diff --git "a/ddpp_cvar_batch/collected_molecules.csv" "b/ddpp_cvar_batch/collected_molecules.csv"
new file mode 100644--- /dev/null
+++ "b/ddpp_cvar_batch/collected_molecules.csv"
@@ -0,0 +1,34780 @@
+smiles,fa_score
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.060522437095642
+O=C([C@@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.114441990852356
+Nc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.056165099143982
+COc1ccc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.3978813886642456
+Cc1ncccc1NC(=O)N1CCC[C@H](c2ccc(O)cc2)C1,-1.017616868019104
+COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Cl,-1.0892107486724854
+Cc1ccc(C[NH2+]C2CCN(c3ccc(I)cc3)CC2)cc1,-1.0815441608428955
+Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0661067962646484
+C[NH+]1CC[C@@H](NC(=O)c2cc(F)ccc2-c2nn[n-]n2)C1,-0.9068518280982971
+Clc1ccccc1N=NNc1ccccc1CNCC1CCCCC1,-1.082607626914978
+O=C(NCc1cccc(F)c1)c1cc2ccc(F)cc2[nH]1,-1.0336209535598755
+O=C(NC1CCN(c2ccccc2)CC1)C1CC(F)(F)C1,-1.1559666395187378
+Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)no1,-1.1325099468231201
+N=c1nc(-c2ccccc2)cc(OC(=O)c2ccccc2)[nH]1,-1.2978774309158325
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9350792169570923
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1,-0.9737617373466492
+Cc1cccc(C2CCN(C(=O)[C@@H]3CCC[C@H](C[NH3+])C3)CC2)c1,-1.0180847644805908
+O=C(NCCc1ccccc1)c1ccc(Br)cc1,-1.5552654266357422
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1440876722335815
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885489106178284
+Cc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccccc2S)cc1,-0.9971610307693481
+Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1285487413406372
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8316743969917297
+O=C(c1ccc(Cl)nc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.779697597026825
+O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[C@H]2CCCC[C@@H]2O1,-1.325422763824463
+C[C@H](Cc1ccccc1)Nc1nnc(-c2ccc(N)cc2)s1,-1.0274126529693604
+Clc1ccc(C[NH+]2CCN(C[C@H]3CCCCO3)CC2)cc1Cl,-1.078923225402832
+O=C(N[C@H]1CC12CCC2)c1ccn(-c2ccc(Cl)cc2)n1,-1.0204073190689087
+Clc1ccc(OC2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.1469227075576782
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1657707691192627
+Cc1cc(N)ccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1c1ccccc1,-0.9804415106773376
+Cc1ccc(CNC(=O)c2cnc3[nH]ccc3c2)cc1Cl,-0.8609218597412109
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9644910097122192
+COc1ncsc1C(=O)NCC1CC[NH+](C)CC1,-1.438888669013977
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.0819849967956543
+CCOc1ccccc1NC(=O)C[NH+]1CCN(C)CC1,-1.571134328842163
+Cc1nc(CNC2CCCCC2)cc(-c2cccc(F)c2)n1,-0.9153711199760437
+CCN1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0345473289489746
+Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1,-1.1546857357025146
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-0.9954421520233154
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5003920793533325
+C[NH+]1CCCN(c2cccc(NC(=O)c3ccccn3)c2)CC1,-1.2933580875396729
+Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.9715974926948547
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC(=O)C2)cc1,-1.2768853902816772
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC[NH+]2CCC[C@@H]2C1,-1.052501916885376
+CCC(C)(C)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.535173773765564
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0075691938400269
+O=C([C@H]1CCc2ccc(F)cc2C1)N1CCC(c2ccc(F)cc2)CC1,-0.4687209129333496
+Oc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.3719031810760498
+O=C(Cc1cccs1)Nc1nnc(-c2ccc(F)cc2)s1,-0.9876009225845337
+Cc1csc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1,-0.9677659869194031
+C[C@@H]1CN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1,-1.4814633131027222
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1O,-1.0207431316375732
+Cc1ccc(NC(=O)c2ccccc2)cc1,-1.7249665260314941
+C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC[C@H](c2ccccc2)C1,-1.451884388923645
+CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(F)cc2O)CC1,-0.9540522694587708
+Cc1cc(C)c(NC(=O)N2CCC(c3ccccc3)CC2)cn1,-0.9913724064826965
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.4968070089817047
+O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(Br)cc1,-0.9693218469619751
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1,-1.0402666330337524
+Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.045557975769043
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2047150135040283
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.4441364109516144
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2437310218811035
+c1ccc(CNc2cc(-c3ccccc3)nc3ccccc23)cc1,-1.049010157585144
+CC1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4545327425003052
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0057423114776611
+O=C(Nc1ccc(O)cc1F)[C@@H]1CCCC[C@@H]1c1ccccc1,-1.0006840229034424
+COc1ccc(CNC(=O)c2cc(Cl)ns2)cc1,-1.2652899026870728
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238703727722168
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5945947170257568
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3145291805267334
+Oc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.4298076629638672
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2cccs2)cc1,-1.1455127000808716
+CC(C)Cc1ccc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1,-1.3625696897506714
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1035735607147217
+Cc1cccnc1C(=O)N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0715643167495728
+O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.904822051525116
+Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cn2n1,-1.0313804149627686
+Cc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)c(Cl)c1,-0.7628393173217773
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307271480560303
+O=C(N[C@@H]1CC[NH+](C2CCOCC2)C1)c1cc2ccccc2[nH]1,-1.1980217695236206
+C[NH+]1CCC2(CC[C@H](CNC(=O)[C@@H]3CCCOC3)O2)CC1,-1.586685061454773
+Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3416721820831299
+Cc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.1715103387832642
+Nc1ccc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1F,-0.7876643538475037
+O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2o1,-1.0417730808258057
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.3954885005950928
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0419533252716064
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6249345541000366
+O=C(NCc1ccc(Cl)cc1)c1c[nH]c2cc(F)ccc12,-0.933073878288269
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1565353870391846
+CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1,-1.2717596292495728
+O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2[nH]cnc2c1,-1.0381319522857666
+O=C(Nc1ccc(F)cc1Cl)c1ccc(C2CCOCC2)cc1,-0.9501160383224487
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.017555594444275
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0756373405456543
+Cc1ccc(C(=O)NCc2ccc3c(c2)CCCC3)cc1,-1.2459540367126465
+Nc1ccccc1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-1.0803275108337402
+Cc1nn(C)c2cc(C(=O)NCC3CCCCC3)ccc12,-0.8642644286155701
+CCc1ccc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)cc1,-1.0889745950698853
+Cc1nc2ccc(C(=O)NCC(=O)c3ccccc3)cc2[nH]1,-1.0397355556488037
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)Cc2cccs2)cc1,-1.3341314792633057
+Fc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.1568570137023926
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)cn1,-1.0288302898406982
+O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccccc2)CC1,-0.8775926232337952
+Cn1nc2c(n1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-0.7778186202049255
+Cc1ccc(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)o1,-1.2560299634933472
+C[C@@H]1CSCCN1C(=O)[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-0.9140114188194275
+C[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.0511664152145386
+O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.030809760093689
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2596197128295898
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.132778525352478
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc([O-])cc2)CC1,-1.116295337677002
+O=C(Cc1ccc(CN2CCOCC2)cc1)NCCBr,-1.5314743518829346
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5287812948226929
+CCCCc1cccc(C(=O)NCC2CCCCC2)c1,-1.5931199789047241
+Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1,-1.1618601083755493
+C[C@H]1CCCC[NH+]1[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1,-1.0070581436157227
+COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2,-1.2118335962295532
+O=C(Cc1nc2ccccc2s1)NCc1ccc(I)cc1,-0.9535471200942993
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.1374824047088623
+CC(C)(C)NC(=O)N1CCN(c2ccc(F)cc2F)CC1,-0.9275035262107849
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0343773365020752
+c1ncn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1,-1.2406070232391357
+CCC[C@H](C)C(=O)NCC1CCN(C(=O)C(C)C)CC1,-1.2433631420135498
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9582989811897278
+C[C@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6933891773223877
+Cc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3542972803115845
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0397433042526245
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2356070280075073
+O=C(CN1CCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2643579244613647
+O=C(CCc1ccc(F)cc1)NCc1ccc(F)cc1F,-1.1161270141601562
+O=C(OCc1ccc(Cl)cc1)c1ccc2nc(O)sc2c1,-0.975014865398407
+Cc1ccc(-c2ccc(CC(=O)N3CC(C)OC(C)C3)cc2)cc1,-1.1304969787597656
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907576322555542
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2196341753005981
+CC1C[C@@H]2CN(C(=O)NCc3ccc(N)cc3)CC[NH+]2C1,-1.2333295345306396
+CC(C)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nn1C,-0.7486376166343689
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9507587552070618
+O=C(Nc1ccc(O)cc1Cl)N1CCC(c2ccccc2)CC1,-1.003135085105896
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848119020462036
+c1ccc(C[NH+]2CC[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1,-1.372650146484375
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2171142101287842
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.1762545108795166
+Fc1cccc(NCc2ccc(F)cc2N2CCOCC2)c1,-1.1709712743759155
+O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-n2cccn2)cc1,-1.0545555353164673
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(Br)cc1O,-0.9383537769317627
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.010289192199707
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1,-1.1899605989456177
+O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.2394306659698486
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.382071852684021
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)no1,-1.2140843868255615
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0716696977615356
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.178259015083313
+O=C(Cc1cccc(I)c1)NC[C@H]1C[C@H]1C1CCOCC1,-1.2906739711761475
+Cc1cc(I)cc(NC(=O)c2ccc(C(=O)[O-])cc2)c1,-1.0851447582244873
+Cn1cc(-c2c(C(=O)NC3CCCCC3)cnn2C)cn1,-0.9096361398696899
+O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-1.0717217922210693
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070002555847168
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9292231798171997
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.9126388430595398
+O=C(NCCOc1ccccc1)c1ccc(Br)o1,-1.5960255861282349
+O=C1CCCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0713939666748047
+Cc1noc(C)c1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9400774836540222
+O=C(Nc1ccc(F)cc1O)N1CCC[C@@H](c2ccccc2)C1,-1.0552922487258911
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.3583189249038696
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)no1,-1.1218181848526
+CC(C)C(N)C(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5127702951431274
+Cn1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)n1,-1.071049690246582
+CN1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.264823079109192
+O=C(CCC(=O)c1ccc(Cl)cc1)NCCc1ccccc1,-1.4883015155792236
+CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-],-1.6263777017593384
+O=C(Nc1ccc(F)cc1)N1CCO[C@@H](c2ccccc2Cl)C1,-1.1517283916473389
+O=C(NCc1cccc(Cl)c1)c1cc2ccc(Br)cc2[nH]1,-0.8735834360122681
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cn1,-1.1078904867172241
+O=C(c1ccccc1Br)N1CCCC(Oc2ccc(Cl)cc2)C1,-0.9270393252372742
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731219053268433
+CC1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1,-1.1352096796035767
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1790956258773804
+O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8964049816131592
+C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9165557622909546
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917163074016571
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8133669495582581
+Cc1ccc(NC(=O)C(=O)Nc2ccc(O)cc2)cc1,-1.5599285364151
+c1ccc(CSc2nc3ccccc3nc2-c2ccccc2)cc1,-0.9095115661621094
+O=C(N1CCCCCC1)N1CCC(Cc2ccc(O)cc2)CC1,-1.3944261074066162
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0753133296966553
