc1o2,-1.951429843902588
Cc1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cn1,-0.9862402677536011
O=C(c1ccc(F)cc1F)N1CC[NH2+]C[C@H]1Cc1ccccc1,-1.0622358322143555
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1,-1.4336507320404053
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1428394317626953
CCc1cc(O)ccc1C(=O)N1CCN(c2ccccc2)CC1,-1.099695086479187
O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.8719111084938049
CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1F,-0.9054935574531555
Cc1cc(NC(=O)Cc2cccs2)n(-c2ccccc2)n1,-1.3323992490768433
Cc1ccc(F)cc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1845417022705078
CCCCC(=O)Nc1ccccc1NC(=O)C(C)(C)C,-1.5507628917694092
CC(C)N1CC[NH+](CCN)CC1,-1.7957175970077515
O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-0.9600318670272827
Nc1cccc(N2CCC(C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC2)c1,-0.915059506893158
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700804233551025
Oc1nc(CSc2ccccc2)nc(-c2ccc(F)cc2)n1,-0.8728635311126709
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0323485136032104
Cc1ccc(F)cc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.0338482856750488
Cc1ccccc1OC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1401809453964233
CC(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4447734355926514
Cc1ccc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1,-0.9673261642456055
O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)ccn1,-0.8677745461463928
O=C(Nc1ccccc1)C(=O)N1CCC(n2cncn2)CC1,-1.3184202909469604
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1635878086090088
C[C@H]1C[NH+](Cc2cccc(O)c2)CCN1Cc1ccccc1,-1.4876502752304077
Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0082098245620728
CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.117847204208374
CC(=O)c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1,-0.8583088517189026
O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.0858110189437866
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1135064363479614
Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9856328964233398
C[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccc(Br)cc1,-0.8953137397766113
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.254690170288086
COc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1,-1.5177264213562012
Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0140280723571777
Cc1ncccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9003767371177673
Oc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3890806436538696
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2052663564682007
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3806135654449463
COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1,-1.3014469146728516
CC(C)(C)OC1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1,-0.930884063243866
CCOC(=O)[C@H](C)CC(=O)N1CCN(C2CCCCC2)CC1,-1.3453705310821533
CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.1065505743026733
O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.8873133659362793
CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984001398086548
Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCCCC3)CC2)o1,-1.467167615890503
Cc1ccccc1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1,-1.138568639755249
CCc1ccc(CNc2cc(C)nc(CC)n2)cc1,-1.3220258951187134
CCc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1,-1.1279611587524414
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccn3)cc2)C[C@H](C)O1,-1.506117582321167
O=C(C[C@@H]1CCN(c2ccccc2)C1=O)Nc1ccccc1,-1.4955564737319946
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1815471649169922
C[C@@H](N=C(O)COCc1ccccc1)C(=O)c1ccccc1,-1.549566388130188
CC1([NH2+]Cc2cccc(F)c2)CCN(c2ccccc2)CC1,-1.5283414125442505
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1701960563659668
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9280860424041748
Cc1nnc(SCc2cccc(F)c2O)n1-c1ccccc1,-0.7844992876052856
COc1ccc(C(C)NCc2ccc(F)cc2)cc1,-1.5221326351165771
Cc1cc(NC(=O)C(=O)NC2CCCCC2)ccc1N,-1.327072024345398
C[NH+]1CCN(c2ccccc2OCc2ccc([O-])cc2)CC1,-1.3954441547393799
Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1069655418395996
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.9796374440193176
O=C(NCc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1,-1.0142573118209839
C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9924541711807251
Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2362960577011108
O=C(Nc1ccc(O)cc1)[C@H]1CCCN(c2ccccc2Cl)C1,-0.9904725551605225
Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)cc1,-1.0592342615127563
COc1ccccc1C(=O)NCc1ncc(C)s1,-1.515021562576294
CC(C)(N=C(O)COC(=O)c1ccccc1)c1ccccc1,-1.533759593963623
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4149516820907593
CC(CC(=O)N1CCN(CC2CCCO2)CC1)c1ccccc1,-1.472345232963562
CC(Cl)C(C)(C)Oc1cccc(C(=O)N2CCCCC2)c1,-1.45995032787323
O=C(Nc1cccc(F)c1)c1cccc(N2CCOC2=O)c1,-1.2496613264083862
O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2o1,-1.041197657585144
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0706846714019775
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4670617580413818
O=C(Cc1csc(-c2ccc(Br)cc2)n1)NC1CCCC1,-1.152422308921814
Oc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.3641318082809448
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0682423114776611
CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(Br)cc2)C1,-1.255868911743164
C[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(F)(F)F,-0.6869071125984192
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.462525486946106
Cc1nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2o1,-0.9860424995422363
O=C(NCc1ccc2c(c1)CCCC2)c1ccc(O)nc1,-1.1830981969833374
O=C(NC[C@@H](O)Cc1ccc(I)cc1)c1cccc(F)c1,-1.2439216375350952
O=C(c1ccc(F)cc1)N1CCCC(C(O)=NCc2ccccc2)C1,-1.0730496644973755
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0412399768829346
O=C(Cc1ccccn1)N[C@H]1CCN(c2ccccc2)C1=O,-1.3436874151229858
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9028963446617126
C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[NH+]1C1CCCCC1,-1.1342192888259888
O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[S+]([O-])CC1,-1.3933771848678589
CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1120959520339966
CN1CC[NH+](CCC(=O)NCCc2ccc(Cl)cc2)CC1,-1.528417706489563
C[NH+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1,-1.3489161729812622
O=C(NCc1ccccc1)N1CCC[C@H](C2CCCCCC2)C1,-1.4716805219650269
C[C@H]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1402785778045654
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)nc1,-0.8934482932090759
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1959794759750366
COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1330373287200928
Nc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9607429504394531
O=C(Nc1nc2ccccc2o1)c1ccc(-n2cncn2)cc1,-1.063103199005127
Cn1cc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)cn1,-1.4708818197250366
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.975429356098175
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3474814891815186
CC(C)([NH3+])CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.5502731800079346
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@H]1O,-0.9746068120002747
O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1556411981582642
CC(C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1,-1.5523484945297241
Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.356665849685669
Cc1ccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1,-1.660062551498413
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4723236560821533
O=C(NC1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750837326049805
CCOc1cccc(CN(C)c2ccc(C)cc2)c1,-1.5968314409255981
O=C(N[C@@H]1CCCC[C@@H]1c1cccc(F)c1)c1ccncc1O,-0.9357423186302185
Cc1ccc(CNCCc2ccc(Cl)cc2)s1,-1.605815052986145
Cc1ccccc1N1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1,-1.0435740947723389
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-0.9887130260467529
Cc1nc(CCC(=O)Nc2ccc(C(N)=O)cc2)cs1,-1.3705941438674927
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1,-1.2780401706695557
O=C(O)c1ccsc1-c1ccc(C(=O)N2CCOCC2)cc1,-1.1739000082015991
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0697139501571655
Cc1ccc(C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1,-1.3095850944519043
Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1362648010253906
O=C([C@@H]1CC12CCCCC2)N1CCC[C@@H](Oc2ccccc2)C1,-1.4619334936141968
Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8748199343681335
Cc1ccccc1NC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.0740107297897339
COC1CCC(N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1,-1.1704505681991577
O=C(Nc1cc(F)ccc1Cl)C1CCN(c2ccccc2)CC1,-0.891935408115387
Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0253334045410156
C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)C(C)(C)C)cc1,-1.4737989902496338
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-1.0731890201568604
Cc1cc(O)ccc1C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1,-0.9868600964546204
Clc1cccc(-c2ccc(Cl)cc2OCc2ccccc2)c1,-1.2273541688919067
Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1,-1.0670109987258911
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636375188827515
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2640165090560913
Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1Cl,-1.137067437171936
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.339000940322876
C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)CC[C@H]1c1ccccc1,-0.9751559495925903
Cc1ccc2nc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2c1,-0.5072109699249268
Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.8441826105117798
C[NH+]1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1,-1.1471587419509888
O=C(N[C@@H]1CCC(F)(F)C1)c1scnc1-c1ccccc1,-1.0135446786880493
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0868462324142456
C[C@@H](O)COc1ccc(C(=O)N2CCC3(CCC3)C2)cc1,-1.5401270389556885
Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2[nH]1,-0.9509948492050171
O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1,-0.9578112363815308
Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.0950332880020142
O=C(c1ncccc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.851241946220398
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.404228925704956
CC(C)CC(=O)N1CCC(CNC(=O)C(C)(C)C)CC1,-1.4248188734054565
Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(C)n1,-1.0190616846084595
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431950330734253
Cc1cc(NCc2ccc([N])cc2)n(-c2ccccc2F)n1,-0.9119705557823181
Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C2CCOCC2)c(F)c1,-1.031817078590393
CCOc1ccc(NC(=O)c2cc(Br)cs2)cn1,-1.38142728805542
O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2cccc(O)c2)CC1,-1.5378046035766602
O=C(NC1CCN(c2cccc(F)c2)CC1)[C@H]1CCCC[C@H]1O,-1.0425602197647095
c1ccc(-c2nc(CNCC3CCCC3)cs2)cc1,-1.554395318031311
O=C(C[C@@H]1CCCCC1=O)N[C@@H]1CCC[C@@H]1c1ccccc1,-1.491503357887268
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3147780895233154
Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCCO3)CC2)c(C)c1,-1.1843576431274414
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844338417053223
O=C(N[C@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1O,-1.0033533573150635
Cc1nc2ccc(CNC(=O)c3cccc(O)c3)cn2n1,-1.0322318077087402
CC(C)(O)CC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1,-1.5982428789138794
O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.538242220878601
Cc1ccc(CNc2cc(-c3ccc(Cl)cc3)ncn2)cc1,-1.1080609560012817
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.0747404098510742
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0397568941116333
Fc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.1928441524505615
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4986363649368286
Cc1ccc(C(=O)NC[C@@](C)(O)Cc2ccccc2)cc1,-1.5881099700927734
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.029858946800232
O[C@H]1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC12CCCCC2,-0.9883043766021729
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1O,-1.1281284093856812
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1,-0.8521760106086731
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0722638368606567
CC1CCCC(CNCC(=O)NC2CCCC2)C1,-1.6425449848175049
CC1(C)CC[C@@H](NC(=O)c2csc(C3CCOCC3)n2)C1,-1.1477104425430298
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cn1,-1.5427848100662231
Cc1ccc(C(=O)NC(c2ccc(Cl)cc2)C(C)C)cc1,-1.1583749055862427
O=C(Nc1cnccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8035680651664734
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023149490356445
O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1c1ccccc1,-1.4973697662353516
Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2004822492599487
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)c(O)c1,-1.051835060119629
CC(C)(F)CC(=O)NC[C@@H]1CCC[NH+](C2CCOCC2)C1,-1.503763198852539
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0825060606002808
Cc1cc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-1.1228183507919312
O=C(N[C@@H]1CCCC[C@@H]1c1ncc[nH]1)c1cc2ccccc2o1,-1.0457631349563599
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413278579711914
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110813140869141
O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.0757817029953003
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.020459771156311
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1057510375976562
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1889313459396362
O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4047526121139526
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0393357276916504
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0617223978042603
Cc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0766745805740356
O=C(CCCOc1ccccc1)Nc1nc2ccc(Cl)cc2s1,-1.070851445198059
C[C@@H]1CCC[C@H]1NC(=O)c1ocnc1-c1ccc(F)cc1,-1.0335646867752075
Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0272997617721558
O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.088958740234375
c1ccc(Cc2nc(Cc3ccc4c(c3)CCO4)no2)cc1,-1.2980021238327026
COc1cccc(CN2CCN(C(=O)C3CCCCC3)CC2)c1,-1.365248203277588
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.2860546112060547
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4654024839401245
O=C(NC[C@H]1CCCCO1)N1CCC[C@H](CCCO)C1,-1.6167190074920654
Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5269320011138916
O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9789066314697266
CC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1,-1.4388742446899414
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934147596359253
Cc1ccc(N2CC(NC(=O)c3ccc(Br)cc3)C2)cc1,-1.0946483612060547
O=C(NC1CC(c2ccccc2)C1)N1CCc2ccccc2C1,-1.1132997274398804
C[C@H]1CCC[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1,-1.2635273933410645
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-0.9978129267692566
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1354570388793945
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.962367832660675
Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1,-1.3664509057998657
O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCOCC2)CC1,-0.9667811989784241
Cc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1Br,-1.191393494606018
Cc1ccc(NC(=O)C(=O)Cc2ccccc2)cc1C,-1.5224013328552246
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccn2c1,-1.0807361602783203
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.0744010210037231
Cc1ccc(CCC(=O)NC2CC[NH+](C(C)C)CC2)cc1,-1.5417671203613281
Oc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2988712787628174
C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4584630727767944
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0873345136642456
Cc1cccc(CC(=O)NCc2ccc3n[nH]cc3c2)c1,-1.2901105880737305
CCNc1ccccc1NC(=O)c1cc(C)on1,-1.5829426050186157
Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1,-1.4618383646011353
Cn1cc(CC(=O)Nc2nnc(C3CCCCC3)s2)cn1,-0.9774029850959778
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.264674186706543
O=C(NC[C@@H]1CCCO1)Nc1ccc(F)cc1Cl,-1.5437880754470825
CN(CCc1ccccc1)C(=O)c1cccc2c1CC(=O)N2,-1.283099889755249
CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9775181412696838
[NH3+][C@H](CC(=O)NCc1cc(Br)ccc1Cl)c1ccccc1,-1.045684576034546
Cc1ccc(C[C@@H](O)CNC(=O)c2cccc(O)c2)cc1,-1.5777406692504883
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9924413561820984
O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(F)cc1,-1.5255812406539917
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2736071348190308
CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.536376953125
CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5819646120071411
C[C@@H]1CN(C(=O)c2cccc3ccccc23)C[C@@H](c2ccc(F)cc2)O1,-0.8562765717506409
Cc1nc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cs1,-0.939837634563446
O=C(NCCc1ccc2c(c1)OCO2)c1ccc(Cl)nc1,-1.2719416618347168
Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2024033069610596
C[NH+]1CCN(CCCNC(=O)Cc2ccc(F)cc2)CC1,-1.5333223342895508
Cc1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1,-0.66159588098526
Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.3526840209960938
Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CCCF)C2)cc1,-1.2777541875839233
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nc2)cc1,-1.050701379776001
O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-1.0258874893188477
Nc1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.2209687232971191
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1855140924453735
CCCCC(=O)N1CCC(CNC(=O)C(C)(C)C)CC1,-1.5671392679214478
C[NH+]1CC[C@H](NC(=O)C2CC[NH+](CCC(C)(C)O)CC2)C1,-1.519283652305603
O=C(COc1ccccc1)N1CCC[NH+](C2CC[NH2+]CC2)CC1,-1.5006848573684692
C[NH+]1CCC(C(=O)N2CCC(Cc3ccccc3F)CC2)CC1,-1.1175682544708252
Bc1cc(C)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.105757713317871
Cc1ccc(NC(=O)C(=O)Nc2ccc(C)nc2)cc1,-1.4572739601135254
O=C(N[C@H]1CC12CCCC2)c1cccc(-n2cncn2)c1,-1.3028820753097534
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3575005531311035
[NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](c2ccc(Cl)cn2)CC1,-0.7901797890663147
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.037578821182251
Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)s1,-1.221452236175537
Cc1nc2ccc(CNC(=O)[C@@H]3CCC[NH+](C)C3)cc2s1,-0.8817611336708069
O=C(NCc1ccc(F)cc1)c1cc2cccc(Cl)c2o1,-0.9987561106681824
Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4728142023086548
Fc1ccc(CC[NH+]2CCN(Cc3ccco3)CC2)cc1F,-1.444933533668518
CCNc1cccc(NC(=O)c2ccn(C)n2)c1,-1.558268666267395
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1189051866531372
O=C(c1ccc(F)c(F)c1)N1CCN(c2cccc3cccnc23)CC1,-0.5096467137336731
Oc1cc(OCc2ccccc2)ccc1-c1ccc(F)cc1,-1.3383737802505493
CC(C)CCNC(=O)NCCc1ccc(Br)cc1,-1.515058994293213
Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.4739437103271484
Cc1cc(-c2cccc(CNc3ccccc3)c2)nc(C)n1,-1.057126760482788
COC(=O)c1ccc(CN[C@H]2CCN(C)C2)cc1,-1.6191904544830322
Cc1nn(C)cc1C(=O)Nc1ccc(N2CCCCCC2)nc1,-0.8991780877113342
CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1,-1.489924430847168
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2cccc(Cl)c2)o1,-1.2248828411102295
Nc1ccc(C[NH+]2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.2095729112625122
O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.7690760493278503
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2867920398712158
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.318261981010437
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0337755680084229
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1585094928741455
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8620840311050415
Cc1nnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1,-1.0237418413162231
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.2833938598632812
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.7200490236282349
Cc1ccccc1N1CCC(NC(=O)CN2CCOCC2)CC1,-1.4955308437347412
Clc1ccc(COC2CCCCC2)cc1,-1.721138834953308
Cc1cccc(OCC[NH+]2CCC[C@@H](c3noc(C)n3)C2)c1,-1.3186140060424805
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.6595319509506226
Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0823661088943481
CC(C)Oc1ccc(OCCN2CCNCC2)cc1,-1.6577972173690796
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5757735967636108
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4304072856903076
O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N1CC[C@H](O)C1,-1.1614192724227905
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.0906785726547241
Cn1cc2cc(C(=O)NCc3cccc(Cl)c3)ccc2n1,-0.9744382500648499
Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1,-0.9403954744338989
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9378271102905273
CC(C)(C(=O)NCc1ccc(Br)cc1Br)C1CCCCC1,-0.8134605288505554
CC(C)C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.0125744342803955
Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9673567414283752
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2O)CC1,-1.1313973665237427
Cc1cccnc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.1006361246109009
Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2s1,-0.8013616800308228
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212498426437378
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6714502573013306
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8945903778076172
Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-0.9840651750564575
Nc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2534563541412354
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.099770426750183
Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.193140983581543
Cc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0730448961257935
Cc1ccccc1C(N)=O,-1.899999976158142
Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1779588460922241
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0486774444580078
C[NH+]1CCN(c2ccccc2C(=O)N2CCC(CO)CC2)CC1,-1.0941603183746338
Cc1ccc(NC(=O)c2cccc(-c3ccccc3)n2)c(C)c1,-1.0023609399795532
Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2591967582702637
Cc1ccc(CNc2ccc(-c3ccccc3)c(C)n2)cc1,-1.1507564783096313
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.1143938302993774
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0012072324752808
O=C(N[C@H]1CCN(c2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1,-1.1309679746627808
CC(C)[C@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.235328197479248
CC1CCCN(CC(=O)NCCc2ccc(F)c(F)c2)C1,-1.0609115362167358
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.9065887331962585
CCc1nc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cs1,-0.5031613111495972
Cc1ccc(-c2ccc(NCc3ccc(Br)cc3)nc2)cc1,-1.0921019315719604
O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2nc[nH]c2c1,-0.9823984503746033
O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(O)c1,-1.1098647117614746
Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2048231363296509
C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.9005212783813477
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.034502625465393
Cc1ccc(F)c(C(=O)Nc2ccccc2N2CCOCC2)c1,-1.0660731792449951
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1742264032363892
Cc1cnccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.030713438987732
NCC(C(=O)N[C@H]1CC[C@H](c2ccccc2)C1)c1ccccc1,-1.3097944259643555
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.966961681842804
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9448142647743225
Cc1ccccc1N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1,-1.0439364910125732
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0750147104263306
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8333192467689514
O=C(NC1CC(F)(F)C1)c1ccc(-c2ccccc2)cc1,-1.2750027179718018
CC(c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.0081291198730469
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3481674194335938
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2ccc(F)cc2)CC1,-0.6257920265197754
O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2,-1.3058428764343262
Fc1ccc(N2CCC[C@H](CNc3ccc(I)cc3)C2)cc1,-1.0302196741104126
C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.5077614784240723