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160650372505188
+[NH3+]c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1F,-1.0485762357711792
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8823936581611633
+C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1,-1.019233226776123
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1903139352798462
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3023226261138916
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2sccc2C1,-0.7489078640937805
+O=C(NC[C@@H](O)C1CCCCC1)N[C@H]1CCCC[C@H]1O,-1.5640798807144165
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2800931930541992
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0829730033874512
+Cc1ccc(NC(=O)C(C)C(O)=NCc2ccc(Cl)cc2)cc1,-1.2234747409820557
+COc1cccc(C(=O)NCc2ccc(Br)s2)c1,-1.3679730892181396
+C[C@@H]1CCCCN1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1,-1.1963257789611816
+NS(=O)(=O)c1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1,-0.8913435339927673
+CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1,-1.1390082836151123
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3624398708343506
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1842772960662842
+Cc1csc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c1,-1.064808964729309
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0786917209625244
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9540690779685974
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1606796979904175
+C[C@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.8941965699195862
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)nc1,-0.9821937680244446
+C[C@H]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(Br)cc3)C2)C1,-1.012186050415039
+O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8627224564552307
+CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(F)(F)F,-1.2495393753051758
+C[NH+]1CCN(c2ccc(NCc3cccc(F)c3)cc2)CC1,-1.394112467765808
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2n[nH]nc2c1,-0.8571827411651611
+O=C(Nc1ncccc1O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9409712553024292
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1419163942337036
+Fc1ccc(F)c(OCc2nc(-c3ccc(Br)cc3)no2)c1,-0.8197147250175476
+CCCc1ccc(C(=O)N[C@@H]2CCCC3(CCOCC3)C2)cc1,-1.495750904083252
+O=C(Cc1ccc2ncsc2c1)NCc1ccc(Cl)cc1,-1.0705387592315674
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0485707521438599
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9279710650444031
+Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1F,-1.0499241352081299
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.252456784248352
+CC1CCN(C(=O)C(=O)NCc2ccc(O)cc2)CC1,-1.5008537769317627
+Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.3048490285873413
+CC(c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1,-0.9872577786445618
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.1802024841308594
+C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CCO1,-1.425818681716919
+Cc1ccc(NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1F,-1.1320676803588867
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4761922359466553
+Nc1ccc(C[NH+]2CCN(C(=O)c3ncccc3F)CC2)cc1,-1.0485074520111084
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8216361999511719
+CCOc1ccc(C[NH+]2CCN(C(C)C)CC2)cc1,-1.5820624828338623
+Cc1cnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1,-1.0275070667266846
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8957502245903015
+O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC12CCC2,-1.3239026069641113
+CCOc1ccc(CC2CC2c2ccccc2)cc1,-1.6035667657852173
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536068677902222
+O=C(N[C@H]1CCO[C@H]([C@@H]2CCCCO2)C1)c1ccc(F)cc1F,-1.0901515483856201
+O=C(c1ccc(F)cc1F)N1CCC[C@H](Cc2ccccc2)C1,-0.998228132724762
+O=C(CC1CCCCC1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4045789241790771
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0227265357971191
+CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1,-1.2685922384262085
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.9052340984344482
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1513298749923706
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2265206575393677
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3849384784698486
+Fc1ccc(N2CCCC(NCc3ccc(Br)cc3)C2)cc1,-1.1381102800369263
+CCC(=O)N1CCOC[C@@H]1Cc1ccc(C(F)(F)F)cc1,-1.209816813468933
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0230093002319336
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8986750245094299
+CCN1CCN(C(=O)c2cccc(N3CCC(O)CC3)c2)CC1,-1.1202280521392822
+CCC(CC)C(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1,-1.1715749502182007
+COCc1ccccc1C(=O)N1CCC2(CCC(N)C2)C1,-1.3426069021224976
+O=C(CNc1ccccc1)OCc1ccccc1,-1.748700499534607
+O=C(NC[C@@H]1CC12CCC2)N1CCOC2(CCOCC2)C1,-1.5799891948699951
+CC(C)C(=O)Nc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1,-1.4063372611999512
+CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4512358903884888
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9626695513725281
+Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1,-0.9906714558601379
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1,-1.0096074342727661
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0082042217254639
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)n1,-0.7014034986495972
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1,-1.0710763931274414
+CCc1cccc(CNC(=O)c2ccc(Br)o2)c1,-1.5110032558441162
+Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.0629380941390991
+COc1ccc(CNC(=O)c2cnc(O)s2)cc1,-1.5660213232040405
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.3280442953109741
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0273953676223755
+O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccc(F)cc1,-1.4629117250442505
+O=C(OCC(F)(F)F)[C@H]1CCCN(c2ccc(Cl)cn2)C1,-0.9153253436088562
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9776411652565002
+Cc1nc2c(s1)C[C@@H](CNC(=O)c1ccc(I)cc1)CC2,-0.6924147009849548
+Cc1nc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cs1,-1.1490693092346191
+C[C@@](O)(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1,-1.1769232749938965
+O=C(Nc1ccc(Cl)nc1)c1cccc(N2CCCC2=O)c1,-0.9800940155982971
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(O)c1,-1.0867594480514526
+COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCCN(C)C3)CC2)cc1,-1.1415338516235352
+O=C(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCCCO3)CC1,-0.8291125297546387
+Cc1ncccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9021196961402893
+CC(Cl)COc1ccc(COc2ccccc2)cc1,-1.6176440715789795
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.984788179397583
+COc1ccc(CCC(=O)Nc2ccc(F)c(C)c2)cc1,-1.3804503679275513
+O=C(Cc1ccccc1)Nc1ccccc1N1CCNC1=O,-1.528873085975647
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.314529299736023
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706555843353271
+Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(F)c1,-0.7213205099105835
+Cc1cccc([C@H]2CCCN2C(=O)Nc2nonc2C)c1,-1.0285183191299438
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1523346900939941
+Cc1cc(O)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-1.259202480316162
+C[C@@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(F)cc1,-1.4352526664733887
+O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1517173051834106
+Nc1ccc2nc(CC(=O)NCc3ccccc3)[nH]c2c1,-1.231311321258545
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.1961723566055298
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0771054029464722
+Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1,-1.1789886951446533
+OC(COCc1ccccc1)=Nc1ccnn1-c1ccccc1,-1.5020781755447388
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124942541122437
+C[C@@H]1C[NH2+]CCN1C(=O)CNc1cccc(C(C)(C)C)c1,-1.3039124011993408
+O=C(C1CCN(c2ccc(Cl)cc2)CC1)N1CCc2cc(F)ccc2C1,-0.4111691415309906
+CCCOc1ccc(C(=O)Nc2ccccc2F)cc1,-1.5688725709915161
+C[NH+]1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2)C1,-1.0569862127304077
+C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1N1CC[NH+](C)CC1,-1.0153218507766724
+CC(C)C(C(=O)O)c1cccc(OCc2ccccc2)c1,-1.5234880447387695
+Cc1cc(Br)cnc1Nc1ccc(C(=O)N2CCCCC2)cc1,-0.9007850885391235
+O=C(NCC1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1,-1.2020787000656128
+[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9426490068435669
+CC(C)CNC(=O)N1CCC([NH+]2C[C@@H](C)O[C@@H](C)C2)CC1,-1.2332733869552612
+CC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1,-1.098054051399231
+Nc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8989191055297852
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0567339658737183
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-1.02558171749115
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2152591943740845
+CC(Cl)c1ccc(NCCOc2ccccc2)cc1,-1.5856949090957642
+O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1,-1.223044753074646
+Fc1cc(NCc2ccc(-c3ccccc3)nc2)ccc1Cl,-1.0255076885223389
+Nc1ccc(OCc2ccc(N3CCCCC3)cc2)cc1Cl,-1.1274281740188599
+C[C@@H]1C[NH+](Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5402570962905884
+O=C(NC[C@@H]1CCC[C@@H](O)C1)Nc1ccccc1,-1.6816617250442505
+Cc1c(Br)cccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.8701838254928589
+CC1(O)CCN(C(=O)NC[C@H](O)CC2CCCCC2)CC1,-1.5736401081085205
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1873596906661987
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5280832052230835
+O=C(Nc1ccc(F)cc1Cl)[C@H]1CCC[C@@H](c2ccccc2)C1,-0.8495043516159058
+C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CCN1c1ccccc1,-0.9784742593765259
+N#C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1,-0.6416410207748413
+CC(C)C(O)=NCCCNCc1ccc(N2CCOCC2)cc1,-1.5369153022766113
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9000320434570312
+Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1417731046676636
+O=C(Nc1ccc(O)cc1)C1CCN(c2ncccc2Br)CC1,-0.8902716636657715
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166024208068848
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0673258304595947
+Cn1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.0924760103225708
+Cc1ccc(N2CCN(C(=O)c3ccc(N)c(F)c3)CC2)cc1C,-0.5699632167816162
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238700151443481
+C[NH+]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.3172322511672974
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.286354660987854
+Fc1ccc(CNc2ccc(-c3ccccc3)c(F)c2)cc1,-1.1841399669647217
+C[NH+]1CCC(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.2945324182510376
+Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccc(Br)cc1)C2,-1.0988925695419312
+Cc1cc(C(=O)NCC2CCOCC2)c2nc(C)[nH]c2n1,-0.8306477665901184
+C[C@@H]1CCN(C(=O)Nc2ccc(N3CCC[C@@H]3C)cc2)C1,-1.1940675973892212
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.143190860748291
+C[C@@H]1C[NH+](Cc2cccc(Br)c2)CCN1Cc1ccccc1,-1.2651406526565552
+O=C(N[C@H]1CCCC[C@@H]1F)c1ccc(-c2cccc(F)c2)nc1,-0.8595128059387207
+CC(C)(C)[C@H](O)CNC(=O)c1ccn(-c2ccccc2)n1,-1.370663046836853
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2040460109710693
+O=C(NCC1CCOCC1)Nc1ccc(Br)cn1,-1.5301454067230225
+Nc1ccc(N)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0626575946807861
+C[NH+]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.2301228046417236
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3800066709518433
+C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1,-1.068518877029419
+Cn1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1,-0.8867469429969788
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1C,-1.4162399768829346
+Cc1ccc(C(=O)NC[C@@H](O)CN2CC[NH+](C)CC2)cc1,-1.529316782951355
+Cc1nc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)no1,-1.165724277496338
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.8884733319282532
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0417743921279907
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.2439152002334595
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1203089952468872
+CC1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.216042399406433
+Cc1cnc(NCc2cccc(Br)c2)c(-c2ccccc2)n1,-0.8889868855476379
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8912885189056396
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9339112043380737
+Cc1ccc(CNc2ccc(Cl)cc2-c2ccccc2)cc1,-1.289764404296875
+O=C(CNCc1ccc(Br)cc1)N1CCS(=O)(=O)C1,-1.53656005859375
+O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C1CCOCC1,-1.4734996557235718
+CC(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.0350804328918457
+Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2)c1C,-0.7103646993637085
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2254537343978882
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.9769517779350281
+Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccccc1,-1.049303650856018
+Cc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2)cc1Cl,-1.127090334892273
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5317506790161133
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382851600646973
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1906569004058838
+C[C@@H]1Cc2cc(CNC(=O)N3CCCCCC3)ccc2O1,-1.411023736000061
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1041654348373413
+Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)no1,-1.0676953792572021
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6737172603607178
+COc1ccc(NC(=O)CCOc2ccccc2)cc1,-1.6413090229034424
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.1725469827651978
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5174336433410645
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012637615203857
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.971610963344574
+CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5265438556671143
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[C@@H](F)C1,-1.0454636812210083
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9279720187187195
+N#Cc1ccccc1CN1CCN(Cc2ccc(F)cc2)CC1,-1.191823959350586
+O=C(O)CCCC(=O)c1ccc(OCc2ccccc2)cc1,-1.571282148361206
+Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.0141123533248901
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9675793051719666
+c1ccc(CN2CCC(Nc3ccc4ccccc4n3)CC2)cc1,-1.150910496711731
+O=C(c1ccc(Nc2nc3ccccc3[nH]2)cc1)N1CCCC1,-0.9981625080108643
+O=C(COC1CCCCC1)NCc1ccccc1,-1.7335054874420166
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cn1,-1.3776967525482178
+O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccccc1,-1.3289579153060913
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2348203659057617
+O=C(NCc1ccccc1)N1CCc2cc(Br)ccc2C1,-1.13817298412323
+c1ccc(Cc2cc(C3CCN(c4ccccc4)CC3)no2)cc1,-1.3097903728485107
+Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0048574209213257
+O=C([O-])c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1,-1.0103908777236938
+O=C(Cc1ccc2nc(O)ccc2c1)N1CCN(c2ccccc2)CC1,-0.8468791842460632
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3423848152160645
+CCc1cc(C(=O)NCc2ccc(Cl)cc2)no1,-1.50015127658844
+O=C(Cc1ccccc1Br)N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1,-1.0867509841918945
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9320688247680664
+Fc1ccc(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.18132746219635
+CCCc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cc1,-1.3874131441116333
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1622002124786377
+C[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1,-1.0831935405731201
+N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1,-1.2281322479248047
+c1cc(N2CCCCC2)ccc1Cn1nnnc1C1CCOCC1,-1.031234860420227
+CC(N=C(O)CN1CCN(c2ccc(F)cc2)CC1)c1ccc(I)cc1,-0.6811249852180481
+CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.9944598078727722
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.1653136014938354
+O=C(NCc1cn[nH]c1)[C@@H]1C[C@H]1c1ccccc1,-1.6081851720809937
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.0152695178985596
+O=C(Nc1ccc(C2CCOCC2)cc1)C1CC(F)(F)C1,-1.2840815782546997
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cn3)CC2)cc1,-0.9037935137748718
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.250408411026001
+Cn1ncc2c1CN(C(=O)NCc1ccc(O)cc1)CC2,-1.0302780866622925
+O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Br)cc1,-1.126218557357788
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.1277536153793335
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(O)cc1F,-1.0279264450073242
+Cc1ccc(NC(=O)N2CC([NH+]3CCC(C)CC3)C2)cc1,-1.2316728830337524
+C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4486494064331055
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0379620790481567
+O=C(CCF)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1,-1.3400685787200928
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1615890264511108
+Cc1noc(N2CCCCC[C@@H](NC(=O)c3ccccc3)C2)n1,-1.2154687643051147
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845802068710327
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997095346450806
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4658108949661255
+CN1CC[NH+](CCNC(=O)CCc2ccc(Br)cc2)CC1,-1.4851934909820557
+Cc1ccc(C(=O)NC[C@H]2C[C@@H]2C2CCOCC2)cc1Br,-0.952337384223938
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9675352573394775
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0681266784667969
+CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1,-1.256238341331482
+CC(C)[C@H](O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5090044736862183
+Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.0141130685806274
+O=C(c1cc(F)c(O)c(Cl)c1)N1CCC(c2cccc(F)c2)CC1,-0.37349072098731995
+CC1(C)CC[NH+](CCNC(=O)c2ccc3[nH]ncc3c2)C1,-1.1925216913223267
+O=C(c1cc2ccccc2[nH]1)N1CC[C@H](CC2CCCCC2)C1,-1.1391489505767822
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9036208987236023
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3993021249771118
+Cc1ccc(CN2CCN(Cc3cccc(O)c3)CC2)cc1,-1.4998383522033691
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.680316686630249
+CC1(C)CN(C(=O)Nc2ccc(C(N)=O)cc2)CCO1,-1.5539690256118774
+CC(O)=Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-0.9282656908035278
+COc1cc(Cl)ccc1NC(=O)Cc1ccc(F)cc1Cl,-0.8179655075073242
+C[C@H]1CCC[C@@H](n2ccc(C(=O)Nc3ccn(C)n3)n2)C1,-1.0000693798065186
+Cc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1,-1.4770890474319458
+Cc1ccc(-c2ccccc2)cc1NC(=O)C[NH+]1CCOCC1,-1.4398988485336304
+O=C(NC1CC([NH+]2CCC(O)CC2)C1)c1ccc(Br)cc1,-1.1260462999343872
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1,-1.5784177780151367
+O=C(c1cc(O)nc2ccccc12)N1CCC(c2ccc(Cl)cc2)CC1,-0.4742830991744995
+COC(=O)c1ccc(NCc2ccc(Br)s2)cc1,-1.516783595085144
+O=C(C[NH+]1CC[NH+]2CCC[C@@H]2C1)NCc1ccc(F)cc1,-1.3027287721633911
+Nc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1F,-1.267055630683899
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0821114778518677
+O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.2158291339874268
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccn2)C1,-1.6407595872879028
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.533746361732483
+Fc1ccc(OCc2ccccc2)cc1F,-1.6971200704574585
+O=C(Nc1ccc2nsnc2c1)c1ccn(-c2ccccc2)n1,-0.8679071664810181
+CC1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3444294929504395
+CCOc1cccc(-c2ccc(CC(O)=NCC(C)N)cc2)c1,-1.3275526762008667
+Cc1ccc(CC(=O)NC[C@@H](O)c2ccc(Br)cc2)cc1,-1.4743802547454834
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-1.0825659036636353
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.3989040851593018
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4189221858978271
+Cc1nnc(N(C)Cc2cccc(F)c2)n1-c1ccccc1,-0.9309611916542053
+Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9758714437484741
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750106573104858
+O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCOC1,-1.1923348903656006
+O=C(NCc1ccc(F)cc1)N1Cc2ccc(Br)cc2C1,-0.9409475326538086