Cc1nc(-c2ccc(NC(=O)Cc3cc[nH]n3)cc2)no1,-1.27281653881073
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.9961389899253845
O=C(N[C@H]1CCCO[C@H](c2ccccc2)C1)c1ccc(O)cc1,-1.473785638809204
C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4593815803527832
O=C(NCCNc1ccc(Cl)cc1)c1cccs1,-1.5638779401779175
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2845091819763184
Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9593773484230042
Fc1ccc(OC2CC[NH+](Cc3ccc(F)cn3)CC2)cc1,-1.2330671548843384
O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.546532928943634
Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(F)c1,-0.9158205389976501
O=C(Cc1ccccc1Cl)N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1,-1.092987298965454
O=C(c1c(F)cc(F)cc1F)N1CCC(c2ccc(F)cc2)CC1,-0.4486536681652069
O=C(Nc1ccc(Cl)cc1F)c1cccc(N2CCOCC2)c1,-0.9672154188156128
C[C@H]1CN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC[NH2+]1,-1.124258041381836
O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.2750009298324585
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502541542053223
CC[C@@H]([NH3+])C(=O)N1CCC(OCc2cccc(F)c2)CC1,-1.3087836503982544
COc1ccc(C2(O)CCN(Cc3ccc(Cl)cc3)C2)cc1,-1.5052518844604492
C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(F)cc3)C2)C1,-1.127777099609375
Cc1cc(C)nc(CN2CCN(Cc3ccccc3)CC2)n1,-1.1309822797775269
CC(C)[NH+]1CCN(C(=O)N2CCC(c3ccccc3)CC2)CC1,-1.0611114501953125
Cc1ccc(O)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-1.1403472423553467
Cc1ccccc1C1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9496691823005676
CCOc1ccc(CNc2ccc(C)cc2Br)cc1,-1.4154529571533203
O=C(Nc1ncccn1)[C@@H]1CCCN(c2ccc(F)cc2F)C1,-0.7383341193199158
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.0842996835708618
Nc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.9996669888496399
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1694077253341675
O=C(NC[C@H](O)c1ccc(Br)cc1)c1ccc(F)c(F)c1,-0.9288367629051208
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100536823272705
O=C(c1ccc(F)cc1F)N1CCCC[C@@H]1Cc1ccccc1,-0.9587613344192505
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccncc1Cl,-0.9103578329086304
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5315361022949219
O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0384671688079834
O=C(N[C@H]1CCC(F)(F)C1)c1ccc(C2CCCC2)cc1,-1.1629596948623657
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cn1,-0.929063081741333
O=C(c1ccccc1)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-1.4747384786605835
O=C(N[C@@H]1CCO[C@H](c2ccccc2F)C1)c1cccc(Br)c1,-0.9835227131843567
Cc1ccc(N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9697375297546387
O=C(N[C@H]1CCCC[NH+]1C1CC1)c1ccc2c(c1)CCC2,-1.0556399822235107
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Br)cc2)CC1,-0.8289698958396912
C[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1,-1.5670746564865112
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2413239479064941
C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.078226089477539
O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cn1,-0.9048702120780945
O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.875430166721344
Fc1ccc(-c2cc(NCC3CCCCC3)ncc2F)cc1,-0.8911209106445312
CC(C)c1ccc(C(=O)N2CCN(CCC(=O)O)CC2)cc1,-1.1841645240783691
O=C(NC1CC(c2ccc(F)cc2)C1)[C@H]1CCC[C@H](F)C1,-0.9725298881530762
Cc1ccccc1C(=O)NC1CC[NH+](CCCCC(C)C)CC1,-1.4557849168777466
Cc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1,-1.6075481176376343
CC(C)[C@H](O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.431397557258606
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0430700778961182
COc1ccc(CNC(=O)c2cnc(Cl)s2)cc1,-1.2936002016067505
O=C(Nc1ccc(O)cc1Cl)N1CCN(c2ccccc2)CC1,-1.141312599182129
C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1735776662826538
CNC(=O)c1ccc2c(c1)CCCO2,-1.7201985120773315
O=C(COc1cccc(Cl)c1)N[C@H]1CC[NH+]2CCC[C@H]2C1,-1.2738646268844604
Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)o1,-1.0875076055526733
O=C(c1ccc(F)cc1)N1CCN(c2cc(F)c(F)c(F)c2)CC1,-0.37231457233428955
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1,-0.9665934443473816
Cn1cc(NC(=O)[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.193487524986267
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)no1,-1.1959714889526367
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1520413160324097
O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9595766067504883
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.0809898376464844
Cn1nc(Cl)c2ccc(C(=O)NCc3ccccc3)cc21,-1.0043402910232544
O=C(Nc1ccc(-n2cccn2)cc1)c1cn2ccccc2[nH+]1,-1.1872423887252808
Cc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.4110559225082397
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1C,-0.5473556518554688
CCc1nn(C)cc1C(=O)OCc1ccccc1,-1.5796598196029663
CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.1782257556915283
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1329152584075928
C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1891155242919922
O=C(N[C@@H]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1,-1.0168901681900024
Cc1ccc(OCCC(=O)Nc2ccc(C)cc2C)cc1,-1.495800495147705
C[NH+]1CCC(C(=O)NCC2CCC3(CCCO3)CC2)CC1,-1.5392102003097534
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9346361756324768
Cc1ccc(-c2ccccc2)nc1NCc1cccc(F)c1,-1.0788822174072266
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3621958494186401
O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4644451141357422
COc1ccc(CC(=O)N2CCC(c3ccccc3)CC2)cc1,-1.3685121536254883
c1ccc(-c2nc(CN3CC[NH+](C4CCCCC4)CC3)no2)cc1,-1.172291874885559
Cc1nc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n[nH]1,-0.8882288336753845
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5507768392562866
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238720417022705
Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.268436074256897
Cn1cc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cn1,-1.1144921779632568
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.1595433950424194
C[NH+]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccccc3)CC2)C1,-1.476240873336792
O=C(c1ccc(Br)cc1)[C@@H]1CCN(C(=O)Cc2cccs2)C1,-1.0344287157058716
Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.31462824344635
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1827967166900635
Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.128255844116211
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1471621990203857
COc1ccc(NC(=O)c2ccc3c(c2)CC(C)O3)cc1,-1.3007311820983887
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9138553142547607
FC1(F)CCC(CN2CCN(Cc3ccccc3)CC2)CC1,-1.399809718132019
COc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1,-1.353427767753601
O=C1C[C@@H](NC(=O)c2ccccc2)[C@@H](c2ccccc2)CN1,-1.3345423936843872
Cc1noc([C@H]2CCC[C@H]2NC(=O)c2ccc(Cl)cc2)n1,-0.8741841912269592
Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9985751509666443
O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4819916486740112
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.439288854598999
[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.8393222689628601
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3824468851089478
O=C(NCCF)c1cccc(C[NH+]2CCCC2)c1,-1.6325957775115967
Clc1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Cl,-1.0753023624420166
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.265838384628296
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9832897186279297
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9507963061332703
O=C(CCc1ccncc1)Nc1ccc(N2CCOCC2)cc1,-1.5089093446731567
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2cnn(C)c2)cc1,-1.1238441467285156
Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.2099379301071167
CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCO1,-1.5554956197738647
CCC(CC)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.1867249011993408
Cc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1O,-1.5486525297164917
CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1=O,-1.1247820854187012
O=C(Cc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1,-1.2550321817398071
C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1,-1.400667667388916
Cc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.9568697810173035
Cc1cc(Cl)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9725378155708313
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2247314453125
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.955712616443634
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.1839418411254883
C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2969952821731567
O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(O)cc1,-1.1211806535720825
Cc1[nH+]cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.238457202911377
Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1556576490402222
C[C@@H](C(=O)NCc1ccc(Br)cc1)c1cc(F)ccc1F,-0.8421950936317444
O=C(NCC1CCCC1)[C@H]1C[C@H]1C1CCOCC1,-1.6089532375335693
c1ccc(C[NH+]2CCC[C@@H](c3noc(C4CCCCC4)n3)C2)cc1,-1.1950770616531372
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.4736188650131226
Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)co1,-1.2852306365966797
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.140466570854187
Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)c1,-1.5682635307312012
COc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1,-1.149011254310608
O=C(O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1,-1.1859073638916016
O=C(N1CCN(c2ccccc2)CC1)C1(c2ccccc2)CC1,-1.3076006174087524
O=C(O)C1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1,-0.9930508732795715
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.027573823928833
C[NH+]1CC[C@@]2(CCCN(C(=O)NC[C@H]3CCCCO3)C2)C1,-1.551514744758606
O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8992300629615784
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCNC2=O)cc1,-1.0393311977386475
O=C(N[C@H]1CCCC[C@H]1c1ccc(O)cc1)c1ccccc1Cl,-0.9505532383918762
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1159063577651978
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0620907545089722
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9720014333724976
Cc1ccccc1C(=O)N1CCC(Oc2ccc(O)cc2)CC1,-1.2467234134674072
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.792119562625885
C[C@]1(O)CCN(C(=O)Nc2scnc2-c2ccccc2)C1,-1.329356074333191
O=C(NCC(O)=NCCc1ccc(F)cc1)c1ccccc1,-1.508680820465088
O=C(Nc1cccc(Cl)c1)N[C@@H]1CCC2(CCOCC2)C1,-1.512790560722351
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202231645584106
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.9445143938064575
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1,-0.8424283862113953
Cc1ccc(-n2cc(C(=O)N3CC[C@H]4CCC(=O)N4C3)c(C)n2)cc1,-0.4007721543312073
Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0686819553375244
O=C(c1cccc(Cl)c1[O-])N1CCN(Cc2ccccc2)CC1,-1.101955771446228
CN1CC[NH+](Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C1,-1.2885456085205078
O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9201927781105042
O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-1.0326623916625977
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0847561359405518
C[C@@H](CC[NH+]1CCN(C)CC1)C(=O)NCc1ccccc1,-1.552930474281311
CC(C)C(=O)NCc1ccc(N2CC[NH+](C)C[C@H]2C)cc1,-1.127155065536499
Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1899421215057373
O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.2335467338562012
O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1,-0.9816229343414307
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.3912357091903687
Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0539289712905884
Nc1ccc(F)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0668305158615112
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.1444756984710693
O=C(NCc1cccc(Cl)c1)N1CCC2(CCCO2)CC1,-1.5035021305084229
Cc1cc(Cl)cnc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9560719132423401
O=C(CSc1nc2ccccc2s1)Nc1cccc(Cl)c1,-0.957112729549408
C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4901764392852783
O=C(CNc1ccccc1)NCc1ccccc1,-1.7367513179779053
CC(=O)Nc1ccc(CNC2CCCCC2)cc1,-1.659719467163086
O=C(Nc1ccc(F)c(F)c1)c1ccn(C2CCCC2)n1,-0.8792383074760437
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604558229446411
Cc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1,-1.5920310020446777
Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1415250301361084
CCOc1ccc(CNc2ccc(Cl)cc2I)cc1,-1.2040380239486694
CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4100842475891113
Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3734591007232666
CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.068186640739441
O=C(Cc1ccccc1)N1CCCN(Cc2ccccc2)CC1,-1.512392520904541
CCc1ccc(CNC(=O)N2CCC(O)C2)cc1,-1.6311326026916504
COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.4235457181930542
O=C(O)c1cccc(CNCc2ccccc2)c1,-1.6729178428649902
O=C(NCc1cnnn1C1CCCCC1)C1CC1,-1.3558263778686523
O=C(c1ccccc1)N1CCC([C@H](O)CC2CCCCC2)CC1,-1.3981478214263916
Cc1nc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9105601906776428
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.5236592292785645
O=C(NC1CCN(c2cc(F)ccc2F)CC1)c1ccccn1,-0.8698310256004333
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1411731243133545
C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6639106273651123
Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-0.9386323094367981
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069513201713562
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9625775218009949
c1ccc(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1,-1.2504035234451294
Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-1.0401065349578857
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502580881118774
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.250540852546692
O=C(O)c1ccccc1COCc1ccccc1,-1.724513292312622
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1O,-1.1394351720809937
NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1F,-1.1660791635513306
O=C(Nc1ccc2[nH]ncc2c1)c1ccc(N2CCCC2)cc1,-1.1546331644058228
Fc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1876401901245117
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023393869400024
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.425772786140442
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.2981488704681396
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.170596718788147
Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9259576797485352
Cc1ccc(Cl)cc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.0766111612319946
Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1019713878631592
Nc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-0.9831073880195618
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3N)cc2)CC1,-1.0825344324111938
CCc1ccccc1C(=O)NCCCC1CCOCC1,-1.6441044807434082
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.2324374914169312
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0926307439804077
Oc1ccc(N2CCC(COc3ccc(Br)cc3)CC2)cc1,-1.2767703533172607
Cc1ccc([C@H]2CCCN2C(=O)Nc2nnc(C)s2)cc1,-0.8398776054382324
Nc1cccc([C@H]2CCCC[C@H]2NC(=O)c2ccccc2F)c1,-0.926153302192688
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2102582454681396
Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0189533233642578
O=C(Cc1ccc(Cl)nc1)N[C@@H]1CCC2(CCOCC2)C1,-1.4475561380386353
Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4571281671524048
Cc1cc(NC(=O)[C@H]2CCCN(c3cnn(C)c3)C2)no1,-1.1157091856002808
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Br,-0.7923313975334167
C[C@@H](NC(=O)N1CCC(C2CCCCC2)CC1)c1ccccc1,-1.3839225769042969
O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC[C@@H](F)C1,-1.0329455137252808
O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCSCC2)cc1,-1.4978376626968384
O=C(NCc1csc(C2CC2)n1)C1CCCCC1,-1.309633731842041
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1680631637573242
CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.462890625
COc1ccccc1C(=O)N1CCCC[C@@H]1c1ccc(N)cc1,-1.0277750492095947
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3613033294677734
Cn1cc(NC(=O)C2CC[NH+](CCC(F)(F)F)CC2)cn1,-1.1751662492752075
Cc1ccccc1N1CCN(C(=O)Nc2ccc([O-])cc2)CC1,-1.1542143821716309
Cc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1,-1.3911871910095215
Cn1nnc2cc(C(=O)NCc3ccc(F)cc3)ccc21,-0.8981529474258423
C[NH+]1CCC[C@@H]1CNC(=O)Nc1cccc(F)c1,-1.5822113752365112
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4403163194656372
O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCOCC2,-1.4839085340499878
c1ccc(N2CC[NH+](Cc3csc(C4CCSCC4)n3)CC2)cc1,-0.9611767530441284
CC(C)[C@@H]([NH3+])CC(=O)NCc1noc(-c2ccccc2)n1,-1.1991606950759888
Cn1nc(O)c2ccc(C(=O)NCc3ccccc3)cc21,-1.2155054807662964
O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9735075831413269
C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccn2)CC1,-1.2940433025360107
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8144278526306152
Fc1ccc(CNC2CCN(c3ccc(I)cc3)CC2)cc1,-1.0049779415130615
Cn1cc(NC(=O)c2coc(-c3ccc(Br)cc3)n2)cn1,-1.0299969911575317
Cc1cc(F)ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.0072163343429565
Nc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1,-1.4394115209579468
Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)n[nH]1,-0.7661764621734619
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.549782156944275
CCOC(=O)c1ccc(O)cc1,-1.8731048107147217
Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3627210855484009
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.075020670890808
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2cccc(Br)c2)cc1,-0.9144513010978699
O=C(NC1CCN(c2ccccc2)CC1)C1CC(F)(F)C1,-1.2040060758590698
CC1CN(Cc2ccccc2)CCN1Cc1cccc(Br)c1,-1.2405755519866943
Cc1ccc(NC(=O)NCC2CCCC2)cn1,-1.6570407152175903
COc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4254064559936523
Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3770208358764648
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846619606018066
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4425541162490845
O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.015958309173584
COc1ccc(NC(=O)Cc2ccc3nc(C)ccc3c2)cc1,-1.0617014169692993
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.1806045770645142
Cc1noc(C2CCC(NC(=O)c3ccc(C)s3)CC2)n1,-0.9409931898117065
Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1,-1.2355996370315552
N#Cc1ccc(OCCCOc2ccc(F)c(Br)c2)cc1,-1.3302688598632812
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2976219654083252
N#Cc1ccc(C(=O)Nc2ccc(-c3cccs3)cc2)nc1,-1.2986011505126953
Cc1ccc(OCc2ccc(N3CCO[C@@H](C)C3)cc2)cc1,-1.5045338869094849
c1cc(N2CCOCC2)ccc1Cc1nc(C2CCCCC2)no1,-1.1822103261947632
C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)Nc1ccccc1,-1.0254783630371094
CS(=O)(=O)c1ccc(N2CCN(C(=O)N3CCCCC3)CC2)cc1,-1.1076756715774536
CC1CC[NH+](Cc2ccc(CN3CCN(C)CC3)cc2)CC1,-1.429782748222351
O=C(N[C@H]1CCC12CCCC2)N1CCO[C@@H](c2ccccc2)C1,-1.4669930934906006
Cc1ccccc1[C@H]1CCCCN1C(=O)CN,-1.4464679956436157
Cc1ccccc1C(=O)Nc1ccc(-c2ccc(N)cc2)cc1,-1.1134966611862183
Clc1ccc(CNC2CCC(c3ccccc3)CC2)cc1Cl,-0.9321558475494385
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2o1,-1.1809790134429932
CN1CCN(c2ccc(OCc3ccc(O)cc3)cc2)CC1,-1.4673070907592773
Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)s1,-1.149696707725525
Cc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9179871082305908
CC1(O)CCN(c2ccc(NC(=O)N3CCCCC3)cc2)CC1,-1.4414364099502563
O=C(NC1CCN(c2cc(F)ccc2F)CC1)c1ccccc1,-0.9412127733230591
Cn1cc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1,-1.213100790977478
O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-c2ccccc2F)cc1,-0.9516806602478027
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.0712215900421143
O=C(Nc1ccc(Cl)nc1)N1CCCC[C@@H]1CC(F)(F)F,-0.820164144039154
O=C1CCC[C@@H](NC(=O)NCc2cccs2)C1,-1.6490060091018677
c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.067929983139038
Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)nc1,-1.5303149223327637
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1C,-1.52898371219635
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0923621654510498
Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0673385858535767
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(O)c1,-1.4914934635162354
Cc1cc(F)ccc1C(=O)N[C@@H](C)Cc1ccc(F)cc1,-1.044161081314087
Cc1cnc(NC(=O)c2ccccc2)cc1-c1ccc(F)cc1,-1.1009479761123657
C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1cccc(O)c1,-1.1878982782363892
CC(C)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.0379738807678223
Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.4934983551502228
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1976568698883057
O=C(Nc1ccnn1-c1cccs1)c1ccc(F)c(Br)c1,-0.8154422044754028
CCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.1135462522506714
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(F)c1,-1.1162638664245605
Oc1ccc(C(Nc2ccc(Cl)cc2)c2ccccc2)cc1,-1.2901489734649658
C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6725198030471802
O=C(C[NH+]1CCOCC1)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.3451118469238281
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8711363077163696
Cc1ccc(NCc2ccc(N3CCC(N)CC3)cc2)cc1,-1.4089609384536743
[CH2]N1CCc2ccccc2C1,-1.8326823711395264
[NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(F)cc2)CC1,-1.5551257133483887
O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,-1.001207709312439
Cc1cccc(CNc2ccc(-c3ccc(F)cc3)cc2)c1,-1.3042347431182861
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706607103347778
Cc1cccc(OC2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-1.1892213821411133
Cn1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.271494746208191
CN1CC[NH+](C)C[C@H]1C(=O)NC1CCN(c2ccccc2)CC1,-1.1016353368759155
CC(=O)Nc1cccc(OCc2ccccc2)c1,-1.6984634399414062
O=C(CNC(=O)N1CCCC1)N1CCC2(CCCC2)C1,-1.5692296028137207
CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.3093808889389038
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0657190084457397
Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cn2)cc1,-1.0619771480560303
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.4566453695297241
Fc1cc(-c2ccccc2)ccc1OCc1ccc([S-])cc1,-1.220146656036377
Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0671087503433228
Fc1ccc(CNc2ncccc2-c2ccc(Cl)cc2)cc1,-0.9730560183525085
CC(=O)NC1CCN(C(=O)Cc2cccc(Cl)c2)CC1,-1.3714128732681274
C[C@@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1,-1.3828266859054565
O=C(Nc1ccc(F)cc1O)c1ccc(N2CCCCC2)cc1,-0.9917358756065369
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0632473230361938
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2556887865066528
Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)cs1,-1.1844918727874756
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c[nH]c2ccccc12,-1.195069432258606
Cc1oc2ccccc2c1N1CCN(C(=O)C(=O)N2CCCC2)CC1,-0.7879955768585205
CCCCNC(=O)c1cccc(N2CCc3cc(N)ccc32)c1,-1.0648808479309082
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.027573585510254
O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1,-0.8835339546203613
C[NH+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCCC3)CC2)C1,-1.2397085428237915
O=C1CC(NCc2ccc(Cl)cc2)CN1c1ccccc1,-1.2989654541015625
COc1ccc(CNCCc2cccc(Br)c2)cc1,-1.5259382724761963
[NH3+]C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.1931443214416504
O=C(c1ccccc1)N1CCN(c2nsc(C3CCC3)n2)CC1,-0.9393096566200256
COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]([NH3+])C2)cc1,-1.0881613492965698
Cc1cc(C(=O)N[C@H](CO)c2ccc(F)cc2)ccc1F,-1.0570558309555054
Brc1ccc(C[NH+]2C[C@H](c3ccccc3)[C@H](C3CC3)C2)cc1,-1.0625934600830078
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5165013074874878
O=C(COCC1CCCC1)N[C@H]1CCCC[C@H]1O,-1.7237738370895386
CCCN1CCN(C(=O)c2ccoc2-c2ccc(F)cc2)CC1,-1.0419691801071167
C[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(F)cc1Cl,-1.0006906986236572
Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cn1,-1.3825017213821411
Oc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1,-1.3309069871902466
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.1549098491668701
Cc1ccc(F)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1,-0.9808699488639832
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1O,-1.1279969215393066
O=C(C[NH+]1CCCC[C@@H]1C(=O)[O-])Nc1ccc(Cl)cc1,-1.2893983125686646
CC1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1,-1.2061896324157715
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)n1,-0.9689252376556396
O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.260326862335205
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.4738963842391968
O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0970078706741333
Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.2056864500045776
C[C@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.300079345703125
O=C1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,-0.8464712500572205
CC(=O)Nc1ccc(C[NH+]2CCC3(CCCCC3)C2)cc1,-1.570758581161499
Cc1cc(C(=O)N[C@@H]2CCC[C@H](c3ccc(C)o3)C2)no1,-1.2407722473144531
CCC(C)(C)C(=O)NCc1cccc(N2CCCCC2)c1,-1.557435154914856
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4389827251434326
Cc1cccc(-c2noc(CCOc3ccc(Cl)cc3)n2)c1,-1.180978775024414
O=C(C1CC(F)(F)C1)N1CCC(Oc2ccccc2)CC1,-1.3422057628631592
CN(C)c1ccc(C(=O)NC[C@H]2SCCc3ccccc32)cc1,-0.9469563961029053
Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0593594312667847
O=C(C1CC1)N1CCC(Nc2ccc3c(c2)CCC3)CC1,-1.1482212543487549
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1S,-1.003777265548706
Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.1510019302368164
Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1665579080581665
CC(C)(C)CN1CCC(C(=O)Nc2ccc(I)cc2)CC1,-1.051990270614624
O=C(Nc1cccc(F)c1)N1CCCN(c2ccccc2)CC1,-1.275985836982727
Cc1noc(C)c1NC(=O)c1ccc(N2CCCC2)cc1,-1.1648980379104614
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9273320436477661
COc1ccc(CNC(=O)N2CC[C@H](C)C2)cc1,-1.6096265316009521
Cc1cc(C(=O)NC[C@@H]2CC[NH+]3CCC[C@@H]3C2)ccc1Cl,-0.8913894891738892
O=C(c1ccncc1I)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8591435551643372
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2100588083267212
O=C1CCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0777071714401245
O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.5032542943954468
Cc1ncc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.32859528064727783
Cc1nc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)co1,-1.0228110551834106
C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2)C1,-1.2344884872436523
Cc1ccc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0936737060546875
CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(Br)s2)C1,-1.2048815488815308
CN(Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1,-0.8538105487823486
CC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2O)CC1,-1.354454755783081
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.837787926197052
O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9571718573570251
O=C(N[C@H]1CCCC[C@H]1O)c1ccccc1-c1ccc(Br)cc1,-0.9613904356956482
CN1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1,-1.3504233360290527
c1ccc(Cc2ccc3c(c2)C[NH+](Cc2ccccc2)CC3)cc1,-1.3102455139160156
Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.194746971130371
Cc1cccc([C@H]2CCCC[C@@H]2NC(=O)c2ccccc2O)c1,-1.0823198556900024
[NH3+]c1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4623521566390991
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0275238752365112
CC(C)c1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1,-0.976966142654419
Cc1ccc(C2(NC(=O)c3ccc(Cl)nc3)CCC2)cc1,-1.118584394454956
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2occc2c1,-1.1902694702148438
Cc1ccc(N2CCN(C(=O)c3ccc4ncc(O)nc4c3)CC2)cc1,-0.5718786716461182
O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1,-1.1028693914413452
Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1,-1.3615978956222534
[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9584686160087585
O=C1N[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21,-1.0622386932373047
Cc1cc(F)ccc1N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1,-0.6731507778167725
Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)no1,-1.0819213390350342
Cc1cc(Br)ccc1C[NH2+][C@@H]1CCN([C@@H]2CCC[NH+](C)C2)C1,-0.9260396957397461
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1411796808242798
CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1543452739715576
C[NH+]1CCCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.3079475164413452
CC(C)C(=O)Nc1ccc(CC(=O)N2CCCC[C@H]2C)cc1,-1.161797046661377
Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5757112503051758
Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-1.0656310319900513
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5312743186950684
Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9632843732833862
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.039985179901123
Cc1cc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)no1,-1.013373613357544
CC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8888649940490723
Fc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1Cl,-1.0272830724716187
CC(C)(C(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.2274773120880127
COc1ccc(CNC(=O)c2cc(Br)on2)cc1,-1.5116100311279297
O=C(Cc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1,-1.4347045421600342
CCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.5433334112167358
Cc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,-0.6257290840148926
C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2204300165176392
O=S(=O)(CCc1ccccc1)NCc1ccc(O)cc1,-1.6364299058914185
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.475702166557312
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-0.9359567165374756
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0173207521438599
O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1F,-1.040576696395874
NC(=O)COCc1ccccc1,-1.92274808883667
Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0315117835998535
CC(C)(C)CCC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1,-0.9728482365608215
O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.554739236831665
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589084982872009
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.283510446548462
O=C(NCc1ccccc1)Nc1ccc(Br)nc1,-1.592106819152832
Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9327879548072815
Cc1c(NC(=O)Cc2ccc(N3CCSCC3)cc2)cnn1C,-0.8809424042701721
CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1,-1.5390301942825317
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3166276216506958
CCOc1cccc(NCC2(O)CCCCCC2)c1,-1.6981627941131592
Nc1ccc(NC(=O)N2CCCC[C@@H](c3ccccc3)C2)cc1,-1.3077187538146973
O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2o1,-1.1474814414978027
Cc1ccccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.1432846784591675
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3956705331802368
O=C(c1cc(F)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0330142974853516
O=CN1CCCC[C@H]1C(=O)NCc1ccc2c(c1)CCCC2,-1.181111216545105
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(N)n1,-0.8875700831413269
CC(C)CC(=O)N1CCC(NCc2ccc(F)cc2)CC1,-1.2609145641326904
O=C(NCc1cccc(Cl)c1)Nc1ccccc1,-1.6228266954421997
O=C(Cc1cc2ccccc2o1)NCc1ccc(Cl)cc1,-1.3438408374786377
C[C@H]1CCCN(C(=O)COc2cccc(C(=O)[O-])c2)C1,-1.5275850296020508
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1C(=O)c1ccccc1,-1.0413066148757935
O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.5758087635040283
CC(C)([NH3+])CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1,-1.51227605342865
O=C(NC(=O)N1CCN(C2CCCC2)CC1)N1CCCCC1,-1.2806752920150757
CCc1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9988304376602173
COc1ccc(C)cc1C(=O)N1CCN(c2ccccc2)CC1,-1.1240029335021973
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2cc[nH]c2c1,-1.1472541093826294
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9677930474281311
CCOc1cccc(N2CCN(C(=O)C(C)(C)C)CC2)c1,-1.2961554527282715
CC1Cc2cc(C(=O)N3CCC(O)(c4ccccc4)C3)ccc2O1,-1.142348051071167
Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.0041335821151733
Cc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)o1,-1.162133812904358
O=C(c1ccccc1F)N1CCC(Oc2cccc(Cl)c2)CC1,-1.0114243030548096
Nc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)nc1,-1.2743221521377563
Cc1cccc(CC(=O)NCc2cc3ccccc3o2)c1,-1.5182076692581177
CC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.5749742984771729
O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-0.9511381387710571
CC1(C)CCCCN1C(=O)N1CCC(Oc2ccccc2)CC1,-1.3704400062561035
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1858588457107544
Cc1ccc(CNC(=O)C[NH+]2CCOC(C)(C)C2)s1,-1.5861515998840332
CC(C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.4359660148620605
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.2010504007339478
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.2256171703338623
Cc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-1.060274362564087
O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7956051826477051
Cc1ccc(NC(=O)c2ccc(CC(F)(F)F)cc2)cc1,-1.2449103593826294
Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.9099810123443604
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.851755678653717
Clc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.324095606803894
Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8489917516708374
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ccccc2Cl)CC1,-0.5695847868919373
O=C(N[C@@H]1CCCC[C@@H]1F)c1cccc(-c2ccc(F)cc2)n1,-0.9304856061935425
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208184719085693
[NH3+][C@@H](Cc1ccc(Br)cc1)C(=O)NCCc1ccccc1,-1.4559729099273682
O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.4844921827316284
O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9040031433105469
Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)ccc2[nH]1,-1.1971510648727417
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1,-0.9908294677734375
O=C(Nc1cnn(-c2ccccc2)c1)N1CC[NH+]2CCC[C@@H]2C1,-1.1271007061004639
Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Br,-1.1620409488677979
Cc1cccc(CNC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1592954397201538
Cc1cc([NH3+])ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1882468461990356
Cc1ccc(C(=O)Nc2snnc2-c2ccc(O)cc2)s1,-0.8528121113777161
Cc1ccc(CNC(=O)CCCc2ccccc2)cc1C,-1.542658805847168
CCOc1cc(F)c(-c2ccc(N3CCCC3=O)cc2)cc1F,-0.741032600402832
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4389971494674683
O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.4829490184783936
Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.034913182258606
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0391875505447388
Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.8866915702819824
COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-1.0307689905166626
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0436551570892334
CCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1,-1.2373992204666138
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6742087602615356
O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.4112420082092285
Cc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)s1,-0.9151322841644287
C[C@H](O)C1CCN(C(=O)N2CCC(c3ccccc3)CC2)CC1,-1.2676302194595337
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329939842224121
O=C(NCc1ccccc1)N1CCC[C@@H]1C1CC1,-1.6088913679122925
CC(C)C[NH+]1CCC(C)(NC(=O)c2ccc(F)cc2I)C1,-0.8720717430114746
O=C(COc1cccc(Br)c1)Nc1ccc2cn[nH]c2c1,-1.2305182218551636
C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)CC1,-1.1764013767242432
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2011915445327759
C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3519257307052612
CCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4982229471206665
O=C(Nc1ccc(F)nc1)C1CCN(c2ccccc2F)CC1,-0.8465903401374817
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579055786132812
O=C(CNC(=O)c1cccs1)Nc1ccccc1O,-1.5742384195327759
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1515296697616577
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)c[nH]1,-1.0914437770843506
O=C(Nc1ccc(O)cc1)N1CCCN(c2ccccc2)CC1,-1.4458059072494507
Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.264242172241211
O=C(Cc1ccc(O)cc1)NCc1cc2ccccc2s1,-1.3299567699432373
C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.317206621170044
O=C(c1cc(F)ccc1F)N1CC[NH+](CC2CCOCC2)CC1,-0.9967945218086243
Cc1ccc(CNc2ccc(N)nc2-c2ccccc2)cc1,-1.1283023357391357
O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9401028156280518
CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.7351412773132324
O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248899459838867
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1C,-1.5274258852005005
Cc1ccc(C(=O)NC2(C3CCCCC3)CCOCC2)c(O)n1,-1.1892434358596802
Cc1cc(OCC2CCCCC2)c(-c2ccccc2)cc1C,-1.4037086963653564
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5320205688476562
O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCOCC1,-1.2151730060577393
Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3410699367523193
O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc([O-])cc1,-1.2937138080596924
O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-0.9854037761688232
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0870126485824585
COc1ccc(C(=O)NN=C(O)COc2ccccc2)cc1,-1.5544947385787964
Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(O)c2)o1,-1.5086926221847534
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.889438271522522
Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1,-1.2324212789535522
O=C(NCc1ccc(I)cc1)c1ccc2c(c1)CCCC2,-1.0241018533706665
CC(O)C(C)N1CCN(C)CC1,-1.773726463317871
NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1152113676071167
Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1,-1.1837419271469116
CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C,-0.9635878205299377
Cc1ccc(N)c(C(=O)NCc2ccc3c(c2)OCO3)c1,-1.1332679986953735
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2362241744995117
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.830903172492981
CC1CCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1,-1.2144757509231567
Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9916681051254272
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258813500404358
O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.959171712398529
O=C(CCN=C(O)NCc1ccccc1)Nc1ccccc1,-1.6018519401550293
O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.676180124282837
Cc1ccc(I)cc1C(=O)Nc1ccccc1N1CCCCC1,-0.9591664671897888
Cc1cc(NC(=O)COc2ccc(F)cc2C)ccc1Br,-0.9778583645820618
O=C(Nc1ccc(N2CCCCCCC2=O)cc1)c1ccccc1,-1.3191027641296387
Cc1ccc(OC2CCN(CC(O)=Nc3cc(F)ccc3F)CC2)cc1,-0.899311363697052
CC1CCCCN1C(=O)COC(=O)CCc1cccc(Cl)c1,-1.3054639101028442
O=C(Nc1ccc(I)cc1)N1CCO[C@H](c2ccccc2Cl)C1,-0.9222232699394226
Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.281631588935852
O=C(Nc1ccc(F)cc1)N1CC(c2ccc(F)cc2)C1,-1.1345819234848022
COc1ccc(C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)cc1,-1.2910192012786865
O=C(Nc1ccnn1-c1ccc(F)cc1)[C@H]1CC[C@H](F)C1,-0.9788362979888916
Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.5139758586883545
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(O)ccc1F,-1.1486997604370117
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0453875064849854
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.481273889541626
O=C(c1cscn1)N1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1,-1.085136890411377
COc1ccc(C[NH+]2C[C@H](O)C[C@H]2c2ccc(C)cc2)cc1,-1.3474781513214111
O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9422460198402405
Cc1cc(C)cc(NCc2ccc(-c3nccn3C)cc2)c1,-1.1072182655334473
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2nc[nH]c2c1,-1.0219906568527222
N=C(O)CN=C(O)Cc1ccc(OCc2ccccc2)cc1,-1.5659477710723877
Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.1285041570663452
Nc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1Cl,-1.0729541778564453
CC1Cc2cc(CNCc3ccc(F)cc3)ccc2O1,-1.333301067352295
OC(CNc1ccc(-c2ccccc2)cc1)=NCC(O)=Nc1ccccc1,-1.3552685976028442
C[C@H]1CCCN(C(=O)NCC(=O)c2ccc(Br)cc2)C1,-1.1991060972213745
Cc1ccc(C(=O)CCCC(=O)NCc2ccccc2)cc1,-1.552929162979126
Cc1cc(Br)c(F)cc1CNC(=O)c1ccc(O)cc1C,-0.6641569137573242
O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(Cl)cc1,-1.0757182836532593
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577752828598022
Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1248571872711182
O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5168715715408325
O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.027811884880066
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3895204067230225
Cc1ccc(-c2nn(C)cc2N(C)Cc2ccccc2)cc1,-1.1080219745635986
CC1(C)CC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)CC1,-1.4270209074020386
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617193937301636
CC1(C)CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)C1,-1.3709198236465454
O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0909463167190552
O=C(Nc1ccccn1)N1CCCN(c2ccc(F)cc2)CC1,-1.1810250282287598
Cc1ccc(F)c(NC(=O)N2CCCCC2N2CCCCC2)c1,-1.0406410694122314
Cc1c(F)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0275415182113647
Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.039399266242981
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9390662908554077
CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.0713926553726196
O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(O)cc1,-1.3494009971618652
O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4702709913253784
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9103339910507202
O=C(NCc1ccc(F)nc1)N1CCOC2(CCCC2)C1,-1.5193830728530884
Cc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.239423155784607
COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6392261981964111
CC1CCC(NC(=O)c2cnn(C)c2-c2ccccc2)C1,-1.0634489059448242
CCCCC(O)=Nc1cccc(CNC(=O)c2cccs2)c1,-1.4946357011795044
CC(C)(O)CNC(=O)N1CCC(c2ccc(O)cc2)CC1,-1.5039559602737427
O=C(Nc1ccc(-c2ncco2)cc1)c1cc2ccccc2o1,-1.2177233695983887
O=C(c1ccc2cc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6851116418838501
C[C@H]1CCC[C@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.3764700889587402
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.550236463546753
C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.491040825843811
O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1,-1.2847410440444946
O=C(Nc1ccc(I)cc1)C(=O)Oc1ccc(F)cc1,-1.347713828086853
Nc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-0.9755181670188904
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)nc1,-0.9430835247039795
C[C@H]1CCC[C@H](NC(=O)NC2CCC3(CCCO3)CC2)C1,-1.5438278913497925
O=C(CC1CCCCC1)C(=O)N[C@@H]1CCc2ccccc2C1,-1.2774349451065063
Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2o1,-1.012743592262268
O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.6317589282989502
O=C(N[C@@H]1CC[C@H](F)C1)c1cn[nH]c1-c1ccc(F)cc1,-0.9197477102279663
CN(CCc1ccc(F)cc1)C(=O)c1ccc(O)c(O)c1,-1.192771077156067
O=C(c1ccnn1C1CCCCC1)N1CCC[C@H]1c1cccs1,-0.9297560453414917
O=C(c1csc(C2CCCC2)n1)N1CCC[C@H]([NH+]2CCCC2)C1,-0.8649107217788696
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1,-0.9669033288955688
O=C(Nc1ccc(F)c(Br)c1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1,-0.7891115546226501
O=C(C1CCCCCC1)N1CCC(Oc2ccc(F)cc2)CC1,-1.3072582483291626
O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2o1,-1.1752874851226807
Cc1cc(-c2ccc(OCc3ccccc3)cc2)nc(C)n1,-1.1157609224319458
O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9084661602973938
CC1(C)CCCC(NCc2ccc(C(C)(C)C)cc2)C1,-1.4424116611480713
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8046795129776001
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.353918433189392
O=C(Cc1ccc(Cl)cc1)NC(=O)c1ccc(F)cc1,-1.2842680215835571
Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7527803182601929
Cc1nc(CC(=O)NCc2ccc(C)c(Br)c2)cs1,-0.9808802604675293
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0069588422775269
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)CC1,-1.0806156396865845
CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(Br)cc1,-1.2303179502487183
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571070671081543
COc1ccc(C)cc1C(=O)N1CCN(c2ccccc2)CC1,-1.1232330799102783
O=C(c1cccc(Cl)c1)N1CCC[NH+](Cc2ccccc2)CC1,-1.276762843132019
Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)no1,-0.9446327090263367
Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700800657272339
C[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1396578550338745
c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2773373126983643
O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-0.9822638630867004
Nc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.2877118587493896
CC[NH+]1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-1.1837342977523804
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2777550220489502
Cc1nc(NCc2ccc(O)cc2)cc(-c2ccccc2)n1,-1.0887798070907593
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8953119516372681
O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1O,-1.446961760520935
Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C,-1.379837155342102
CC(=O)N1CCC[C@@H]1Cc1nc(-c2ccc(F)cc2)no1,-1.0378665924072266
O=C([O-])c1ccc(Br)cc1F,-1.7009731531143188
C[NH+]1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4797255992889404
O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@@H]1O,-1.161953330039978
CCCCC(=O)N1CCC(NC(=O)[C@@H]2CCCN(C)C2)CC1,-1.2406377792358398
Cn1cc(N2CC[C@@H](NC(=O)CC3CCOCC3)C2)cn1,-1.4659178256988525
O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313697576522827
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3578330278396606
O=C1C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)CCN1,-1.2894173860549927
CC1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCCC1,-1.2280369997024536
C[C@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1,-1.014882206916809
CC(C)(C)C(=O)NCC(=O)Nc1ccc(F)cc1,-1.5835472345352173
O=C(NCc1ccc(Cl)cc1)c1cc2cc(F)ccc2s1,-0.8609719276428223
COc1ccc([C@]2(O)CC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.4925590753555298
C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(I)cc2)C1,-1.275219440460205
CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCS(=O)(=O)C1,-1.4302767515182495
Cc1ccc(C(=O)N2CC[NH+](CC3CCCCCC3)CC2)nn1,-1.044284462928772
Cc1c(CNC(=O)N2CCOC3(CCCC3)C2)cnn1C,-1.2539514303207397
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.7204558849334717
CCn1ccc(C(=O)NCc2ccc(Br)cc2)n1,-1.522886872291565
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncoc2c1,-0.909985363483429
C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.324495553970337
O=C(Cc1nc2ccccc2o1)NCc1ccc(F)cc1,-1.3081259727478027
C[NH+]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2cccc(Br)c2)C1,-1.221680998802185
CS(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccccc3)CC2)C1,-1.2407469749450684
Cc1ccc(Br)cc1NC(=O)c1ccccc1-c1ccccc1,-0.9564940929412842
Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1051223278045654
CN1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.093361258506775
NCc1ccccc1,-2.0699758529663086
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1180226802825928
O=C(Cc1ccc(O)cc1F)Nc1ccc(C2CC2)cc1,-1.1661572456359863
O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1c1ccccc1,-1.5374740362167358
C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)O)cc2)CC1,-1.3614795207977295
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.439009189605713
Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2327295541763306
O=C(N[C@H]1CCCN(c2ccc(O)cc2)C1)c1ccccc1Cl,-1.0080703496932983
CC[NH+]1CCC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1,-1.20939302444458
CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3349604606628418
Cc1cccc(NC(=O)N2CCC(N3CCCC3=O)CC2)c1,-1.168169617652893
Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.5130060911178589
N#Cc1ccc(NC(=O)c2cccc(-n3cncn3)c2)cc1,-1.251334547996521
Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cn1,-1.23540198802948
O=C(c1ccc(C2CC2)cc1)N1CCC(c2ccccc2)CC1,-1.0962790250778198
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-1.102369785308838
COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.210097312927246
O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9866113662719727
O=C(NCc1ccc(O)c(Cl)c1)c1ccc2[nH]ccc2c1,-1.018635869026184
Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0342737436294556
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.184170126914978