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2398436069488525
+O=C(Nc1ccc(F)cc1)N[C@H]1CCOC2(CCCC2)C1,-1.553224802017212
+Cc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCCCC2)c1,-1.034395456314087
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8976241946220398
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9942352771759033
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.30248400568962097
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.4731158018112183
+Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5449250936508179
+Cc1ccc(CCC(=O)Nc2ccc(N(C)C)cc2)cc1,-1.4809544086456299
+C[NH+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)C1,-0.7700147032737732
+COc1ccc(C)cc1C(=O)N1CCN(c2ccccc2)CC1,-1.1256351470947266
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.3978140354156494
+Cn1cc(NC(=O)C[C@@H]2CC[C@@H](c3ccccc3)C2)cn1,-1.4725205898284912
+Cc1cc(Br)ccc1C(=O)Nc1ccc(C2CCCCC2)cc1,-0.9222944378852844
+N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1,-1.3696866035461426
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0578522682189941
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1761387586593628
+COc1cccc(N2CCN(C(=O)[C@H]3CCC[NH+](C)C3)CC2)c1,-1.1222285032272339
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0096423625946045
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898278117179871
+COC(=O)c1ccccc1NC(=O)c1ccccc1,-1.5973474979400635
+Cn1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2)n1,-0.9812479615211487
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.2478125095367432
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)nc1,-0.8305680751800537
+O=C(NC[C@@H]1C[C@@H]1C1CCOCC1)c1ccc2ccccc2c1,-1.110878586769104
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cn2)C[C@@H](C)O1,-1.4782872200012207
+O=C(c1cc(F)c(F)c(F)c1)N1CCCC[C@H]1c1ccc(F)cc1,-0.3219018280506134
+Cc1ccc(-c2ccccc2OCc2ccc(Br)cc2)cc1,-1.203628420829773
+C[C@@H]1C[NH+](Cc2ccc(OC3CCCCC3)cc2)C[C@H](C)O1,-1.515055775642395
+COc1ccc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1,-1.0831600427627563
+CC(=O)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1,-1.5471727848052979
+CN1CCN(c2ccc(Br)cc2NC(=O)C(C)(C)C)C1=O,-0.7076766490936279
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.5005896091461182
+Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1F,-1.0617270469665527
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0866540670394897
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8956431746482849
+O=C(N[C@@H]1CCCC[C@H]1O)C1CCN(c2ccc(F)cc2)CC1,-1.0242558717727661
+C=C(C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1,-1.5138018131256104
+Nc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2486162185668945
+C[C@H]1C[C@H](NC(=O)c2ccccc2F)CCN1c1ccccc1,-1.0180115699768066
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1021114587783813
+O=C(N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9385067820549011
+Cc1ccc(Nc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)cc1,-1.1072263717651367
+O=C(NCc1cc2ccccc2[nH]1)N1CC[NH+]2CCCC[C@H]2C1,-1.0383069515228271
+O=C1NCCN(Cc2ccccc2)CCN1Cc1ccccc1,-1.4899355173110962
+Cc1ccccc1C(=O)N1CCCC[C@@H]1Cc1ccc(Cl)cc1,-0.9627348184585571
+Cc1nc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)ccc2o1,-1.0949978828430176
+COc1ccc(CCNC(=O)c2ccncc2Br)cc1,-1.465266227722168
+C[C@H]1CCCN(C(=O)C2CCNCC2)C1,-1.668648362159729
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(S)nc1O,-1.0350561141967773
+CN1CCCC(NC(=O)C2CCN(c3ccc(F)cc3)CC2)C1,-0.9802151918411255
+O=C1NCC2CC3(CCCC[C@H]13)C2,-1.529404878616333
+C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)C1,-0.899074912071228
+COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.4356122016906738
+O=C(NC(c1ccc(F)cc1)C(F)(F)F)c1ccccc1,-1.1142804622650146
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)ccc1F,-0.9738781452178955
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4573594331741333
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-0.9427169561386108
+Cc1cc(O)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.2426270246505737
+CN(Cc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1F,-0.7501798868179321
+CS(=O)(=O)CCN1CCC(NC(=O)c2ccccc2)CC1,-1.5600336790084839
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cn1,-1.2416651248931885
+CC1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2)CC1,-1.5573797225952148
+O=C(c1ccc2c(c1)CCCCC2)N1CCN(c2ccc(F)cc2)CC1,-0.6790778040885925
+Cc1noc(C)c1C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,-0.7235773801803589
+COc1cccc(NC(=O)N2CCOC3(CCCCCC3)C2)c1,-1.5287449359893799
+C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(O)c2)C1,-1.46345055103302
+O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H]1c1ccco1,-1.076518177986145
+O=C(c1ncccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.9050936698913574
+O=C(NCC1CCCCC1)c1ccc2c(c1)C(=O)CC2,-1.281838059425354
+CC(C)C1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1,-0.7638609409332275
+O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1cc2ncccc2o1,-1.0599334239959717
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Br)cc2F)CC1,-1.0555483102798462
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(F)cc1,-1.6169824600219727
+O=C(Nc1cnn(-c2ccc(Cl)c(F)c2)c1)C1CCCC1,-0.8210886716842651
+Cc1nc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)co1,-1.1147626638412476
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9984891414642334
+CC(C)[C@H](NC(=O)Cc1ccccc1)c1ccc(I)cc1,-1.3942588567733765
+O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.4716477394104004
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)N1CCCCCC1,-1.3224364519119263
+CCCCCCNC(=O)CC[NH+]1CCC[C@H]1c1ccc(F)cc1,-1.450735092163086
+c1ccc(-c2noc(-c3ccc(CN4CCCCC4)cc3)n2)cc1,-1.215147614479065
+CC[NH+]1CCC(NC(=O)C(C)(C)C)CC1,-1.6896787881851196
+[O-]c1ccc(CNc2cc(Cl)nc(-c3ccccc3)n2)cc1,-0.9553418159484863
+Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)c1,-1.464200735092163
+Cc1ccc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nc2c1,-0.46058836579322815
+O=C(NCCc1ccsc1)Nc1ccc(F)cc1,-1.6126528978347778
+O=C(Cc1ccccc1)N1CC[NH+](Cc2cccc(O)c2)CC1,-1.5310429334640503
+O=C(c1cccc(F)c1)N1CCN(C(=O)C2Cc3ccccc32)CC1,-0.7403560280799866
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0606484413146973
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9688140749931335
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6402236223220825
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)on1,-1.0387150049209595
+Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]1,-1.19285249710083
+Cn1cc(CC(=O)NCc2ccc(Cl)c(Cl)c2)cn1,-1.0442019701004028
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2586711645126343
+O=C(N[C@H]1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccc(Cl)cc1O,-0.940595269203186
+O=C(N[C@H]1CC[C@H](O)CC1)N1CCCN(c2ccccc2)CC1,-1.402315378189087
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9652007222175598
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567813873291016
+O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9578044414520264
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0263243913650513
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9683998227119446
+O=C(NCc1cc2ccccc2[nH]1)c1ccc(F)c(Cl)c1,-0.92645263671875
+CC1CC[NH+](Cc2ccc(-c3nc(C(C)C)no3)cc2)CC1,-1.0486260652542114
+C[NH+]1CCC(N2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)CC1,-0.9983153939247131
+Cc1ccccc1[C@@H]1CCCN(C(=O)Nc2ccc(Cl)nc2)C1,-0.8734013438224792
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9586767554283142
+CC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2F)CC1,-0.9899311661720276
+Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.5123953819274902
+O=C(Nc1ccc(Cl)cc1O)c1ccc(C2CCCCC2)cc1,-0.9187875986099243
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.5132852792739868
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3573428392410278
+C[C@@H]1CCC[NH+](C[C@H](O)CNC(=O)c2ccc(I)cc2)C1,-1.2230942249298096
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1,-1.103966236114502
+Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC[NH+]3C)CC2)c1,-1.0747742652893066
+O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)C1CCCCC1,-1.326885461807251
+C[S+]([O-])CCCNC(=O)[C@@H]1CCC[C@H](c2ccc(F)cc2)C1,-1.1383870840072632
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.214568018913269
+c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.2852774858474731
+O=C(c1cccs1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1,-1.1479456424713135
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9687369465827942
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.8659108877182007
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.127752661705017
+Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1C,-1.1947790384292603
+Cc1ccc(N2CCN(C(=O)c3cc(C)c(F)c(Cl)c3)CC2)cc1,-0.4930596649646759
+C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.3245409727096558
+O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.4823633432388306
+C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.024524211883545
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.9966091513633728
+Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1,-1.0424009561538696
+C[NH+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1381875276565552
+COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1,-1.4736284017562866
+Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)no1,-1.4638068675994873
+O=C(Nc1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8620115518569946
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.3450675010681152
+Fc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(Br)cc3)C2)c1,-1.063477873802185
+CCCC(=O)N1CC[NH+](Cc2ccc(-c3cn[n-]n3)cc2)CC1,-1.1891505718231201
+CC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1,-0.8887959122657776
+O=C(COc1ccccc1)Nc1cccc([N+](=O)[O-])c1,-1.6700854301452637
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(Br)cc2)CC1,-1.1356455087661743
+Cc1ccc(C(=O)NCc2cc3ccc(F)cc3o2)cc1,-1.3039617538452148
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5413883924484253
+C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.1813137531280518
+O=C(Nc1ccccc1)N1CCCC1C(O)=NC1CCCc2ccccc21,-0.8297507166862488
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@@H](C)O1,-1.5036612749099731
+Cc1ccc(CC(=O)NCC(=O)c2ccc(Br)cc2)s1,-1.3378143310546875
+O=C(c1ccccc1-c1nn[n-]n1)N1CCCC(C(O)=NC2CC2)C1,-0.646526038646698
+Cc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.094759225845337
+O=C(c1ccccc1I)N1CCCC[C@H]1Cc1ccc(F)cc1,-0.8454834222793579
+Cc1nc2ccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2[nH]1,-0.8185437917709351
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(F)ccc4n3)CC2)cc1,-0.5314087271690369
+O=C(Nc1nnc(-c2ccccc2)s1)C1Cc2ccccc2C1,-0.8773852586746216
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1043614149093628
+Cc1ccc(CN=C(O)[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.3025673627853394
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.6632517576217651
+COc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.6079424619674683
+N[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1,-1.553213119506836
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5121104717254639
+CC(C)(C)c1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1,-1.1675987243652344
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.153950572013855
+CC(C)(C)CC(=O)N1CCC(NCC2CCCCC2)CC1,-1.4443906545639038
+O=C(N[C@@H]1CCO[C@@H](c2c(F)cccc2F)C1)c1ccccn1,-1.034999966621399
+O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCCCCC2)cc1,-1.5087536573410034
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@@H](O)C1,-1.4286855459213257
+COc1ccc(C(=O)NCCCc2ccccc2)cc1,-1.6260364055633545
+O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1F)c1ccc(F)cc1,-0.8824120163917542
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(Br)c1,-0.882267415523529
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3363274335861206
+C[C@H](CC(=O)Nc1ccccc1)C(=O)N1CCC2(CCCCC2)CC1,-1.390549659729004
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2884833812713623
+O=C(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2,-1.3098325729370117
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0325545072555542
+Nc1cc(CNC2CCCN(c3ccccc3)C2)ccc1F,-1.0985873937606812
+O=C(Nc1ccc(Cl)cc1F)N1CCOC[C@@H]1c1ccccc1,-1.0034406185150146
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1,-0.9926642775535583
+Clc1ccc(NC2CC[NH+](CC3CCOCC3)CC2)cc1Cl,-0.9899049997329712
+COCC1CCN(C(=O)NC2CCN(C)C2)CC1,-1.6074258089065552
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0478599071502686
+Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1611508131027222
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.5124281644821167
+CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1024446487426758
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.19970703125
+Cc1ccc(CC(=O)NCCc2cccc(Br)c2)c(F)c1,-1.1221317052841187
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948821067810059
+Nc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.576563835144043
+O=C(NCc1ccc(F)cc1)N1CCC2(CCCCC2)C1,-1.5206971168518066
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0286048650741577
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.1839401721954346
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.112568736076355
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820154666900635