Cc1ccc(C(=O)NC2=CC=C(C3=CCCCC3=O)CC2)cc1O,-0.9842081665992737
CC(C)(O)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.456514835357666
COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cn1,-0.9997492432594299
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1209607124328613
Cc1noc2c1CCCN2C(=O)NCc1ccc(Br)cc1,-0.811998724937439
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.2661453485488892
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5314406156539917
O=S1(=O)CC[C@H](Cc2nc(Cc3ccccc3)cs2)C1,-1.5078800916671753
C[C@@H]1CSCCN1C(=O)[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-0.9117200970649719
Cc1ccc(O)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.1386950016021729
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1956392526626587
O=C(c1cccnc1)N1CC[NH+](CCc2ccc(Cl)cc2)CC1,-1.1810235977172852
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0796200037002563
O=C(Cc1ccccc1Br)N1CCC(Sc2ccccc2)CC1,-1.0613605976104736
Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.361952781677246
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1076172590255737
C[C@H]1CCCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)C2)C1,-1.3017171621322632
Cc1cc(Br)ccc1C(=O)N1CCN(CC2CCCCC2)CC1,-0.8827594518661499
O=C(N[C@H]1CC12CCCCC2)N1CCN(c2ccccc2)CC1,-1.3358837366104126
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.03241765499115
Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1F,-0.4810221195220947
CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1,-1.0185176134109497
O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1452410221099854
CCCCC(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1,-1.3626596927642822
C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9172418117523193
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389442443847656
Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2727715969085693
Cc1cccc(C(=O)NCC(O)Cc2ccc(F)cc2)c1,-1.4671086072921753
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,-1.2731932401657104
O=C1CCCN1c1ccc(Br)cc1,-1.6378120183944702
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1,-1.0094542503356934
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718953609466553
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.165378451347351
O=C(Nc1cc(Cl)ccc1F)N1CCC[C@@H](c2ccccc2)C1,-0.913784921169281
CCc1ccc(C(=O)NCc2cccc(I)c2)o1,-1.5155508518218994
Cc1ccc(CC(=O)Nc2ccc(N3CCSCC3)cc2)cc1,-1.2732793092727661
Bc1cccc(C(=O)C2C(=O)N(c3ccc(F)cc3)C2=O)c1,-0.8828496932983398
O=C(c1ccc(Br)cc1O)N1CCC(Oc2ccccc2)CC1,-1.0928833484649658
CCCCc1ccc(C(=O)NCC2CCCCC2)cc1,-1.5955712795257568
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.09311842918396
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5288315415382385
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.251469373703003
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.974776029586792
Cc1ccc(-c2csc(NC(=O)c3csc(C)n3)n2)cc1,-0.7969594597816467
CC(C)C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.0178561210632324
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0299487113952637
CN(C(=O)Cc1[nH]nnc1C1CCOCC1)c1ccc(F)cc1,-0.8677870631217957
CCOc1ccc(Nc2ccc(C(C)C)cc2)cc1,-1.5799888372421265
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8669259548187256
O=C(Nc1ccccc1)c1cccc(OCCCO)c1,-1.6375515460968018
O=C1NCCN(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1,-1.3440204858779907
Cc1ccc(C(=O)NC2CC(c3cccc(F)c3)C2)cn1,-1.0666109323501587
C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1838816404342651
Cc1nccc(C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1,-0.9631321430206299
O=C(Nc1cccc(-c2ccccc2)c1)c1cc(Cl)ccc1F,-0.9765914082527161
Cc1nc(C[NH+]2CCN(C(=O)C3CCCC3)CC2)sc1C,-0.8250011801719666
Cc1ccc(CC(O)=NCOCc2ccc(Cl)cc2)cc1,-1.5106087923049927
Cc1ccc(OCC(=O)NC2CCC23CCOCC3)cc1,-1.5780571699142456
O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.4674203395843506
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1979542970657349
CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4754682779312134
CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1312170028686523
C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0391871929168701
COc1ccc(NC(=O)N2CCC=C(C3CCCC3)C2)cc1,-1.4358004331588745
Cc1nc2ccc(CNC(=O)c3ccc(Br)cn3)cc2[nH]1,-0.7482574582099915
O=C(Nc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1,-1.2930927276611328
CC(C)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1,-1.5975396633148193
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1898680925369263
Cc1nc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(C)o1,-1.0104531049728394
CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5526249408721924
O=C(NCC[NH+]1CCOC2(CCCCCC2)C1)c1ccccc1,-1.5685175657272339
CCOc1ccccc1C(=O)N[C@@H]1CC12CCC2,-1.648127794265747
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(O)c1,-1.1725389957427979
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(F)c1,-1.104400396347046
O=C(Nc1ncccc1Cl)N1CCC[C@H](c2ccc(F)cc2)C1,-0.7644993662834167
O=C(NCc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1,-1.3156237602233887
Cc1cccc(C(=O)NCC(=O)c2ccc(F)cc2)c1,-1.3884257078170776
Nc1ncc(-c2ccccc2)c(NCc2ccc(F)cc2)n1,-0.9132359027862549
C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9111610651016235
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.0135152339935303
Cc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1,-1.1037508249282837
O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960854411125183
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8954272866249084
c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3054959774017334
COCC(C)NCc1ccc(-c2ccccc2)cc1,-1.6357364654541016
CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.416011095046997
O=C(Nc1ccc(Br)cc1O)c1ccc(N2CCOCC2)cc1,-1.0543988943099976
Cc1nc2ccc(NC(=O)Nc3ccc([O-])cc3)cc2o1,-1.227047085762024
O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1ccccc1F,-0.9606236219406128
Cn1ccc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)n1,-0.921021044254303
Cc1ccc(C(=O)N2CCCC(C(O)=NCc3ccccc3)C2)cc1,-1.1499435901641846
CCc1noc(CNC(=O)c2ccc(O)cc2)n1,-1.6210157871246338
Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1173193454742432
Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cn1,-1.1029216051101685
C[C@H]1CCCCCN1C(=O)NC[C@@H]1C[C@H]1C1CC1,-1.289125919342041
O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.981024444103241
c1ccc2c(c1)CC[C@]21CCC[NH+](Cc2ccc(N3CCCCC3)cc2)C1,-0.9664750695228577
Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1175143718719482
Cc1nn(C)cc1NC(=O)c1csnc1-c1ccccc1,-0.9069241285324097
C[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC3(CCCCC3)C2)C1,-1.536909818649292
Cc1cc(NCc2ccc(I)cc2)ccc1C(C)(C)C,-1.0332392454147339
Cc1ccc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1F,-0.40448206663131714
CC(C)c1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1,-1.1557791233062744
CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7072468996047974
O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.895475447177887
Nc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1,-1.157432198524475
Nc1ccc2nc(CNC(=O)c3ccc(F)cc3)[nH]c2c1,-0.9848257303237915
COc1ccc(NC2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3191571235656738
O=C1NCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1c1cccc(Cl)c1,-0.8966509103775024
O=C(Nc1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.0605030059814453
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(Cl)c1,-0.9683786630630493
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8672899603843689
O=C(Nc1ccc(Cl)cc1)C1CC(c2ccc(F)cc2)C1,-1.0500694513320923
O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCOCC2)CC1,-0.9843430519104004
O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCOC2(CCOC2)C1,-1.4478894472122192
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c1,-1.4649678468704224
CN1CCCN(CC2CCOCC2)CC1,-1.771020770072937
[O-]c1ccc(CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1,-1.5650643110275269
Nc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cc1,-1.5321680307388306
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1785941123962402
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3984652757644653
O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8919102549552917
Cc1ccccc1[C@H]1OCCC[C@H]1NC(=O)Cc1ccccc1,-1.4303547143936157
CC[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1,-0.6132879257202148
O=C(CC1CCCCC1)NCc1nc2ccc(F)cc2o1,-1.1818372011184692
Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1257402896881104
c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1638503074645996
C[C@H]1CCCC[C@H]1[NH+]1CCC[C@H](C(=O)NCC(C)(C)C)C1,-1.1372534036636353
CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.3449970483779907
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.490895390510559
Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,-1.0897578001022339
C[C@@H]1CCCCN1c1ccc(NC(=O)CC2CCOCC2)cc1,-1.3622307777404785
O=C(Nc1ccccc1Cl)N1CCN(c2cccc(Br)c2)CC1,-0.828129768371582
CN(C)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0568362474441528
Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0788111686706543
Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.443847894668579
O=C(c1ccco1)N1CC[NH+](Cc2cc3ccccc3o2)CC1,-1.4608688354492188
Cc1ccc(C[NH2+][C@@H]2CN(c3ccccc3)C(=O)O2)cc1,-1.5378491878509521
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848500490188599
Fc1ccc(CNC2CCCOC2c2ccc(Cl)cc2)cc1,-1.2651804685592651
O=C1CCC[C@@H]([C@H]2CCCN(C(=O)NC3CCCCC3)C2)N1,-1.1765799522399902
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070005178451538
Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1412353515625
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1605958938598633
COc1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1,-1.564562201499939
O=C(NC1CCCCCC1)N1CCCC[C@@H]1c1cccc(Cl)c1,-1.1509487628936768
Cc1ccc(F)cc1NC(=O)c1cccc(N2CCCCC2)c1,-1.0945528745651245
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.6302640438079834
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-1.0748944282531738
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.184581995010376
Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4903351068496704
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5229986906051636
O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9784954190254211
O=C(Nc1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.0781433582305908
[N-]c1cccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c1,-1.3956130743026733
O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1,-1.304368257522583
Cc1nn(C)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1,-0.854128360748291
Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584663212299347
Nc1ccc(N2CCC(NC(=O)C3CCCCCC3)CC2)cc1,-1.1899819374084473
Cc1ccc2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1,-0.5617114305496216
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2cn[nH]c2c1,-1.0730944871902466
Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.301439642906189
Cc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)no1,-1.024742841720581
Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9741347432136536
Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0980030298233032
O=C(Nc1ccc(F)c(O)c1)N[C@H]1CC1C1CCOCC1,-1.2258607149124146
Cc1ccc(C(=O)N[C@@H]2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1,-1.005091905593872
Cc1ccccc1NC(=O)N1CCN(c2cccc(Br)c2)CC1,-0.964164137840271
Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1S,-1.313847541809082
O=C(N1CC[C@@H](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1,-1.1838510036468506
CC(C)([NH3+])CNC(=O)Cc1ccc(-c2ccccc2)cc1,-1.537263035774231
C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.092431902885437
COc1ccccc1CNC(=O)c1ccc(Br)s1,-1.3587110042572021
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9471799731254578
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2869850397109985
O=C(CCc1ccccc1)N[C@H]1CCN(c2ccccc2Cl)C1,-1.221116065979004
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2762727737426758
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)n1,-0.9114059209823608
Cc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1971179246902466
O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)NC2,-1.3695672750473022
O=C(c1ccc(Cl)s1)N1CCC[C@@H]1Cc1ccc(F)cc1,-0.9059767127037048
N#Cc1cncc(C(=O)Nc2ccc(N3CCCC3)cc2)c1,-1.1557669639587402
Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0326842069625854
O=C(NCC1CC(F)(F)C1)C1CC2(CCOCC2)C1,-1.5513606071472168
CC(C)C(C(=O)O)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9815400242805481
Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N)cc1,-1.1051300764083862
Cc1noc(-c2ccc(NC(=O)C[NH+]3CCCC3)cc2)n1,-1.3526084423065186
Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(F)c2)n[nH]1,-1.1095219850540161
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.2474547624588013
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.0172771215438843
O=C(Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1,-1.3479952812194824
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)co1,-1.1282215118408203
O=C([O-])c1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1,-1.1327435970306396
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2[nH]ncc2c1,-1.0771687030792236
Cc1cc(Cl)cc(NCc2ccc(N3CCOCC3)cc2)c1,-1.246227502822876
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.109046220779419
COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139795780181885
CN(C(=O)Cc1ccccc1)C1CCN(c2ccccc2)CC1,-1.389091968536377
Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1150214672088623
O=C([O-])c1ccc(CNC(=O)C2C=CCCC2=O)cc1,-1.527076244354248
O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2731447219848633
Cc1cccnc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8636943697929382
CC1CCc2sc(CNC(=O)[C@H]3CCCC[NH+]3C)nc2C1,-0.6588162779808044
Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.078763484954834
O=C(Nc1ccccc1N1CCCC1)c1cnn2ccccc12,-1.018072247505188
Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.292134404182434
Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.1931006908416748
O=C(CCN=C(O)NCc1ccccc1)Nc1ccccc1,-1.6052896976470947
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Br)cc1F,-0.8641427755355835
Cc1ccc(OC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.361523985862732
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.931808590888977
Cc1ccc(NCC2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.2603704929351807
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.109773874282837
O=C([C@@H]1CCC[NH+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCC1,-0.7736607193946838
Cc1cc(NC(=O)[C@@H]2CCC[NH+]2C2CCCCC2)nn1C,-0.9856512546539307
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9459096789360046
O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1,-1.3508387804031372
O=C(N[C@@H]1C[C@H]2CCCC[NH+]2C1)C1(c2ccccc2)CCCC1,-1.3079646825790405
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCO[C@H](c2ccc(F)cc2)C1,-0.8658574819564819
Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCCC4)CC2)cc1,-0.7368294596672058
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3088799715042114
O=C(Nc1ccc(Cl)cc1O)N1CCN(c2ccccc2)CC1,-1.1410094499588013
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1478986740112305
CC(=O)CCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.5410407781600952
Nc1ccc2sc(C(=O)NCc3ccc(F)cc3)cc2c1,-0.951704204082489
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)n1,-1.0398494005203247
Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)c(F)c1,-0.49761247634887695
O=C(NC1CCN(c2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]CC1,-1.0761892795562744
Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0631256103515625
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060163974761963
Brc1ccc(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2203949689865112
O=C(O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,-1.162591576576233
O=C(NC1CCCC1)C(=O)N1CCN(c2ccccc2)CC1,-1.4055765867233276
c1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.388267159461975
O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.4998774528503418
Cc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O,-1.1618578433990479
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2F)cc1,-0.9484849572181702
Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.190490484237671
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.131523847579956
Cc1ccccc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1,-1.0399073362350464
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CCCCC1,-1.305167555809021
CCC(C)(C)C(=O)NC1CC[NH+](CC2CCOCC2)CC1,-1.529551386833191
Cc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccccc2F)cc1,-0.9648172855377197
C[C@H]1CN(c2ccc(F)cc2)CCN1C(=O)NC1CCOCC1,-1.0511856079101562
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8480103611946106
Cn1ncc2c1CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.8284857869148254
Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9735498428344727
O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8833537697792053
COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9329250454902649
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3354653120040894
O=C(NCc1ccc(F)c(Br)c1)c1cc2ccccc2[nH]1,-0.8902896642684937
COc1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1,-1.652931571006775
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318655490875244
CC(C)C(=O)NCC(=O)NCc1ccccc1,-1.700064778327942
Cc1nc(CC(=O)NCc2ccc(Br)c(Cl)c2)cs1,-0.9445457458496094
CC1(C)CN(C(=O)c2ccc(O)cc2)CCN1c1ccc(F)cc1,-0.8646367788314819
CN1CCN(Cc2ccccc2)C1=O,-1.767398715019226
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1342699527740479
CCc1ccc(Oc2ccccc2OC(C)C)cc1,-1.6578569412231445
O=C(N[C@@H]1CCNC(=O)[C@H]1c1ccccc1)c1ccccc1,-1.2936490774154663
O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.2092474699020386
O=C(NCc1cc2ccccc2[nH]1)N1CC[NH+]2CCCC[C@H]2C1,-1.0400197505950928
Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.262545108795166
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.09371018409729
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0706816911697388
CCC(C)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1,-1.2680988311767578
CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.5038535594940186
O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5629745721817017
O=C(NCc1ccccn1)Nc1ccc(Br)cn1,-1.5060337781906128
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cccc(F)c1F,-0.9267961382865906
O=C(NCc1ccc(Cl)cc1)Nc1ccccc1,-1.6711547374725342
O=C(NC1CCCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O,-1.102425217628479
Cc1cccc([C@@H]2CCCN(C(=O)NCC(C)(C)O)C2)c1,-1.4464045763015747
O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2784596681594849
Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1C,-1.0208443403244019
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.028899908065796
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.2258557081222534
Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8814597129821777
C[NH+]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3971669673919678
Cc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.0550576448440552
O=C(c1ccccc1O)N1CCC(Cc2ccc(Cl)cc2)CC1,-1.0135830640792847
O=C(CCc1ccc(Br)cc1)NCc1ccc(O)cc1F,-1.1746983528137207
O=C(NC[C@@H]1C[C@@H]1C1CCOCC1)N1CC2(CCCC2)C1,-1.4999734163284302
Cc1ccc(CN(C)Cc2ccc(O)c3cccnc23)cc1,-1.1380701065063477
CC(C)Oc1ccc(CNc2ccccc2O)cc1,-1.6076632738113403
Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1,-0.985461413860321
O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Br,-0.8168915510177612
NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1,-1.1002048254013062
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2169743776321411
CN1CC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1=O,-1.180508017539978
Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1,-1.4832465648651123
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0776323080062866
Fc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2314996719360352
C[NH+]1CCC(NC(=O)NC2CCC3(CCOCC3)C2)CC1,-1.5610673427581787
C[NH+]1C[C@H](NC(=O)CC2CCCCC2)CC[C@@H]1c1ccccc1,-1.3061434030532837
Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.7482671141624451
C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccccc3)O2)CC1,-1.5857845544815063
Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(F)cc2)n1,-1.10537850856781
Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536453247070312
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9655132293701172
O=C(O)COc1ccc(CNC2CCCC2)cc1,-1.685487985610962
C[C@H]1CC2(CCO1)CCN(C(=O)NCc1ccccc1)C2,-1.5829176902770996
Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,-1.4637954235076904
O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0334538221359253
Nc1ccc(O)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.0909357070922852
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.831867516040802
O=C(OCc1ccccc1)Oc1ccc(Br)cc1,-1.5979557037353516
O=C(c1cc(F)c(F)c(Cl)c1)N1CCN(c2cccc(F)c2)CC1,-0.2883363664150238
O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.2699246406555176
O=C(Nc1ccncc1Br)N1CCC[C@H](c2ccc(F)cc2)C1,-0.7911505699157715
[NH3+]CCCNC(=O)Nc1ccc(N2CCOCC2)cc1,-1.6645787954330444
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nn1,-0.941838264465332
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccn2)C1,-1.640812635421753
Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@H]1c1ccccc1,-1.1901122331619263
CC(C)CNC(=O)NC[C@H](O)Cc1ccccn1,-1.6588249206542969
O=C(c1cc2ccccc2[nH]1)N1CC[NH+](C[C@@H]2CCCO2)CC1,-1.2132583856582642
Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.1427758932113647
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(C)c1,-1.1823168992996216
Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1930142641067505
Nc1ccc(CSc2nc(-c3ccc(F)cc3F)no2)cc1,-0.7865128517150879
Cc1cc(NC(=O)c2ccco2)nn1-c1ccc(Br)cc1,-1.049936294555664
O=C(Cc1cccs1)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1,-1.1365498304367065
CC(CCc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1,-1.1030927896499634
O=C(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.665279746055603
Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5305830836296082
c1ccc(-c2nc(C[NH+]3CCN(C4CCCCC4)CC3)no2)cc1,-1.1643716096878052
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1928281784057617
Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)cc1,-1.248604416847229
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3065593242645264
CC1(C)C[C@H](CNC(=O)c2cc3ccccc3s2)CCO1,-1.3288195133209229
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2358194589614868
O=C(Cc1ccc(O)nc1)Nc1cccc(C(=O)O)c1,-1.528738260269165
CN1CCN(c2ccccc2)C(COc2ccc(F)cc2)C1,-1.341840386390686
CC[NH+]1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.0628920793533325
Cc1ccc(NC(=O)c2cccc(-c3ccccc3N)c2)cc1,-1.2300053834915161
O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0262832641601562
C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)CC1,-0.946202278137207
O=C([C@H]1CCC(F)(F)C1)N1CC[NH+](Cc2cccs2)CC1,-1.2293895483016968
O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)N1,-1.5905027389526367
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c([O-])n1,-1.0071308612823486
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.28377103805542
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1897308826446533
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212519884109497
O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(Br)cc1,-1.4046686887741089
Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.303086519241333
Fc1cc(OCC2CCCCC2)c(-c2ccccc2)cc1F,-1.1111400127410889
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.3379873037338257
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-0.7908162474632263
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.672616720199585
Cn1cc(NC(=O)[C@H]2CCCO2)c(-c2ccc(F)cc2)n1,-1.0978293418884277
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.383101463317871
CC(C)(C)C(=O)NCCCNC(=O)C1=CCCCCCC1,-1.6111971139907837
CC(C)N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1,-1.0150004625320435
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45830637216567993
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)o1,-1.2123113870620728
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1983776092529297
CCOc1ccc(-c2noc(N)c2-c2ccc(F)cc2)cc1,-1.098090410232544
Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.105887770652771
Cc1ccc(C(=O)Nc2ncnn2-c2ccc(Cl)cc2)o1,-0.9992567300796509
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9515634775161743
CS[C@@H]1CCCN(C(=O)NCc2ncc(Br)s2)C1,-0.9352816939353943
Cc1ccc(-c2ccc(OCc3ccccc3)c(C)c2)cc1,-1.3809725046157837
O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9805496335029602
O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.571236252784729
O=C(NCc1ccc(O)cc1)N1CCC2(CCOCC2)C1,-1.5756452083587646
Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12,-0.29212355613708496
Fc1ccc(-c2noc(COc3ccc(F)cc3Cl)n2)cc1,-0.9392915964126587
NC1CCCC(NC(=O)NCc2ccccc2)C1,-1.6454830169677734
O=C(NCC(=O)N1CCCCC1)c1ccc(F)c(F)c1,-1.1249665021896362
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750881433486938
O=C(Nc1ccc(-c2ccccc2)c(Cl)c1)c1ccccc1O,-1.0288560390472412
Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12,-0.5724865198135376
c1ccc(-c2ccccc2)cc1,-1.911352515220642
Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)cc1,-1.137158989906311
CN(Cc1ccc(Cl)cc1)c1ccnn1-c1ccc(Cl)cc1,-0.8487955331802368
CCOc1ccc(C)c(CNC2CCCCC2C)c1,-1.4270199537277222
Cc1nc2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2[nH]1,-0.9869921207427979
O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2ccccc2)cc1,-1.3496168851852417
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(O)c1,-1.276285171508789
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1028468608856201
O=C(NCc1cccc(I)c1)N1CCOC2(CCCC2)C1,-1.428066372871399
O=C(NCCNOCc1ccccc1)[C@@H]1CCCOC1,-1.6842451095581055
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056508183479309
O=C(N[C@@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.9014654755592346
Nc1ccc(CC(=O)NCc2cc3ccccc3o2)cc1,-1.4671694040298462
C[C@]1(O)CCCN(C(=O)NCc2cc3ccccc3o2)C1,-1.5238406658172607
CC(C)(C)NC(=O)c1ccc(C(=O)CC(=O)O)cc1,-1.5434640645980835
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0439800024032593
C[C@@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.3054190874099731
O=C(Nc1ccc(O)cc1O)c1ccc(-c2ccccc2)cc1,-1.2118504047393799
COC1CCN(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.0429905652999878
CCOc1ccccc1NC(=O)c1cnn(C)c1,-1.5931410789489746
O=C(NCC1CCC2(CCCO2)CC1)c1ccc(Cl)cc1,-1.529646396636963
N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.649867296218872
COCCOc1ccc(NC(=O)CC(C)O)cc1,-1.7041611671447754
Cc1ccc(-c2csc(NC(=O)c3ccn(C)n3)n2)cc1,-0.9540666937828064
Cc1ccc(C(=O)N2CC[NH+](Cc3nnc(C)s3)CC2)o1,-0.9386672973632812
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053663015365601
O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1,-1.3455604314804077
Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)c1,-1.5143306255340576
O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1850883960723877
CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(C)o2)C1,-1.6205971240997314
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112702369689941
Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.0942362546920776
Cc1nnc(OCC(=O)NCc2ccccc2)s1,-1.5931811332702637
Cc1ccc(C(O)=NCCCCCN=C(O)COCc2ccccc2)cc1,-1.4411838054656982
O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2[nH]1,-0.8917019367218018
Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.8648920655250549
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.1147534847259521
CCCC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)C[C@H](C)C2)C1,-1.4354264736175537
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.1220649480819702
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531880140304565
O=C(c1ccc(F)cc1Cl)N1CCN(CC2CCCCC2)CC1,-0.7680926322937012
Oc1cc(OCc2ccccc2)c(-c2ccccc2)cc1O,-1.5199415683746338
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9959467053413391
Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424172043800354
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0255540609359741
CC1(C)CN(C(=O)CNC(=O)c2ccccc2)CCS1,-1.4634629487991333
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1064246892929077
Fc1ccc(CNc2cc(F)ccc2C2CCCCC2)cc1,-1.0596802234649658
O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0628925561904907
Cc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1,-1.2564440965652466
O=C(C1CCOCC1)N1CCN(CCc2ccc(F)cc2)CC1,-1.4785434007644653
Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.387019395828247
CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.4791042804718018
Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4650797843933105
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.264677882194519
Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C,-1.1448780298233032
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1241328716278076
Cc1ccc(-n2nccc2C(=O)NC2(C)CCCC2)cc1,-1.287848711013794
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1530996561050415
O=C(Nc1ccc(-c2ccc(F)cc2F)cc1)c1ccccc1,-1.0390543937683105
O=C(Nc1ccc(C(F)(F)C(F)F)cc1)N1CCCCC1,-1.1615194082260132
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375913619995117
Cc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1F,-1.269851803779602
Cc1cccnc1CNC(=O)[C@@H](c1ccccc1)C(C)C,-1.1775856018066406
Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-1.0600746870040894
O=C(C[NH+]1CC[C@](O)(c2ccccc2)C1)NC1CCCC1,-1.6016809940338135
O=C(NCc1cccc(O)c1)NC1CCOCC1,-1.6835027933120728
c1ccc(-c2nc(-c3ccc(N4CCOC5(CCCC5)C4)cc3)no2)cc1,-1.0481157302856445
Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1,-1.2181980609893799
CN(Cc1ccccc1)C(=O)CC1CCS(=O)(=O)C1,-1.6687898635864258
Fc1ccc(NCc2ccc(Cl)cc2)c(N2CCOCC2)c1,-1.1011409759521484
O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7853989005088806
O=C(N[C@@H]1CCC2(CC2)C1)N1CC[C@H](C(F)(F)F)C1,-1.1126339435577393
C[C@@H]1CCCCC[C@H]1NC(=O)C[NH2+]CC1CCCCC1,-1.571570634841919
O=C1CC[C@@H](c2ccccc2)CN1C(=O)NC1CCOCC1,-1.3970433473587036
[NH3+][C@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc(Br)cc3)C2)C1,-0.9680272936820984
CC1(C)CC[C@@H](NC(=O)c2sccc2-c2ccccc2)C1,-1.3025480508804321
CC(C)(C)[C@H](C(=O)NCc1ccccc1)c1ccccc1,-1.5241155624389648
C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.393412709236145
C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.5101735591888428
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)nc1,-1.1492902040481567
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(I)cc2)CC1,-1.1905996799468994
Cc1cc(Br)ccc1CNC(=O)N1CCC2(CCCC2)C1,-1.13103449344635
CC1(C)CC[C@@H]1NC(=O)c1ncnn1-c1ccc(Cl)cc1,-0.8071229457855225
c1csc(-c2ccc(CNc3ccc4c(c3)CCO4)cc2)c1,-1.260524868965149
O=C(Cc1ccccc1)Nc1ccccc1F,-1.6725133657455444
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4961357116699219
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.051835536956787
Cc1noc([C@H]2CCCC[C@H]2NC(=O)C[C@H]2CCCO2)n1,-1.2651934623718262
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6559401750564575
Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)nc2)cc1,-1.0102189779281616
C[C@H](CCc1ccc(F)cc1)NC(=O)c1ccc(F)cc1,-1.2572582960128784
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.022334098815918
O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,-1.5017445087432861
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)o1,-1.1915383338928223
Cc1ccc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2n1,-0.5301598906517029
COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1957712173461914
c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2272869348526
Cc1ccc(OCC(=O)Nc2ccc3ncsc3c2)cc1,-1.3978520631790161
Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.078453540802002
O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.343287706375122
C[C@H](CCc1ccccc1)C(=O)NC[C@H]1CCC[NH+](C)C1,-1.5431076288223267
Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204708576202393
Cc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2)cc1,-1.2925574779510498
O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@H]1O,-1.1991976499557495
C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](c2ccc(Br)cc2)C1,-0.9871023297309875
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1F,-0.9235315322875977
C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)CC1,-0.9152564406394958
O=C(COc1ccccc1)OCc1ccccc1,-1.7576887607574463
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4967536926269531
O=C(NC1CCCN(c2ccccc2F)C1)c1ccc(Cl)cc1,-0.9054099321365356
Cc1ccc(CN(C)C(=O)c2c(C)cc(Br)cc2C)cc1,-0.8707064986228943
COc1ccc(CC(=O)Nc2cccc(OC)c2)cc1,-1.591202735900879
c1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1,-1.308493733406067
Oc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3266520500183105
c1ccc(Cc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1,-1.175118327140808
CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.4546452760696411
O=C(Cc1ccccc1)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.3271102905273438
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9996894001960754
Cc1ccc(N2CCC[C@H](NC(=O)N3CCCCCC3)C2)cc1,-1.2742096185684204
O=C(c1ccc(I)s1)N1CCC(O)(Cc2ccccc2)C1,-1.306939959526062
Clc1ccc(COc2cc(Cl)ccc2-c2ccccc2)cc1,-1.1035990715026855
C[NH+]1CCN(c2ccccc2C(=O)Nc2ccccc2Cl)CC1,-0.9539114236831665
O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318579792976379
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.030866026878357
Cc1csc(-n2nccc2C(=O)Nc2ccc(F)cc2)n1,-1.020080327987671
O=C(CC[C@@H]1CCCCO1)Nc1ccc(N2CCOCC2)cc1,-1.5801420211791992
O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5191621780395508
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)cc1,-0.9694157838821411
Nc1ccc(CCN2CCN(C(=O)c3ccncc3)CC2)cc1,-1.272175669670105
CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-0.8277012705802917
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172260165214539
O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.268330693244934
C[C@@H]1CCCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1,-1.2463873624801636
COc1ccc(CNC(=O)c2cc(C)no2)cc1,-1.6181659698486328
C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccn2)C1,-1.6362417936325073
O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1Cl,-0.7366389036178589
O=C(NC1CCC([NH+]2CCOCC2)CC1)c1ccc(F)cc1Cl,-0.8761701583862305
Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2108465433120728
O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-1.0238471031188965
O=C(NC1CCCCCC1)N1CCCC[C@H]1c1ccc(Cl)cc1,-1.1676490306854248
O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0417194366455078
O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1N1CCCCC1,-0.6750777959823608
Nc1ccc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cc1,-1.046339988708496
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cn1,-0.9980486631393433
Cc1cc(O)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.1063426733016968
C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](C)C2)C1,-1.3124414682388306
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.0413398742675781
CC1(C)C[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccccc1,-1.4169528484344482
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.149155616760254
Cc1ccc(CC(=O)NCc2cc3ccccc3o2)cc1,-1.5163867473602295
COc1ccc(C[NH+]2CCn3nc(-c4ccccc4)nc3C2)cc1,-0.9450580477714539
O=C(NC[C@H]1CCCCO1)Nc1ccc(Br)cc1,-1.5740636587142944
Cc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc(Cl)c1C,-0.7311192750930786
Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(F)c1,-1.1017210483551025
O=C(Nc1ccc(Cl)cn1)N1CCC[C@H](CC(F)(F)F)C1,-0.9740191102027893
O=C(CCCc1ccc(O)cc1)NCc1ccc(O)cc1,-1.569770336151123
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(I)cc2)CC1,-1.3883951902389526
CC(C)(O)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6653848886489868
Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.457911729812622
O=C(c1cccc2cc(F)cnc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.3766593337059021
O=C(c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.8776043057441711
O=C(N[C@H]1CC[NH2+]C[C@@H]1F)c1ccc(-c2ccc(F)cc2)nc1,-0.8325779438018799
Nc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0558055639266968
C[C@@H]1C[NH+](CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@H](C)O1,-0.9618130326271057
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.2815778255462646
Cc1ccc(C(=O)NCc2nc3ccc(F)cc3o2)cc1,-1.1575374603271484
C[NH+]1CCC(CNC(=O)NC2CCCCC2)CC1,-1.6404955387115479
Cc1ccc(CNC(=O)[C@H]2CCCC3(CCOCC3)C2)s1,-1.4898462295532227
C[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.87837153673172
O=C(Nc1ccccc1F)c1ccc(Cl)cc1,-1.4279130697250366
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2388890981674194
Fc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1c1cccc(Cl)c1,-0.6821117997169495
Cn1ncc2ccc(C(=O)NCc3ccc(F)cc3)cc21,-1.0058246850967407
Cc1ccccc1NC(=O)C[NH+]1CCN(C2CCOCC2)CC1,-1.4278080463409424
O=C(O)CC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.543519377708435
C[NH+]1CCC(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1,-1.242604374885559
CC(C)CCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1,-0.9612659811973572
O=C(CCc1ccc(Br)cc1)NCCc1ccc(Br)cc1,-1.3334542512893677
C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.073853850364685
Clc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.2541649341583252
C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(F)cc1,-1.5941740274429321
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5269097089767456
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.8859346508979797
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3008068799972534
O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1,-1.2997558116912842
CCCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.662519097328186
O=C(c1ccc(O)cc1Cl)N1CCCC[C@H]1Cc1ccccc1,-1.0139878988265991
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.150355577468872
COC1CCN(C(=O)C[NH+]2CCCC[C@@H]2c2ccccc2)CC1,-1.3593370914459229
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1036688089370728
Cn1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cn1,-0.8094356060028076
Cc1cc(F)ccc1NCCC(=O)Nc1ccc(Br)cc1,-1.0810760259628296
Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,-0.949948251247406
CC(C)(C)[S+]([O-])c1cc(Cl)ccc1NC(=O)c1ccc(O)cc1,-0.7789806127548218
c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0850533246994019
NS(=O)(=O)c1ccccc1CNCc1ccc(F)cc1,-1.476711630821228
CS(=O)(=O)C1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.1129258871078491
Nc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.1912469863891602
COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1,-1.1569744348526
CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2407164573669434
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)C1,-1.1883492469787598
CCCCN=C(O)NC1CCN(C(=O)c2ccc(CC)cc2)CC1,-1.2072656154632568
Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1058295965194702
c1ccc(N2CCN(C3CC[NH+](Cc4ccco4)CC3)CC2)cc1,-1.3884897232055664
C[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1052335500717163
CCCCN1CC[NH+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.2268446683883667
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12,-0.9517773389816284
CC[C@H](F)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.120824933052063
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084668755531311
Clc1ccc(CNC2CCOC(c3ccc(Cl)cc3)C2)cc1,-1.1147297620773315
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056509017944336
Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0304844379425049
Cc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)CCO3)c1,-1.2918978929519653
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(O)cc1,-1.0883957147598267
O=C1N(Cc2ccccc2)CCN1Cc1cccc(Cl)c1,-1.379773736000061
Fc1ccc(CC2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1,-1.077512502670288
O=C1CN(c2ccccc2)CC1NCc1ccc(Cl)cc1,-1.2695467472076416
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5164103507995605
O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9491965174674988
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.1300265789031982
Cc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1,-1.1266282796859741
Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-0.9450688362121582
CCOc1ccc(NC(=O)S(=O)(=O)C2CCCCC2)cc1,-1.5413016080856323
CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.148611068725586
O=C(NCC1CCCCC1)[C@@H]1CC2(CCCCC2)C[C@@H]1O,-1.5353885889053345
Cc1ccc(C(=O)NC2CCN(c3ccc(F)cc3)C2)s1,-1.0385631322860718
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5303304195404053
CC(C)Oc1ccc(N2CCCN(CC(F)(F)F)CC2)cc1,-1.298903465270996
O=S1(=O)CC[C@@H](Cc2nc(Cc3ccccc3)no2)C1,-1.5549957752227783
Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)c1,-1.1341034173965454
O=C(Nc1ccc(-c2ccc(Cl)cc2F)cc1)C1CCCCC1,-0.8152995705604553
Cc1nc(COc2ccc(-c3ccccc3)cc2)ncc1Br,-0.9069699048995972
Cc1ccc(C[C@H](O)CNC(=O)c2ccc(O)cc2)cc1,-1.5312294960021973
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.2526566982269287
Nc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-0.9939203858375549
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.998153805732727
CC(C)CCOc1ccc(OCC(O)=NC(C)(C)C)cc1,-1.6107733249664307
N[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.19016432762146
O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.4588457345962524
CNc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9327966570854187
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1F,-1.0591500997543335
O=C(NC1CCCC1)c1cccc(N2CCC3(CC3)C2)c1,-1.4085545539855957
O=C(CNC(=O)c1ccc(I)cc1)c1ccc(Br)cc1,-1.214097261428833
CC(C)(C)C(=O)NC1C(=O)N(c2ccc(F)cc2)C1=O,-1.0031790733337402
Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1,-1.223955512046814
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0515642166137695
CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.598985195159912
Cc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(F)c2)C1,-1.025834560394287
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0306159257888794
O=C(C1CC[NH+](Cc2ccc(F)cc2F)CC1)N1CCCCC1,-0.9874168634414673
O=C(N[C@H]1CCCC[C@@H]1O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.1810390949249268
Cc1ccc(C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.162574291229248
Cc1ccc(NC(=O)c2cc(O)ccc2C(C)C)c(Br)c1,-0.7946650385856628
CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1,-0.9935104846954346
Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.0711772441864014
O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.803717851638794
Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1cccc(O)c1,-1.2470098733901978
Cc1cc(Cl)ccc1NC(=O)c1cn(-c2ccccc2)nc1C,-0.7196946144104004
O=C(COc1ccccc1)N1CCCCC1c1ccc(F)cc1,-1.3124079704284668
Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.0594311952590942
Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1F,-1.0717302560806274
COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5174341201782227
O=C(N[C@@H]1CCc2ccccc2C1)[C@H]1CC[NH+](C2CCCC2)C1,-1.0555057525634766
CS(=O)(=O)C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.228126883506775
O=C(NCc1ccc(Cl)cc1F)N1CCC2(CCCC2)C1,-1.1403100490570068
CC(F)(F)CC(=O)Nc1ccc(Cc2ccccc2)cc1,-1.5225402116775513
CCCCC(=O)N1CCC(CNC(=O)C(C)(C)C)CC1,-1.568274974822998
O=C(NCc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1,-0.8945123553276062
O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4240623712539673
O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0640360116958618
COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1,-1.0478839874267578
CC(C)C(=O)N1CCC(NC(=O)Cc2ccccc2Cl)CC1,-0.9825944900512695
CCOc1ccc(OCCN2CCN(C)CC2)cc1,-1.6566120386123657
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1,-0.9884691834449768
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC2CCCC2C1,-0.7737840414047241
O=C(NCc1ccc(N2CCSCC2)cc1)C1=COCCC1,-1.4288021326065063
O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.258238434791565
Nc1cnc(-c2ccc(I)cc2)c(NCc2ccccc2)n1,-0.8050997853279114
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1573753356933594
Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1949896812438965
CCN(NCc1ccccc1)c1ccc(F)cc1Cl,-1.399030089378357
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2)CCS1,-1.0844597816467285
Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1,-1.3781434297561646
Cc1ccc([C@@H]2CCCC[C@H]2NC(=O)N2CCC[NH2+]CC2)cc1,-1.2102978229522705
Cc1cccnc1C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1,-0.9116466641426086
O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6724348068237305
O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9725282788276672
O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)CC(c1ccccc1)C2,-0.9387679100036621
Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2766063213348389
O=C(Nc1ccc(F)cc1Br)c1ccc(N2CCCCC2)cc1,-0.8570775985717773
CC1CN(Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.3549318313598633
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3746223449707031
C[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCCO2)C1,-1.7054979801177979
O=C(NC1CC2(CCC2)C1)c1cc(-c2ccccc2)on1,-1.552454948425293
C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.2062312364578247
Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.152104139328003
COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0026617050170898
O=S1(=O)CC[C@H](NCc2csc(-c3ccccc3)n2)C1,-1.4790555238723755
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0761971473693848
O=C(Nc1ccccc1F)[C@H]1CCCC[C@@H]1c1cccc(Cl)c1,-0.9574220776557922
Fc1ccc(C[C@H]2C[NH+](Cc3ccc(F)cc3)CCO2)cc1,-1.381079077720642
CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3714849948883057
Cc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c1,-1.355238676071167
O=C(Nc1ccccc1)N1CCC(c2ccc(Cl)cc2Cl)CC1,-0.933327317237854
CCCCC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.2655222415924072
CCC1CCN(C(=O)NCc2ccc(Br)s2)CC1,-1.1543370485305786
Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9977689385414124
Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9647498726844788
Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Br,-1.2230808734893799
O=C(Nc1ccc(-c2ccccc2)cc1O)c1ccc(F)cc1,-1.1222810745239258
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3300976753234863
C[C@H](CCC[NH+]1CCOCC1)NC(=O)c1cc2ccccc2o1,-1.4773565530776978
O=C(Cc1ccccc1)NCCC[NH+]1CCc2ccccc2C1,-1.4933857917785645
Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)s1,-1.0908830165863037
O=C(CCc1ccccc1)N1CC[C@@H](C(=O)N2CCCC2)C1,-1.4929933547973633
CC1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9603967666625977
N#CCc1ccccc1C(=O)NCC1CCOCC1,-1.594920039176941
Cc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1,-1.4965300559997559
Cc1cc(F)ccc1NC(=O)COc1ccc(Cl)c(Cl)c1,-0.9618179798126221
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C)cc2)cc1,-1.148705244064331
Cc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1,-1.4688431024551392
CC1(C)CN(Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.5319794416427612
[NH-]c1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2515958547592163
Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8664113283157349
CC[C@H](C)C(=O)N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.1683070659637451
O=C(c1ccc(Cl)cc1O)N1CCC(Oc2ccccc2)CC1,-1.2385156154632568
Cn1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)n1,-0.8302721977233887
CC[NH+]1CC[C@@H](NC(=O)c2ccc3c(c2)CC(=O)N3)C1,-1.2242870330810547
O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45741158723831177
O=C(CN1CCOCC1)Nc1cccc(N2CCCC2=O)c1,-1.5007386207580566
Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2536187171936035
C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.52962064743042
CC1(O)CC[NH+](CC2CCN(Cc3ccccc3)CC2)CC1,-1.557126760482788
Cc1ccc(-c2ccc(OCc3ccc(O)cc3)cc2)cc1,-1.4703599214553833
Clc1ccc(OC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1,-1.3827815055847168
Cc1cc(O)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1762871742248535
CCc1nccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1,-0.8514872193336487
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.2342129945755005
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0356184244155884
c1ccc(-c2nc(CNCc3cccs3)cs2)cc1,-1.5286455154418945
O=C(NCCC[NH+]1CCCCC1)c1cc(Cl)c2ccccc2n1,-0.803462564945221
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0100878477096558
Cc1nc(CCN=C(O)COCc2ccc(F)cc2)cs1,-1.4854704141616821
CC(O)=Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C,-0.9116925597190857
CC(C)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1,-1.5067487955093384
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2,-1.0561162233352661
O=C(CCc1ccccc1)N1CCCC(Cc2ccccc2)C1,-1.519336223602295
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9748340845108032
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0928122997283936
Cc1ccc(-c2ccc(Cl)cc2OCc2ccccc2)cc1,-1.3748657703399658
O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)N1CCCCCC1,-1.115827202796936
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.9011740684509277
CC(C)c1ccc(NC(=O)CN2CCCC(C)(C)C2)cc1,-1.3736085891723633
c1ccc(-n2ccnc2CNCC2CCCC2)cc1,-1.6318978071212769
COc1ccc(COc2ccccc2C(C)C)cc1,-1.5788469314575195
O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-1.2296069860458374
c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3024522066116333
CC(C)[C@@H](O)C(=O)Nc1ccc(Cc2ccccc2)cc1,-1.5286083221435547
Cc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6848480701446533
CC1(O)CN(C(=O)Nc2cccc(C(C)(C)C)c2)C1,-1.5711212158203125
C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccccc1,-1.0623818635940552
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(N)n1,-0.8837961554527283
C[C@H](NC(=O)c1ccccc1)C(O)=NCCc1ccccc1,-1.5808796882629395
C[C@@H]1CCCN(c2ccccc2C(=O)NC2CC[NH+](C)CC2)C1,-1.0544548034667969
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.954222559928894
O=C1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.5275558233261108
CCCOc1ccc(NC(=O)N2CCCC[C@H]2C)cc1,-1.5571298599243164
O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2o1,-0.9977681636810303
CN1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1,-1.4464553594589233
CC(C)(O)[C@H]1CCCN(C(=O)Nc2cc(F)ccc2F)C1,-1.029115080833435
CCc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C3)cc1,-1.1786543130874634
Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.465198278427124
[NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.2950419187545776
O=C(Nc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1,-1.4900940656661987
O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0599101781845093
CC1CCN(C(=O)Cc2ccc(C[NH+]3CCOCC3)cc2)CC1,-1.4555089473724365
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.77342289686203
Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1081793308258057
Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.4106566905975342
Oc1ccc(-c2ccc(CNc3ccc(Br)cc3)cc2)cc1,-1.2396361827850342
Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.168399453163147
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0381532907485962
C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2F)C1,-1.0271064043045044
O=C(NC1CCCC1)C(=O)N[C@@H]1CCC2(CCCC2)C1,-1.5781466960906982
C[C@H](Cc1cccs1)C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.3986560106277466
CC(=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-1.0176072120666504
O=C(NC1(c2ccccc2)CCCC1=O)c1ccc(Br)cc1,-1.2154772281646729
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1670928001403809
O=C(Nc1ccnn1-c1nc2ccccc2s1)c1ccccc1,-0.9156206250190735
[NH3+][C@H]1CCC[C@@H](NC(=O)C2CCN(c3ccc(Cl)cc3)CC2)C1,-0.96805739402771
CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.3061633110046387
Cc1ccccc1N1CCN(C(=O)Nc2ccc(N)cc2)CC1,-1.0854058265686035
C[C@@H]1CCCC[C@H]1CNC(=O)COc1ccccc1Cl,-1.2894173860549927
O=C(N[C@H]1C[C@@H]1C1CCOCC1)N1CCC[C@@H]1c1ccccc1,-1.2295154333114624
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764913320541382
Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cs1,-0.9404181838035583
CC(=O)N1CCCC[C@@H]1NC(=O)Cc1ccc(I)cc1,-1.2022004127502441
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.2001274824142456
O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1,-0.8995464444160461
O=C(c1ccccc1)N1CCN(Cc2ccc(Br)cc2F)CC1,-0.9350696206092834
c1ccc(CNCC2CC(c3ccccc3)C2)cc1,-1.6504795551300049
O=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2Cl)CC1,-0.8509005308151245
CC(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)[NH+](C)C,-1.1951981782913208
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.012551188468933
O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Cl)cc1,-1.4251580238342285
CCOc1cccc(NC(=O)c2cc(Br)cs2)c1,-1.486659288406372
COc1ccc(CN2CC[C@H](c3ccc(F)c(F)c3)C2)cc1,-1.153899908065796
CC(Cc1noc(-c2ccc(Cl)cc2)n1)Sc1ccccc1,-1.0143225193023682
c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.2512753009796143
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0306055545806885
O=C(Nc1ccc(F)cc1Br)N1CCN(c2ccccn2)CC1,-0.7746098041534424
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5562114715576172
O=C(Nc1ccc(S)c(Cl)c1)N1CC[C@H](c2ccsc2)C1,-1.0446523427963257
Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1500287055969238
Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.2002348899841309
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.158471703529358
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-1.1014084815979004
Cc1ccc(CN2CCN(C(=O)C(C)[S+]([O-])C(C)C)CC2)cc1,-0.9393871426582336
Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.108642578125
C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.169763445854187
COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0206788778305054
O=C(Nc1ccc(O)cc1F)c1ccc(N2CCCCC2)nc1,-0.9687681198120117
C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2203614711761475
Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9646010398864746
CCN(CC(=N)O)C(=O)Nc1ccc(C)cc1,-1.7065539360046387
O=C(Cc1ccccc1O)Nc1ccc(C(F)(F)F)cc1,-1.4006608724594116
Cc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5614936351776123
O=C(NCC1CCOCC1)Nc1cccc(O)c1,-1.6814943552017212
COc1ccc(CN(C)Cc2ccc(F)cc2)cc1,-1.5855884552001953
C[NH+]1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1,-1.3512970209121704
Cc1cnc(NC(=O)NC[C@@H]2CCCC[C@H]2O)s1,-1.4325932264328003
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1931930780410767
CC(C)CN1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.946550726890564
Cc1ccc(CNC(=O)c2cn3cc(F)ccc3[nH+]2)cc1,-1.2936092615127563
CCCCNC(=O)c1ccc(CN2CCOCC2)cc1,-1.6205414533615112
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0948729515075684
O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1,-1.2128537893295288
CCc1ccc(C(=O)NCC(O)=Nc2ccc(Br)cc2)cc1,-1.198344349861145
O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(F)c(O)c1,-1.1213046312332153
Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl,-1.0463223457336426
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1621358394622803
O=C(NCC(O)=Nc1ccc(F)c2cccnc12)c1ccc(F)cc1,-0.6456670761108398
Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.4105613231658936
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0255500078201294
Cc1ccc(C)c(NC(=O)CCCc2ccc(Br)cc2)c1,-1.228273630142212
O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1Br,-0.9448695778846741
Cc1ccc(NC(=O)COc2ccc(Br)c(Cl)c2)c(C)c1,-0.9058193564414978
CC[C@H](F)C(=O)Nc1ccc(C[NH+]2CCC[C@H](O)C2)cc1,-1.4338713884353638
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(N)c1,-1.0459955930709839
O=C(Nc1cc(F)ccc1Br)N1CCCC[C@H]1c1ccccc1,-0.8301408290863037
Fc1ccc(CNc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.0944253206253052
O=C(NCc1cc(F)ccc1Cl)c1ccc2c(c1)CCN2,-0.8010024428367615
O=C(N[C@H]1CCN(c2nc3ccccc3[nH]2)C1)C1CCCCC1,-0.9648585915565491
C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCOCC1,-1.4099452495574951
O=C(N[C@@H]1CC[NH+]([C@@H]2CCC(F)(F)C2)C1)c1ccccc1,-1.2419829368591309
Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)on1,-1.0945117473602295
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.342254877090454
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2804808616638184
O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.907120406627655
O=C(Nc1ccc(C2CCOCC2)cc1)c1cc(Cl)ncc1O,-0.887344241142273
O=C(NCc1ccc(O)cc1)c1cc2cccc(Br)c2o1,-1.083654761314392
COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-0.9033597111701965
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Br,-0.942824125289917
Cc1ccccc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-0.976224958896637
Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9747733473777771
O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8845124244689941
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.1752538681030273
O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.0917099714279175
Cc1cccnc1-c1ccc(NC(=O)N2CCC(C)CC2)cc1,-1.0117990970611572
CC(C)C(=O)NC[C@H](c1ccccc1)c1ccc(F)cc1,-1.4088495969772339
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1354920864105225
O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.138765573501587
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3570058345794678
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)nc2)c(N)c1,-1.1323001384735107
Cc1ccc2ccc(NC(=O)N3CCC(CCO)CC3)cc2c1,-1.2231026887893677
Cc1ccc(NCc2ccc(-c3ccccc3)nc2)cc1C,-1.2099804878234863
Cc1ccc(C(=O)NC2(c3cc(Cl)ccc3Cl)CC2)cn1,-0.8257254362106323
O=C(Nc1ccc(-c2cccs2)cc1)c1cc2ccccc2s1,-1.0068554878234863
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2cn[nH]c2c1,-1.084734559059143
Nc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCCCC2)c1,-0.9190344214439392
CC1(C)CN(CCCNC(=O)c2ccc(Br)cc2)CCO1,-1.4725443124771118
Cc1ccc(CNc2ccc(-c3nncn3C)cc2)cc1C,-1.0442698001861572
C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCCO1,-1.3980084657669067
O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(F)cn1,-1.0144232511520386
CC1C[NH+](CC(=O)NC2CCCCC2)CCN1c1ccccc1,-1.4913657903671265
CN(Cc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1,-0.9094986915588379
CC(=O)Nc1ccccc1,-1.9882251024246216
OC(=NCc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)C1,-1.2006103992462158
Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3334267139434814
CC[C@H](C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1,-1.3431936502456665
Cc1nc(Nc2ccccc2)cc(Nc2ccc(F)cc2)n1,-1.0576175451278687
Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4784477949142456
c1ccc(Cc2nc(C[NH+]3CCC4(CCCC4)C3)co2)cc1,-1.5378259420394897
Nc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9065124988555908
Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858083009719849
O=C(NCc1ccc(Cl)cn1)N1CCC2(CC1)OCCO2,-1.468618631362915
Cc1nc(F)ccc1C(=O)NCc1ccc2c(c1)OCO2,-1.0611628293991089
Cc1ccc(CC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1,-0.7368886470794678
O=C(Nc1ccccc1Cl)C1CCN(c2cccc(F)c2)CC1,-0.8904856443405151
O=C(N[C@@H]1CCOC[C@@H]1c1cccc(F)c1)c1ccccc1O,-1.244127869606018
Cc1ccc(C2CCN(C(=O)Nc3ccccc3Br)CC2)cc1,-1.0519095659255981
O=CNc1ccc(Cl)cc1,-1.8955529928207397
Cc1nnc(N2CC[C@H](NC(=O)c3cccc(O)c3)C2)s1,-1.0335235595703125
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.085314154624939
O=C(NC[C@H]1CC2(CCCC2)CCO1)c1cccc(F)c1,-1.5392227172851562
Cc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1,-1.3911253213882446
Fc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.0617718696594238
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.5182831287384033
Cc1ccc(C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1625094413757324
O=C(COc1ccccc1[O-])N1CCN(c2ccccc2)CC1,-1.412062168121338
Cc1nc2ccc(NC(=O)COc3ccccc3)cc2o1,-1.5553983449935913
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5306154489517212
C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2cccc(F)c2)C1,-1.061384677886963
C[C@H]1CCCCCN1C(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1,-0.906749427318573
O=C([C@@H]1CCCC[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.2074381113052368
Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Br,-1.1550277471542358
Cc1ccc(-n2c(C)nnc2SCc2ccccc2Cl)cc1,-0.6712305545806885
Cc1ccc(CN2CCN(C(=O)c3ccc(Br)s3)CC2)o1,-1.0486903190612793
CC(C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1,-1.4054826498031616
Cc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1C,-1.0209821462631226
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0216983556747437
C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2Cl)C1,-0.9541743397712708
O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2O)nc1,-1.1454005241394043
C[NH+]1CCN(CCC(=O)Nc2ccc(C3CC3)cc2)CC1,-1.4605743885040283
C[NH+]1CCC(NC(=O)c2ccc(N3CCNC3=O)cc2)CC1,-1.2222164869308472
O=C([C@H]1COc2ccccc2C1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.6638607978820801
Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0096194744110107
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)nc1,-1.036189317703247
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5095709562301636
CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.4194726943969727
C[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccccc1,-1.5527958869934082
CC1(C)CCC[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1,-1.3360954523086548
Cc1ccccc1C1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1,-1.1744287014007568
Nc1ccc(COc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.314523458480835
O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.6886844038963318
Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9886718392372131
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700050592422485
Cc1ccc(-c2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)cc1,-0.6745851635932922
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]cnc2c1,-0.8164578080177307
C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1c1ccc(F)cc1,-1.2269710302352905
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2467052936553955
Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9816383123397827
CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0447547435760498
O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.8970465064048767
O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.6808463335037231
C[C@@H]1C[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CO1,-1.4867392778396606
Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9310771226882935
O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[C@H]1c1ccccc1,-1.1017156839370728
OC1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3133540153503418
C[NH+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)C1,-0.6993901133537292
[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.0177428722381592
O=C(N[C@H]1CCCO[C@@H]1c1ccc(Br)cc1)c1ccccc1O,-1.1672927141189575
Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1,-1.1320102214813232
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0406792163848877
Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1,-0.7239493131637573
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5010859966278076
O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5374728441238403
Cc1nc(CNC(=O)Cc2ccc(Cl)c(C)c2)cs1,-0.9770222306251526
O=C(Cc1ccc(Br)cc1)NCc1ccc2nccn2c1,-1.2964597940444946
COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4058879613876343
NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1289483308792114
C[C@@H]1C[C@H](NC(=O)N2CCC(c3ccccc3F)CC2)CCO1,-1.0693179368972778
O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1,-1.1330779790878296
c1ccc(CNCC2(c3ccccc3)CCC2)cc1,-1.688483476638794
Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3501977920532227
Nc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-0.9170141816139221
O=C(NCC1CCOCC1)Nc1ccc(Br)nc1,-1.5350933074951172
CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5135992765426636
O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5731059312820435
C[C@@H]1CC(CNC(=O)c2cc3ccccc3o2)C[C@@H](C)O1,-1.3582323789596558
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.8918761014938354
Cn1cc(OCC(=O)Nc2ccc3c(c2)CCCC3)cn1,-1.4655765295028687
O=C(NCc1cc2ccccc2s1)[C@@H]1CCC2(CCOCC2)C1,-1.24320387840271
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8665812015533447
O=C(c1ccccc1)N1CCC([C@@H](O)Cc2ccccc2)CC1,-1.4681698083877563
C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.9794908165931702
N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1,-1.1893211603164673
O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccn(C2CCCCC2)n1,-1.1095672845840454
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1625422239303589
O=C(CCN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1,-1.4441163539886475
O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CCOCC2)C1,-1.1733348369598389
CCCCC(=O)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5341787338256836
Nc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0752100944519043
O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272115588188171
Nc1ccc(NC(=O)[C@H]2CCC[NH+](C3CCCCC3)C2)c(F)c1,-0.913486659526825
Nc1ccccc1-c1ccc(NC(=O)c2ccccc2)cc1F,-1.0220998525619507
Cc1ncsc1CNC(=O)Nc1ccc(I)cc1,-1.1420553922653198
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8742395043373108
Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9815265536308289
Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1,-1.1316378116607666
C[NH+]1C[C@H](NC(=O)c2cccs2)[C@@H](c2ccc(F)cc2)C1,-1.1970711946487427
O=C(Nc1ccc(Cl)cc1F)C1CC[NH+](C2CCOCC2)CC1,-0.9642221331596375
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Br)c1,-1.0533568859100342
O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112736940383911
Fc1ccc(CNC2CCN(c3cccc(Br)c3)CC2)cc1,-1.1567764282226562
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0351860523223877
O=C(c1ccccc1O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2406306266784668
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9476091861724854
O=C(N[C@@H]1CCCC[C@@H]1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8076573014259338
Cc1ccc(CNC(=O)c2cc3cc(O)ccc3s2)cc1,-1.1065433025360107
O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.4707261323928833
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312156677246094
O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.331419587135315
Cc1cccc(N2CCC(NC(=O)c3ccccc3O)CC2)c1,-1.262752890586853
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,-1.1018967628479004
Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)no1,-0.9965752959251404
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1,-0.975447416305542
Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.1145111322402954
O=C(Cc1cccc2[nH]ccc12)NCc1ccc(Br)cc1,-1.1908646821975708
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0915836095809937
Cc1cccnc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-0.9324391484260559
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.024552345275879
Cc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1,-0.9358408451080322
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5153000354766846
Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4866011142730713
O=C(NCc1cccc(F)c1)N1CCCC2(CCCC2)C1,-1.4985790252685547
O=C(Nc1ccc(Cl)nc1)N1CCCN(c2ccccc2)CC1,-1.129957914352417
Nc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5651048421859741
O=C(c1c[nH]c2ccccc12)N1CC[NH+](Cc2ccco2)CC1,-1.1990835666656494
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.243483066558838
O=C(NCc1ccc(O)c(F)c1)c1cn2ccccc2[nH+]1,-1.1628141403198242
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5280861854553223
C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.032947301864624
Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1,-1.1630107164382935
C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.055454969406128
Fc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.158449649810791
COc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)C2)c1,-1.611685872077942
Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2949066162109375
C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3F)cc2)CC1,-1.0526301860809326
C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)CCN3)CC1,-1.2292468547821045
Oc1ccc(COC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.3086192607879639
C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.1880000829696655
Nc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9930581450462341
Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Cl)c2)n[nH]1,-1.1304619312286377
C[C@@H](O)C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.1273798942565918
O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8706789016723633
Cc1ccc(NC(=O)N2CCC(C3CCCCC3)CC2)c(Cl)c1,-0.8590250611305237
O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Br,-1.091770887374878
CN1CC[C@H](NC(=O)N2CCC(c3ccccc3)CC2)C1=O,-1.1056203842163086
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9382975697517395
O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.1101880073547363
O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(O)cc1,-1.0110305547714233
Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)n[nH]1,-1.090781331062317
O=C(Cc1ccc(Br)cc1)NCC(=O)c1ccccc1,-1.4850057363510132
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2ccc(F)cc2)CC1,-0.754638671875
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9651982188224792
Clc1ccc(-c2noc(C[NH+]3CCN(NN=Cc4ccccc4)CC3)n2)cc1,-0.9046182036399841
O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(F)nc1,-0.9261356592178345
CCc1ccccc1NC(=O)C1CC[NH+](C2CCCCC2)CC1,-1.2973920106887817
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5775223970413208
O=C(Nc1ccc(N2CCCCC2)cc1)C1CC(F)(F)C1,-1.1978950500488281
Cc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1,-1.2558871507644653
COc1ccc(NC(=O)CN=C(O)Cc2ccccc2)cc1,-1.5568138360977173
Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2073588371276855
CN1CCCc2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ccc21,-0.8062074184417725
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.0042003393173218
Cc1[nH]c2c(c1CC(=O)N1CCC(c3ccc(F)cc3)CC1)CCCC2,-0.46105530858039856
Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cn1,-0.9266492128372192
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(I)cc1O,-0.9533863663673401
CC(C)CC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1,-1.5338165760040283
Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1796175241470337
CC(c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0519758462905884
O=C(N[C@H]1CCCO[C@H]1c1cccc(F)c1)c1ccccc1Cl,-1.0730388164520264
O=C1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+]2C2CCCCC2)N1,-1.3166484832763672
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1c1ccccc1,-0.7620943188667297
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.1776946783065796
C[C@]1(O)CCN(C(=O)NCc2ccc(F)c(F)c2)C1,-1.3299140930175781
Oc1ccc(CO[C@@H]2CCCN(c3ccc(F)cc3)C2)cc1,-1.3932647705078125
O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718955993652344
CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1,-0.6868212223052979
C[NH+]1CC[C@](O)(COC(=O)Cc2ccc(Cl)cc2)C1,-1.599024772644043
O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4276922941207886
Cc1ccc(CNC(=O)N2CCC3(O)CCCC3C2)cc1,-1.4300659894943237
O=C(N[C@@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.1438781023025513
Cc1ccc(OCC(=O)N[C@H]2CCCC[NH+](C)C2)c(C)c1,-1.4107325077056885
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092625617980957
O=C(CNCC(F)(F)F)N1CCN(c2ccccc2)CC1,-1.211026906967163
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccncc1Cl,-0.8128367066383362
CC1CCN(C(=O)NCC(C)(O)Cc2ccccc2)CC1,-1.6227622032165527
Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1776765584945679
O=C(N[C@@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1cccc(F)c1,-1.0209537744522095
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9438738226890564
Cc1ccccc1N1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1,-1.0405594110488892
CCCCCCCCCCCCCCCCCCCCNC(=O)OCCCCCCC,-1.6073479652404785
Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC(CCO)CC1,-1.076112151145935
O=C(Nc1nc2ccccc2s1)c1cnn(-c2ccccc2)n1,-0.8280399441719055
Fc1ccc(CNC2CCCCC2c2ccc(Cl)cc2)cc1,-1.12138831615448
Cc1cccc(N2CCCN(C(=O)NC3CCCCC3)CC2)c1,-1.2431907653808594
Cc1cc(F)ccc1NC(=O)c1ccc(C2CCCCC2)cc1,-0.9800208210945129
Fc1ccc(CNc2cc(-c3ccccc3)nc(S)n2)cc1,-0.9553480744361877
O=C(CNc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,-1.1848200559616089
Cc1ccccc1C(=O)Nc1ccc(Br)cc1-c1ccccc1,-1.070763111114502
COc1ccc(C(N)=O)cc1,-1.9296212196350098
O=C(N[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1ccccc1F,-1.0749393701553345
C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CC[NH+]1C,-1.486276626586914
Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.3980486392974854
O=C(c1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)CC1,-1.2926068305969238
COC(=O)c1ccccc1NC(=O)c1ccccc1,-1.597350835800171
Cc1cc(NC(=O)c2ccc(O)cc2)ccc1C(=O)[O-],-1.2966266870498657
O=C(Nc1ccc(F)cc1Cl)N1CCO[C@@H](c2ccccc2)C1,-1.148525595664978
CCCc1ccccc1N1CCN(C(=O)C(=O)N(C)C)CC1,-1.0684305429458618
Cc1cccc2cc(CNC(=O)N3CCO[C@H](C)C3)oc12,-1.288572907447815
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.164189100265503
O=C(O)c1csc(N2CCN(C(=O)c3ccccc3)CC2)n1,-1.0689258575439453
CC1(CNC(=O)c2ccc(N)cc2)CC2(CCCCC2)O1,-1.5748133659362793
CCC(C)(C)C(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.4691282510757446
NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1470403671264648
Nc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)C2)cc1,-1.5120162963867188
Nc1ccc(C(=O)N2CCN(CCN3CCCCC3)CC2)cc1,-1.3669604063034058
O=C(NCc1ccc(Br)cc1)N1CCC[C@]2(CCOC2)C1,-1.4550151824951172
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1059528589248657
O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)NC1CCCCCC1,-1.4974935054779053
Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[NH+]3C)CC2)nc1,-0.9535375237464905
CC[C@@]1(O)CCN(C(=O)N2CCN(c3ccccc3C)CC2)C1,-1.1816868782043457
O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9471724629402161
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846198797225952
O=C(NCCN=C(O)C[NH+]1CCCCC1)c1ccc(F)cc1,-1.492236614227295
Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.2894843816757202
O=C(c1ccccc1)N1CCC(Oc2ccc(Cl)cc2F)CC1,-1.0237051248550415
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.196170449256897
CN1CCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1,-1.1918210983276367
COCc1ccc(NC(=O)[C@H]2CCC2(C)C)cc1,-1.6031609773635864
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1,-0.9539710879325867
CC(C)Oc1ccc(CN2CCC(C(O)=NCCO)CC2)cc1,-1.4713516235351562
C[C@H](CCNC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-],-1.4432296752929688
Cc1ccccc1CN1CCN(C(=O)c2cccc(O)c2)CC1,-1.1926754713058472
O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-1.0315860509872437
C[C@H]1CCC[NH+](CC(=O)NCc2cc3ccccc3o2)C1,-1.509383201599121
Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2)cc1,-1.1525987386703491
Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0494705438613892
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2787965536117554
Cc1ccc(Br)cc1Oc1ccc(NC(=O)C(C)C)cc1,-1.080649495124817
O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1F,-0.9439130425453186
Cc1ccc(C(=O)N[C@@H](C)CCc2ccc(Cl)cc2)cc1,-1.2692813873291016
Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.038375973701477
C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9285300970077515
C[C@@](O)(C(=O)NCCc1ccccc1)c1ccc(F)cc1,-1.545722484588623
CCCCCCCCCCCCC(=O)Nc1ccc(OCCO)cc1,-1.5597350597381592
O=C(c1ccc(F)cc1)N1CCN(CCN2CCCCC2)CC1,-1.143326997756958
Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0855128765106201
CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2813512086868286
Cc1ccccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)c1,-1.2588918209075928
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.045527458190918
O=C(Cc1ccccc1F)N[C@H]1CCC[C@H](c2ccccc2)C1,-1.2416437864303589
CC(C)(C)NC(=O)N1CCN(c2ccc(Br)cc2N)CC1,-0.7840708494186401
[NH3+]C1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.2506325244903564
C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9428626894950867
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2438095808029175
O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5018185377120972
c1ccc(-c2ncc(CNCc3cccs3)o2)cc1,-1.5946147441864014
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.20600163936615
C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3668372631072998
CCOc1cccc(NC(=O)c2ccc(Br)o2)c1,-1.5267114639282227
COc1ccc(NC(=O)CCC(=O)N2CC[NH+](C)CC2)cc1,-1.503111481666565
Cc1cccc([C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[NH+]2C)c1,-1.0130528211593628
[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1,-1.2855291366577148
O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1,-1.1128566265106201
Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.1430891752243042
O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5782283544540405
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1822160482406616
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9587618112564087
Cc1ccc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2n1,-0.46423354744911194
Cc1cc(OCc2ccccc2)ccc1-c1ccc(Cl)cc1,-1.2333099842071533
O=C(NCc1ccc(I)cc1)c1cc2ccc(Cl)cc2o1,-0.8840485215187073
Cn1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1,-1.1643569469451904
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9962379932403564
Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1640125513076782
C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccc(F)cc1,-1.4239593744277954
O=C(NC1CCCCCC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.1019642353057861
Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.9573332071304321
NC(=O)C1CCCCC1,-2.0118157863616943
CC1CN(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2465296983718872
O=C1CCCN1c1ccc(F)cc1,-1.741578221321106
Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(F)n1,-0.9398859739303589
C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C)CC1,-1.0803143978118896
CC(C)[C@H](C(=O)NCc1cccc(Cl)c1)c1ccccc1,-1.2568159103393555
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.846602737903595
CCc1cc(C(=O)NCc2ccc(F)cc2)on1,-1.5696791410446167
Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.242112636566162
COc1ccc(C(=O)NCCN2CCCC2=O)cc1,-1.580783724784851
CCOc1ccc(NC(=O)CN=C(O)C2CCSCC2)cc1,-1.4813835620880127
O=C(NCC1CCCCC1)[C@H]1CCc2c(Cl)cccc2C1,-0.9308644533157349
O=C(Nc1n[nH]c2ccccc12)[C@@H]1CC[NH+](C2CCCCC2)C1,-1.0254441499710083
Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1O,-1.4893176555633545
NC(=O)CCCC(=O)NCc1ccc(N2CCCCC2)cc1,-1.524570107460022
Fc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CCCCC3)C2)ccc1Br,-1.0649784803390503
Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-0.9794514775276184
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536178350448608
O=C1C[C@H](C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCN1,-1.2800923585891724
Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-1.0465166568756104
Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.300339698791504
Nc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3433454036712646
Cc1cc(NC(=O)[C@H]2CCCO2)n(-c2cccc(F)c2)n1,-1.1072628498077393
COc1ccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)cc1,-1.050690770149231
O=C(Cc1ccc(O)cc1)NC[C@@H]1Cc2ccccc2O1,-1.5274816751480103
COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)sc2c1,-0.9336130023002625
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.908794641494751
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3O)c2)CC1,-1.1863014698028564
O=C([C@H]1CCCC(=NC2CCCCC2)C1)N1CCN(c2ccccc2)CC1,-0.889173150062561
Nc1c(F)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.130420446395874
O=C(NC1CCN(C2CCCCC2)CC1)c1cccc(=O)[nH]1,-1.2853436470031738
Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4876129627227783
O=C1CCCN1Cc1ccccc1,-1.8390573263168335
C[NH+]1CCC[C@H](C(=O)NC2(c3ccc(F)cc3)CCC2)C1,-1.3736008405685425
CC(=O)Nc1ccc(C(=O)N2CCSC(C)(C)C2)cc1,-1.221625566482544
Nc1ccc(C(=O)Nc2ccc(-c3ccccc3F)cc2)cc1,-1.0558141469955444
Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1987310647964478
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.1772242784500122
O=C(CNC(=O)c1ccc(F)cc1)c1cccc(Cl)c1,-1.225414752960205
C[NH+]1CC[C@@H](NC(=O)c2cccc(F)c2)C[C@@H]1c1ccccc1,-1.0669348239898682
Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0472137928009033
O=C1OC[C@@H](Cc2ccccc2)N1Cc1ccc(I)cc1,-1.3655431270599365
O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)C1CC(F)(F)C1,-1.1709237098693848
Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.049377202987671
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1018352508544922
Cc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.158320665359497
Cc1ccc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)o1,-1.0567084550857544
Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.5171451568603516
O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)nc1,-0.7071394324302673
Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@@H]2C)cc1,-1.4701682329177856
CC(=O)Nc1ccc(COC2CCCCC2)cc1,-1.6833100318908691
O=C(Nc1ccccc1)c1ccc(OCCCO)cc1,-1.6378538608551025
Cc1ccc(C(=O)NCC(O)Cc2cccc(F)c2)cc1,-1.549621343612671
CC(=O)Oc1ccc(COc2ccccc2)cc1,-1.7081173658370972
O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.6818692684173584
CCC1CCN(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1,-0.9510920643806458
c1ccc2c(c1)CCC[NH+]2Cc1ccc(C[NH+]2CCCCC2)cc1,-1.3564903736114502
Cc1n[nH]c2ccc(C(=O)NCc3cccc(Br)c3)cc12,-0.9355652332305908
Cn1cc(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cn1,-0.9440883994102478
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.1901137828826904
Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)nc1,-0.8635907769203186
COCC1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1,-0.8571286797523499
Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.283895492553711
C[C@H]1CCCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.240832805633545
Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4405567646026611
O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.1525830030441284
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9329490661621094
CCc1ncc(C(=O)N2CCN(c3ccc(Cl)cc3F)CC2)s1,-0.5216429829597473
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741629600524902
C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.965433657169342
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.9623785614967346
Fc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1,-1.0892090797424316
C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9859163761138916
Cc1ccc(CC(=O)NC(=O)c2ccc(F)cc2)cc1,-1.5718802213668823
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0799076557159424
O=C(NCC1CCCCC1)Nc1ccc(Cl)cc1,-1.572356104850769
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0625773668289185
O=C(c1ccsc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1,-1.3912705183029175
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9747975468635559
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+]3CCCCC3)C2)c(C)c1,-1.1311275959014893
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1675182580947876
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1O,-1.088387370109558
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382908821105957
CC[C@H]1CN(C(=O)NCc2cc(C)on2)CCO1,-1.6173537969589233
O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.486187219619751
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1,-1.198779821395874
CC(C)CC(=O)Nc1ccccc1Oc1cccc(Br)c1,-1.3443266153335571
Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.0480098724365234
C[C@H]1C[C@]2(CCO1)CN(C(=O)NCc1cccs1)CCO2,-1.561597228050232
C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6750106811523438
Cc1ocnc1NC(=O)c1ccn(-c2ccc(F)cc2)n1,-1.0462335348129272
O=C(NC1CCCCC1)c1ccc(F)cc1Cl,-1.1853139400482178
CN(Cc1ccc(Cl)nc1)C(=O)NC1CCCC1,-1.3343828916549683
Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9236175417900085
O=C(c1ccccc1N1CCN(C2CC2)CC1)N1CCCCC1,-1.1221600770950317
Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cn1,-0.9722093343734741
CC(C)(CC(=O)NCc1ccc(F)cc1)C1CCCCC1,-1.4463106393814087
O=C(NCc1ccc(F)cc1)N[C@@H]1CCCOC1,-1.7008452415466309
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.200801968574524
C[C@H]1CCCC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1,-1.4038925170898438
CC1(C)CN(C(=O)NC2(c3ccccc3)CCC2)CCO1,-1.5757871866226196
Cc1ccccc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-0.9403666853904724
Cc1cc(F)ccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1,-1.0374664068222046
CCOC(=O)c1ccc(CN2CC[C@H](O)C2)cc1,-1.6510628461837769
CC(=O)N1CCC(NC(=O)c2cncc3ccccc23)CC1,-1.0043712854385376
[NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0134745836257935
O=C(CCCc1ccccc1)NCc1ccc(F)c(Cl)c1,-1.4945443868637085
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N1CC[C@H](F)C1,-0.7835953831672668
O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(F)cc1,-1.0469417572021484
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.531273365020752
Cn1nnc2cc(C(=O)NCc3ccc(F)cc3)ccc21,-0.8964569568634033
OC1(Cc2ccccc2)CCN(Cc2ccc(Cl)cc2)CC1,-1.4875702857971191
O=CN1CCN(c2ccc(Cl)cc2)CC1,-1.6997731924057007
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1Cl,-1.0005431175231934
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0003697872161865
O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.8120771050453186
O=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)OCCO2,-1.4980731010437012
O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796748876571655
Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cc(F)ccc2F)cn1,-0.7259310483932495
O=C(NCCc1ccc(Br)cc1)N[C@H]1CCOC1,-1.5691624879837036
O=C(c1ccccc1O)N1CCC[C@@H](Cc2ccc(F)cc2)C1,-1.0746468305587769
[NH3+]CCCc1ccc(CNC(=O)[C@@H]2CCCCO2)cc1,-1.6164772510528564
Cc1cc(Br)ccc1-c1noc(COc2ccc(F)cc2)n1,-0.8825439214706421
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.3518767356872559
Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.265154480934143
Cc1cc(O)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.0843992233276367
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1,-1.062290906906128
Cc1ccc([C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)c(C)c1,-1.0430550575256348
O=C(Nc1nc2ccccc2o1)c1csc(N2CCCCC2)n1,-0.9257405996322632
CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH+](C)C2)CC1,-1.330074667930603
C[C@@H]1CCC[NH+](CCNC(=O)CCc2ccc(Cl)cc2)C1,-1.4574607610702515
CC(C)(C)C(=O)Nc1ccc(CN2CCOC2=O)cc1,-1.5347013473510742
C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.3001996278762817
Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1154345273971558
Cc1cc(-c2nc3c([nH]2)CCN(C(=O)NC(C)C)C3)no1,-0.641144871711731
Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1,-0.8712220191955566
OC(COc1ccc(-c2nn[n-]n2)cc1)=NCc1ccccc1,-1.371869444847107
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1197195053100586
Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.5164109468460083
C[NH+]1CC[C@@H](C(=O)Nc2nnc(-c3ccc(F)cc3)s2)C1,-0.8553515672683716
Cc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1,-1.390199065208435
COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.5030351877212524
C[NH+]1CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1,-1.4095594882965088
Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)O)CC2)cc1,-1.5301200151443481
C[NH+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.421555995941162
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2F)C1)c1ccccc1,-1.1933966875076294
Cc1ccc(CNC(=O)c2cc3ccc(N)cc3o2)cc1,-1.2034006118774414
Cc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-1.0162123441696167
O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2cccc(F)c2)CC1,-0.8470761179924011
Cc1ccc(C(=O)NC(C)CCc2ccc(O)cc2)cc1,-1.490748643875122
Nc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccccc2)c1,-0.9890921711921692
O=C(c1cc(O)c2ccccc2n1)N1CCCC[C@@H]1c1ccc(F)cc1,-0.5016542673110962
O=C(c1ccc(Br)cc1)N1CCC(c2ccc3c(c2)OCCCO3)CC1,-0.731597900390625
Cn1cc(NC(=O)c2ccoc2-c2cccc(F)c2)cn1,-1.1559498310089111
Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(Cl)c1,-0.9569023847579956
Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.196175456047058
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1209303140640259
c1ccc(OCC2CC(N3CCCC4(CCCC4)C3)C2)cc1,-1.5482189655303955
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0627321004867554
CCc1cccc(CNC(=O)N2CCC(O)C2)c1,-1.6320509910583496
O=C([C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)N1CCCCC1,-0.8315535187721252
C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3O)cc2)CC1,-1.085111141204834
Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4488390684127808
O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9606574773788452
CC1CCN(c2ccc(OC(=O)c3ccccc3)cc2)C1=O,-1.2692281007766724
Nc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.00732421875
O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)c1ccc2[nH]ccc2c1,-1.2560099363327026
O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(F)cc1,-1.1980257034301758
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943756103515625
Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccs2)n1,-0.9341771006584167
Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1N,-1.0844022035598755
O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.9746256470680237
O=C(c1ccccc1)N1CCNCC1,-1.786548137664795
Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.3285901546478271
Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.2134617567062378
O=C(N[C@@H]1CCO[C@H]1C1CCCCC1)c1ccc2cc[nH]c2c1,-1.221398115158081
O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1O,-1.0108187198638916
O=C(NCCCC1CCOCC1)C1CCCC2(CCOCC2)C1,-1.5510716438293457
CN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1,-1.232863187789917
Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480350255966187
CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.2617472410202026
O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](F)C1,-1.6356312036514282
O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.173130989074707
CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.6888936758041382
Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.2538725137710571
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.1022392511367798
O=C(Nc1ccccc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O,-1.081700086593628
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-1.0019196271896362
O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,-1.3281973600387573
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1,-1.0285053253173828
O=C(COc1cccc(Cl)c1)Nc1cccc2nsnc12,-1.1005241870880127
O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1Cl,-0.81106036901474
Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)c(Cl)c1,-0.8119967579841614
Cc1ccc(C(=O)NC2CC[NH+](CCC(C)(C)C)CC2)s1,-1.219906210899353
CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9021344780921936
Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1,-0.9799252152442932
O=C(c1ccccc1O)N1CCN(Cc2cccc(O)c2)CC1,-1.2426894903182983
COc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.5803544521331787
COC(=O)c1ccc(C(=O)NC2CCCCC2)cc1,-1.5907154083251953
Cc1ccc(CNCCC2CCCC(C)C2)s1,-1.6079621315002441
Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.371282696723938
Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2479859590530396
CC(=O)N1CCC[C@@H](C(=O)N[C@]2(C)CCC[C@H](C)C2)C1,-1.291561245918274
O=C([O-])CN1CCC[C@H](NC(=O)Cc2ccccc2)C1,-1.6061228513717651
Cc1cccnc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.8413892984390259
O=C(NC1CCCC1)C(=O)N1CCC(c2ccccc2)CC1,-1.3684746026992798
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1531009674072266
c1csc(CNCc2nc(C3CCCCC3)no2)c1,-1.5348191261291504
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.1772429943084717
C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCOC[C@H]1c1ccc(F)cc1,-1.182314395904541
Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1,-1.1968318223953247
O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.11064875125885
Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.2579764127731323
Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9639341831207275
O=C(NCc1ccc(O)cc1)[C@H]1COC2(CCCCC2)O1,-1.6010806560516357
C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5063191652297974
O=C(NC1CCCCC1)N1CCCC[C@@](O)(c2ccccc2)C1,-1.5059701204299927
O=C1C[C@H](C(=O)Nc2cccc(-c3ccccc3)c2)CCN1,-1.3760597705841064
O=C(Cc1cccc(Br)c1)NCc1ccc2[nH]cnc2c1,-1.1327300071716309
Cc1nc2ccc(CNC(=O)Cc3ccccc3)cc2s1,-1.1577171087265015
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2cccc(Cl)c2)nc1,-0.8151177167892456
CC(C)C(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1,-1.227952241897583
O=C(Cc1ccccc1)Nc1ccc2c(c1)CCS(=O)(=O)N2,-1.5109684467315674
CC1CCN(C(=O)COc2ccc(C3CCCCC3)cc2)CC1,-1.4703376293182373
O=C(NCc1ccc2c(c1)CCCO2)c1ccc(Br)cc1,-1.160010814666748
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccnc1F,-0.865490198135376
C=CC(=O)NCC(=O)NC(CC)c1ccccc1,-1.6687380075454712
CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4848331212997437
Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1,-1.044935941696167
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0661693811416626
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1,-1.0778864622116089
C[NH+]1CCC[C@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.0223313570022583
C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1Cc1ccccc1F,-1.0632359981536865
O=C1CCCC[C@H]1NC(=O)N1CCC(c2ccccc2)CC1,-1.2776908874511719
Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(C)c1,-1.1061944961547852
O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.3596316576004028
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.062684178352356
CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1,-1.4459768533706665
Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.1462942361831665
Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.342634677886963
C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.1118522882461548
Cc1ccc(C(=O)CNC(=O)c2ccc(C)n2C)cc1,-1.1851832866668701
O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCCN(C(O)=NC2CC2)C1,-1.0311394929885864
C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1,-1.1886365413665771
COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1945805549621582
Cc1cc(O)ccc1CC(=O)NCCc1ccc(Br)cc1,-1.3957068920135498
O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2836774587631226
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4655503034591675
Cc1ccc(NC(=O)N2CCCC[C@H]2CC(F)(F)F)nc1,-0.9515944123268127
O=C(c1ccccc1)N1CCN(CCc2ccc(O)cc2)CC1,-1.4686598777770996
O=C(CC1CCCCC1)NCc1ccc2c(c1)OCCO2,-1.5343642234802246
O=C(Nc1cccc(F)c1F)N1CCC[C@@H](c2ccccc2)C1,-0.9315375089645386
Cc1ccc(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.238928198814392
Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.207587480545044
Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1868535280227661
Cc1ccc(CCNc2nc(-c3ccc(Cl)cc3)cs2)cc1,-0.975764811038971
O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-0.9704434275627136
C[C@@H]1CCC[NH+](CC(=O)NCc2nc3ccccc3[nH]2)C1,-1.1977933645248413
Cn1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cn1,-1.1015517711639404
Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)cc1,-1.129183292388916
O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.5143154859542847
C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2223889827728271
Cc1ccc(C(=O)N2CCNCC2)cc1,-1.6920503377914429
Clc1ccc(CNc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.0426807403564453
CC(C)[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,-0.8539208173751831
C[NH+]1CCC[NH+](CCC(=O)NCc2ccc(Br)cc2)CC1,-1.4767810106277466
C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9254825711250305
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1,-0.9742098450660706
Clc1ccc(CN2CCC(c3ccccc3)=C[C@H]2c2ccccc2)cc1,-1.0143039226531982
CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.442824125289917
O=C(NCc1cccc(O)c1)N1CCOC2(CCCC2)C1,-1.581933617591858
Nc1ccc(-c2noc(CCOc3ccc(F)cc3)n2)cc1,-1.201791763305664
C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCCO2)C1,-1.713600754737854
O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccn2)CC1,-1.1068201065063477
O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1598913669586182
Cc1ccc(C(=O)NC[C@H]2CCc3nc(C)sc3C2)cc1,-0.78688645362854
C[C@@H]1CCCC[NH+]1CCCC(=O)NCc1ccc(I)cc1,-1.3691341876983643
CCn1c(C)nnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.7250999212265015
Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cn1,-1.318366527557373
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Br,-1.107549786567688
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617204070091248
O=C(Nc1ccc(Cl)cc1Br)c1ccc(N2CCOCC2)cc1,-0.875720739364624
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.217210054397583
Cc1ccccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1,-1.0365288257598877
Cc1cc(C[NH+]2CCO[C@@H](C(C)C)C2)nn1-c1ccccc1,-1.1789778470993042
Cc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.15479576587677
C[C@H]1CN(C(=O)c2ccccc2)CCC[NH+]1Cc1ccccc1,-1.357834815979004
Cc1ccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)cc1,-1.2722582817077637
O=C(N[C@H]1CCCC[C@H]1F)c1ccc(-c2ccc(F)cc2)nc1,-0.8651050329208374
Oc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1F,-1.2146517038345337
C[C@@H]1COC12CCN(C(=O)c1cc(-c3ccc(F)cc3)on1)CC2,-0.9747684597969055
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.038935899734497
CC1CCN(C(=O)CNC(=O)c2ccc(I)cc2)CC1,-1.0842764377593994
COC(=O)c1ccccc1,-1.9779102802276611
c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.2664287090301514
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.038938283920288
O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8535370230674744
O=C(C1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2441023588180542
Fc1ccc(-c2nc(COc3cc(Cl)ccc3Cl)no2)cc1,-0.7502819299697876
C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9809508919715881
Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.3358012437820435
O=C(c1cc(O)nc2ccccc12)N1CCC(c2ccc(F)cc2)CC1,-0.5330700874328613
Fc1ccc(C[NH+]2CCC[C@@H](Cc3ccccc3)C2)cc1F,-1.2372931241989136
C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2544136047363281
O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0313279628753662
Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1097724437713623
Cc1ccccc1N1CCC(NC(=O)c2ccc([NH3+])cc2)CC1,-1.0817081928253174
Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1390435695648193
CC1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2808823585510254
O=C(N[C@H]1CCn2ncnc2C1)c1ccn(-c2ccccc2)n1,-0.8849905133247375
Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(-c2ccc(F)cc2)n1,-0.6781501173973083
C[NH+]1CCN(c2ccc(CNc3ccc(I)cc3)cc2)CC1,-1.2620927095413208
O=C([C@H]1CCCCN1C(=O)c1ccc(O)cc1)N1CCCC1,-1.183849811553955
Cc1ccc(CC2CCN(C(=O)c3ncccc3N)CC2)cc1,-0.9929349422454834
CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502858638763428
CN1CCC(CSc2noc(-c3ccccc3)n2)CC1=O,-1.1634328365325928
Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898455739021301
CC(=O)Nc1ccc(Cl)cc1,-1.8649561405181885
Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1199071407318115
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2118765115737915
COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.5788947343826294
C[C@@H]1CCn2nc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2C1,-0.5085006356239319
Clc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1164299249649048
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCC(C)CC3)C2)no1,-1.1576647758483887
O=C(Nc1ccccn1)[C@H]1CCCN(c2ccc(F)cc2F)C1,-0.8689419627189636
Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0775837898254395
O=C(Nc1ccc(O)cc1F)[C@H]1CCCN(c2ccccc2)C1,-1.1933306455612183
Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0416395664215088
C[NH+]1CC[C@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5956109762191772
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1017439365386963
COc1cccc(NC(=O)CCC(=O)N2CCC[C@H](O)C2)c1,-1.510339379310608
O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2039169073104858
CC[NH+]1CCC[C@@H](CNC(=O)c2cc(C)on2)C1,-1.5951330661773682
CC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1,-1.2339942455291748
Cc1ccc(C2CCN(C(=O)NC3CCCOCC3)CC2)cc1,-1.3388315439224243
C[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]2CCC(F)(F)F)C1,-0.9992995262145996
CC(C)c1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,-0.8440684676170349
Cn1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1,-1.114886999130249
CC1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3786695003509521
Cc1ccc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.181571125984192
Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9176154136657715
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852489709854126
Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1,-0.7140953540802002
O=C(NCCc1ccc2c(c1)CCC2)c1ccc(Cl)cn1,-1.0256199836730957
Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.2978966236114502
COc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)C[NH2+]C2,-1.0367802381515503
Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(O)c1,-1.18308687210083
OCCC[NH+]1CCCCC1,-1.9977829456329346
O=C(C[NH+]1CCC[C@H]1c1ccc(F)cc1)NC1CCCC1,-1.2874315977096558
C[C@@H]1CCCN(C(=O)Nc2cccc(N3CCOCC3)c2)[C@@H]1C,-1.1957999467849731
O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750099420547485
Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.251862645149231
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.001772165298462
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9673134088516235
O=C(Nc1ccc(F)cn1)c1ccc(-c2ccccc2F)cc1,-0.9398794770240784
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0778868198394775
CC(C)(C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2Cl)CC1,-0.6434804201126099
O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC(F)(F)C1,-0.899581789970398
Cc1cc(CC(=O)Nc2nc(-c3ccccc3)cs2)no1,-1.2588163614273071
O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.29756760597229
CCN1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1,-1.342789649963379
Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1,-1.5551342964172363
Cn1cc(NC(=O)c2ccsc2-c2cccc(Cl)c2)cn1,-0.9411963224411011
Cn1cc(NC(=O)N2CC[C@H](c3ccc(O)cc3)C2)cn1,-1.2517558336257935
Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-0.9800204038619995
Cc1ccc(N2CCN(C(=O)COC(C)(C)C)CC2)cc1,-1.5184619426727295
O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.5223579406738281
Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.348721981048584
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.209238886833191
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6629599332809448
C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1546604633331299
O=C(CC[NH+]1CCOCC1)N1CCN(Cc2ccccc2)CC1,-1.5794683694839478
Cc1ccc(OCc2nc(-c3ccc(F)cc3)no2)c(C)c1,-1.0372328758239746
Cc1cccc(CC2CCCN(Cc3ccc(F)cc3)C2)c1,-1.3292616605758667
Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1,-1.0285604000091553
O=C(C[NH+]1CCC[C@H](c2ccccc2O)C1)Nc1ccccc1,-1.444348692893982
CC(C)(C)CC(=O)NCc1cccc(N2CCNCC2)c1,-1.5208967924118042
CC(C)(O)CC(=O)Nc1cccc(OC(C)(C)C)c1,-1.667216420173645
O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7633155584335327
O=C(Nc1ccc(Cl)cc1)[C@H]1C[NH2+]CCN1c1ccccc1F,-0.8692115545272827
O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2ccccc12,-1.055922031402588
CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.582639217376709
O=C(Nc1ccc(F)cc1)N1CCN(c2ncccc2Br)CC1,-0.7979859113693237
COc1ccccc1C(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.9516960382461548
O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8294119834899902
O=C(NC1CCCC1)c1cc2ccccc2n1-c1ccccc1,-1.2384172677993774
[NH3+]C1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.2160347700119019
C[C@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.1564706563949585
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0429761409759521
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc2ncsc2c1,-0.8219636678695679
CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccccc2)C1,-1.4325405359268188
O=C1NC[C@H]2CCCCN12,-1.900254487991333
Fc1cc(CN2CC[NH+](CC3CCCCC3)CC2)ccc1Cl,-1.0380306243896484
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012687683105469
Cc1cc(C(=O)NCc2cc3ccccc3o2)ccc1F,-1.13996422290802
O=C(NCC1CCCCC1)c1ccc2ccccc2nc1=O,-1.0351252555847168
Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3445918560028076
Cc1ccc(C2CCN(C(=O)Cc3ccc(O)cc3)CC2)cc1C,-0.9552182555198669
C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.271421194076538
Cc1cccc(NC(=O)c2ccc(Br)cc2)c1,-1.5357592105865479
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F,-0.9733579158782959
CN1CCN(C(=O)c2ccc(OCC(C)(C)C)cc2)CC1,-1.4187443256378174
Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.099866509437561
COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9983249306678772
O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9466269612312317
O=C(Cc1nc2ccc(Br)cc2s1)NCc1ccccc1,-0.988299548625946
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2837392091751099
O=C(CCCC(=O)c1ccccc1)NCc1ccc(Cl)cc1,-1.4925822019577026
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)n1,-1.081102967262268
O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(Cl)c1,-1.002393364906311
O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8627113103866577
Cc1ccc(CNC2CCCN(c3ccc(Cl)cc3)C2)cc1,-1.1241304874420166
O=C(NCc1ccc(Br)cc1)N1CCC2(CCOC2)CC1,-1.454484224319458
c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0475844144821167
Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.160299301147461
COc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.6227288246154785
O=C(NCc1ccc(Cl)cc1F)N1CCC2(CCCC2)C1,-1.0531964302062988
Cc1cc(C(=O)N2CCC[C@@H]2Cc2cccc(Br)c2)no1,-1.0498594045639038
O=C(NCC1CCCCC1)N[C@H]1CCC[C@@H](O)C1,-1.655680537223816
Cc1cc(C(=O)Nc2cnn(-c3ccc(Br)cc3)c2)no1,-1.1731849908828735
O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.3378723859786987
C[C@@H](C(=O)NCc1ccc(O)cc1F)c1ccc(Br)cc1,-0.9415556788444519
CC1(C)CN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.5277878046035767
O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5304229259490967
Cc1cnccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0203711986541748
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0007474422454834
Cc1ccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)cn1,-1.5318807363510132
Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1,-1.0433226823806763
O=C(NCC[NH+]1CCC(C2CCOCC2)CC1)C1CCCCC1,-1.4736981391906738
C[C@H]1CCCC[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)C1,-1.4284987449645996
O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.000315546989441
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9727168083190918
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3945618867874146
Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)nc1,-1.0312914848327637
O=C(C[NH+]1CCc2ccccc2C1)NC(=O)C1CCOCC1,-1.528630018234253
Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.030533790588379
CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.9670519828796387
CN1CCN(c2ccc(C(=O)NC3CCOCC3)cc2)C1=O,-1.2174832820892334
O=C(c1ccsc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.0180608034133911
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4244506359100342
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2345104217529297
Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0173115730285645
C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1,-1.14027738571167
O=C(c1ccncc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8925634622573853
Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795692443847656
COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6145126819610596
NC1CCCN(C(=O)c2ccc(OCC(F)(F)F)cc2)C1,-1.1436042785644531
COCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1,-1.1106445789337158
Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)sc2c1,-1.0128545761108398
O=C(Nc1cc2ccccc2[nH]1)N1CCC(n2cccn2)CC1,-1.078338861465454
Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708569765090942
Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1,-1.144361138343811
OC(COc1ccc(CN2CCOCC2)cc1)=NC1CCCC1,-1.5291630029678345
O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[S+]([O-])CC1,-1.3958759307861328
Cc1ccc(CNc2cc(N3CCCCC3)nc(C)n2)cc1,-0.9824353456497192
CC(C)C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1,-1.1016380786895752
CC(=O)N1CCC(C(=O)Nc2ccc(C)c(O)c2)CC1,-1.202500820159912
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2,-1.0844990015029907
O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9425958395004272
O=C(NCc1ccc(F)c(Cl)c1)c1cc2ccccc2s1,-0.9246327877044678
CC(=O)c1ccc(NC(=O)c2ccc(O)c(C)c2)cc1,-1.2818249464035034
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.1976591348648071
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0615736246109009
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.9633753895759583
Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)sn1,-0.8505361676216125
Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3867785930633545
O=C(c1ccccc1O)N1CCC(Cc2ccc(O)cc2)CC1,-1.205985188484192
O=C(Nc1ccccc1F)N1CCC(c2cccc(F)c2)CC1,-0.9665724635124207
Cc1ccc2sc(C(=O)NCC3CC[NH+](C)CC3)cc2c1,-0.9813245534896851
CC(=O)Oc1ccc(COc2ccccc2)cc1,-1.7082219123840332
O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.080430030822754
O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,-1.265323281288147
Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2946981191635132
CSC1CCCN(C(=O)NCc2ccc(Br)o2)C1,-1.3757704496383667
C[C@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0041143894195557
Cc1ccc(CNc2ccc(-c3ccccc3)c(Br)c2)cc1,-1.165323257446289
Cc1nsc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.6990718245506287
Cc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1,-1.193320870399475
CC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.113830327987671
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9449813365936279
NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccccc2)c1,-1.0980274677276611
C[C@@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.308087706565857
O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750457525253296
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124977111816406
O=C(NC1CCCCC1)C(=O)N1CCC(n2cccn2)CC1,-1.2399775981903076
O=C(NC[C@@H](O)c1ccccc1F)NC1CCCCC1,-1.5428003072738647
O=C(c1ccc(F)cc1F)N1CCN(CC2CCCCC2)CC1,-0.8845190405845642
Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9031047821044922
Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9609531760215759
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885589241981506
CC1(C)CC[C@@H](C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1,-1.3376917839050293
Clc1ccc(OCc2ccccc2)cc1,-1.7830220460891724
C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5595494508743286
O=C(Nc1ccc(Cl)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.0875765085220337
Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1,-1.1708745956420898
Cc1ccc(CNC(=O)c2ccc3oc(C)cc3c2)cc1,-1.2547563314437866
O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.732457160949707
CCC(CC)C(=O)N1CCCCC1,-1.7868143320083618
O=C(Nc1ccc(F)c(-c2ccccc2)c1)c1ccc(F)cc1,-1.0420897006988525
O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2Br)CC1,-1.0333452224731445
O=C(Cc1ccc2c(c1)OCCO2)NCC1CCCOC1,-1.5317524671554565
O=C(NC1CCN(c2ncccc2F)CC1)c1ccc(Cl)cc1,-0.766889750957489
Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.1187770366668701
CCC(N=C(O)CNC(=O)c1ccccc1)c1ccccc1,-1.5098772048950195
Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2025867700576782
O=C(Nc1ncccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.835861325263977
Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9872065186500549
NS(=O)(=O)CCN1CCCCC1,-1.8741759061813354
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.653859257698059
O=C(Nc1ccccc1O)N1CCN(c2cccc(F)c2)CC1,-1.1034328937530518
O=C(CCc1ccccc1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.4977036714553833
c1ccc(C[NH2+]C2CCN(c3cccc4ccccc34)CC2)cc1,-1.1919580698013306
O=C(N[C@@H]1CCOC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.1378388404846191
O=C(NCc1ccc(O)cc1)c1cc2ccc(Br)cc2[nH]1,-1.05913507938385
Nc1c(Cl)cccc1NCc1ccn(-c2ccc(F)cc2)n1,-0.745814859867096
Cc1cccc([C@@H]2C[C@H](NC(=O)c3ccccc3O)CCO2)c1,-1.2405534982681274
Cc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.4958359003067017
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5007485151290894
C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2666449546813965
CC(C)(C)C(=O)N1CCC[C@H](NC(=O)C2CCCC2)C1,-1.2469980716705322
O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)C1CCCCC1,-0.9435178637504578
c1ccc(C[NH+]2CCN(c3cc(-c4cccs4)ncn3)CC2)cc1,-1.0726633071899414
Nc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1,-1.3871451616287231
Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2ccc(C)[nH]2)cc1,-1.1731172800064087
C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(O)c2)C1,-1.4641296863555908
O=C(NCCc1ccc(Cl)cc1)c1cc2c(s1)CCCC2,-0.9116931557655334
C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.559711217880249
CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.440277099609375
O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(O)ccc1F,-1.0542044639587402
O=C(Nc1cc(F)ccc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.881773829460144
Fc1cccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)c1,-1.0499166250228882
O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5404952764511108
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2586194276809692
Fc1ccc(OCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.214419960975647
O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5547349452972412
C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.2255685329437256
CC1(C)CC[C@@H](C(=O)Nc2ccnn2-c2ccccc2)C1,-1.344602346420288
Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1,-0.7901386618614197
C[C@H](O)CNC(=O)C[NH+]1CCCC[C@H]1c1ccc(Cl)cc1,-1.4592158794403076
C[C@H]1C[C@H](NC(=O)c2ccccc2F)CC[C@H]1c1ccccc1,-0.9919279217720032
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.073114037513733
CC1c2ccccc2OC1C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.1998571157455444
Cc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.041031837463379
O=C(Cc1nc2ccccc2s1)NCc1ccc(Cl)cc1,-1.0191339254379272
Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0309938192367554
C[C@H]1CC[NH+](CCNC(=O)c2ccc3c(c2)OCCO3)C1,-1.4034392833709717
Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.8976233005523682
[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8423458337783813
Cc1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.050559401512146
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066728591918945
Fc1cccc(CNc2ccc(Cl)cc2N2CCOCC2)c1,-1.0964055061340332
CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,-1.4276286363601685
Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.219235897064209
Cc1ccc(CC(=O)NC[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1,-1.3706285953521729
Cc1noc(-c2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)n1,-1.2173985242843628
CC1(C)CCC(NC(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.4753687381744385
Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748186469078064
O=C(Nc1ccc(-c2ccccc2)cc1O)c1ccc(Br)cc1,-1.0353423357009888
Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.418947458267212
C[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1,-1.0858484506607056
Clc1ccc([C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)nc3)C2)cc1,-0.986717164516449
Cc1ccc(C(=O)NC2CCN(CC(=N)O)CC2)cc1,-1.5037935972213745
CN1CCN(c2ccc(C[NH2+]C3CCOCC3)cc2)C1=O,-1.4093189239501953
O=C([C@H]1CCC[NH+](C2CC2)C1)N1CCN(c2ccccc2)CC1,-1.0905827283859253
CC1CCCN(C(=O)C(=O)NCc2ccc(N)cc2)C1,-1.3531206846237183
Cc1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2526662349700928
O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1cccc(F)c1,-0.8249511122703552
C[NH+]1CCC(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)CC1,-1.3236807584762573
O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC12CC[NH2+]CC2,-1.3661881685256958
N#CC1CCN(c2ccc(OCCc3ccccc3)cc2)CC1,-1.4760606288909912
O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138298749923706
Nc1ccc(CNC(=O)c2ccc3c(c2)CCC3)c(Cl)c1,-0.8367328643798828
Cc1cc(C(=O)N[C@@H]2CCCN(c3nnc(C)s3)C2)no1,-0.8179059624671936
Cc1ccc(-c2ccc(NCc3ccc(N)cc3)cc2)cc1,-1.3255095481872559
Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.031390905380249
O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641420841217041
O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9590311646461487
Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2s1,-0.8828977942466736
Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1,-0.9525266289710999
Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0777547359466553
Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0640177726745605
O=C1C[C@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CCN1,-1.2056788206100464
O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-1.0531750917434692
Cc1noc([C@@H]2CCC[C@@H]2NC(=O)c2ccc(F)cc2)n1,-0.9701579213142395
CC1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3500401973724365
Cc1ccc(-n2ccc(NC(=O)c3cnn(C)c3)n2)cc1,-1.1445547342300415
CC1CC(NC(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)C1,-1.0518733263015747
O=C1C(Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.4232715368270874
O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6252048015594482
CC(C)C[NH+]1CCC(NC(=O)c2ccc(O)c(F)c2)CC1,-1.0604455471038818
O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9575448036193848
CC(C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O,-1.5874377489089966
O=C(Nc1ccn(-c2ccccc2)n1)[C@@H]1CCc2[nH]ncc2C1,-0.9529477953910828
CC(C)(C)C(=O)Nc1ccc(OCC(N)=O)cc1,-1.6180742979049683
CC(C)CCNC(=O)[C@@H](C)OCc1ccccc1,-1.6919660568237305
c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,-1.642830491065979
O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.8401958346366882
CO[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1,-1.3637193441390991
Cc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1,-0.9657717347145081
O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9735706448554993
O=C(NCc1ccccn1)N[C@H]1CCC[C@@H](O)C1,-1.642972469329834
O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6878330707550049
Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0878568887710571
O=C(NCCc1ccccc1)N[C@H]1CC[C@@H](F)C1,-1.6944859027862549
O=C(NC1CC[NH+](CCCCC(F)(F)F)CC1)c1ccccc1,-1.352500557899475
CCS[C@@H]1CCCN1C(=O)Nc1ccc(Cl)nc1,-1.1654624938964844
COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.425652027130127
Cc1nc(NC(=O)C[C@@H]2CCCO2)n(-c2ccccc2)n1,-1.281997561454773
C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6741973161697388
Clc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.2447954416275024
O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9024754762649536
O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.467761754989624
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.1574703454971313
C[C@H]1CN(C(=O)c2ccccc2)CC[NH+]1Cc1ccccc1F,-1.0710967779159546
Fc1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1,-1.2799938917160034
Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0751694440841675
Cc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1,-1.5419620275497437
Fc1cccc(Cc2nc(Cc3ccc(Br)cc3F)no2)c1,-0.7427129149436951
Cc1ccc(N)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.0585519075393677
Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2011274099349976
Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)cnc34)CC2)cc1,-0.5885380506515503
Cc1nocc1C(=O)N1CC[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1,-0.8610818982124329
Cc1ccc(CNC(=O)CCCCc2ccc(Cl)cc2)o1,-1.52080237865448
Clc1cccc(CNc2ccc(Cl)cc2-c2ccccc2)c1,-1.034763216972351
CC(C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1,-1.4249227046966553
Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc1C,-0.7178526520729065
C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.0740119218826294
Cc1cc(C)c(OCc2noc(-c3ccccc3)n2)cc1C,-1.0511256456375122
C[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCO2,-1.4429923295974731
CC1(C)CN(C(=O)NC[C@@H]2CC2C2CCOCC2)CCO1,-1.530190110206604
O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2o1,-1.1073626279830933
Cn1nccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-1.0531522035598755
Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016424894332886
OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Br)cc2)CC1,-1.5108000040054321
O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0874594449996948
O=C(Cc1ccccc1)N1CCN(CCc2ccccc2)CC1,-1.5301834344863892
Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4726240634918213
O=C(Nc1ccc2ccsc2c1)N1CC[NH+](C2CCCC2)CC1,-1.0000293254852295
O=CNc1nnc(-c2ccccc2)s1,-1.6895009279251099
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(O)c1,-1.0927648544311523
Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.103239893913269
Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3431142568588257
Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1429113149642944
O=C(Nc1ccccc1I)C1CCN(c2ccc(F)cc2)CC1,-0.8245372176170349
Cc1ccc(NC(=O)c2ccccc2O)c(-c2ccccc2)c1,-1.141577124595642
Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1504359245300293
CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.07613205909729
Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2023929357528687
O=C(Nc1cccc2[nH]cnc12)[C@@H]1CC[NH+](C2CCCCC2)C1,-0.9818032383918762
O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.0643410682678223