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.155576229095459
+Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2o1,-1.1002029180526733
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.930049479007721
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9525694251060486
+CC(C)CNCc1ccc(Nc2ccccc2)cc1,-1.6405065059661865
+O=C(CCN1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.518960952758789
+C[C@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3038218021392822
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1135034561157227
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9904869794845581
+CCn1nc(NC(=O)c2ccc3c(c2)CCCC3)cc1C,-0.9952352046966553
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084668517112732
+COc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2)CC1,-1.4212732315063477
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.669739842414856
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0157744884490967
+Fc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1,-1.0059404373168945
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccn3)C2)CC1,-1.523559808731079
+CC1(C)CCC[C@@H](C(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1,-1.2496165037155151
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1501790285110474
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-1.1102231740951538
+Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.284744381904602
+CN1CCCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)C1,-1.3129966259002686
+CC(C)COc1ccc(CNc2ccccc2)cc1,-1.6683396100997925
+O=C(N[C@@H]1CC12CCC2)[C@@H]1CCN(c2cccc(Cl)c2)C1,-1.0387130975723267
+CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCCF,-1.295545220375061
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.65411376953125
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125234603881836
+Fc1ccc(N2CCC(NCc3ccc(I)cc3)CC2)cc1,-1.12081778049469
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565145015716553
+COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.514951229095459
+CCc1cccc(C(=O)NC[C@H]2COc3ccccc32)c1,-1.3469756841659546
+O=C(Nc1ncccc1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0484215021133423
+O=C(Nc1ccc(Cl)cc1Br)N1CCOC[C@@H]1c1ccccc1,-0.9197023510932922
+C[C@@H]1Cc2cc(C(=O)N[C@H](C)[C@@H]3CCCCO3)ccc2O1,-1.2697886228561401
+CCc1nn(C)cc1C(=O)NC[C@H]1CCCCO1,-1.4241883754730225
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1476892232894897
+O=C(c1cc2cnccc2[nH]1)N1CC[C@H](Oc2ccccc2)C1,-1.2140501737594604
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2730950117111206
+CCc1nc(C[NH+]2CCN(C(=O)C3=CCCCC3)CC2)no1,-1.172033429145813
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1,-1.0390230417251587
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8861724734306335
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.075020432472229
+CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.2155098915100098
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(N)cc2)nn1,-0.8956222534179688
+COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2,-1.2526906728744507
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Br)cc2)CC1,-0.8522655963897705
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.9017010927200317
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-1.0754749774932861
+COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.5931532382965088
+Nc1ccc(C(=O)NCC2CC3(CCC3)C2)cc1F,-1.2483323812484741
+C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2)C1,-1.317116141319275
+Fc1ccc(COC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.3139234781265259
+CCOc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)cc1,-1.6420838832855225
+COc1ccccc1CNC(=O)c1ccc(Cl)s1,-1.367148756980896
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccccc1-c1ccc(F)cc1,-0.9621526598930359
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5044662952423096
+CC1(C)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5626026391983032
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577799320220947
+O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.4996716976165771
+CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.2514339685440063
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1419647932052612
+CCc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9942305684089661
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2041445970535278
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.109512448310852
+O=C(Nc1conc1-c1ccc(F)cc1)[C@@H]1CC[C@@H](F)C1,-1.0069549083709717
+O=C(N[C@H]1C[C@@H](c2ccccc2)OC1=O)c1cccc(Br)c1,-1.1953389644622803
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9731391668319702
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241735935211182
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1,-1.3581898212432861
+O=C(NC1CCOCC1)N1CCCC[C@H]1c1ccc(F)cc1F,-0.926037609577179
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1cccc(O)c1,-1.126549482345581
+COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C)cc3)C2)cc1,-1.268158197402954
+Cc1noc([C@@H]2CCC[C@H]2NC(=O)c2ccc(F)cc2)n1,-0.9495222568511963
+C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.1607835292816162
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.002586841583252
+Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)nn2)cc1,-0.8409196138381958
+COc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2c2ccc(Cl)cc2)cc1,-1.3385075330734253
+COC1(CNC(=O)c2ccc(C)cc2)CCCC1,-1.6772147417068481
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9867957234382629
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.2931976318359375
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8917326331138611
+CC1(C)CN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.5171502828598022
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1468331813812256
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1931718587875366
+Fc1ccc(NCCc2nc(-c3ccc(F)cc3)no2)cc1,-1.2200907468795776
+Clc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl,-1.0482102632522583
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8124811053276062
+O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1,-1.4463123083114624
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3539299964904785
+Cc1ccc(C(Oc2ccc(Cl)cc2)c2ccccc2)cc1,-1.3246150016784668
+C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4984915256500244
+C[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCCO1,-1.50399649143219
+CC1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1,-1.4778022766113281
+O=c1[nH]c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2[nH]1,-0.8876588344573975
+Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1734451055526733
+O=C(Cc1ccc(N2CCCCC2)cc1)NCC(F)(F)F,-1.3672609329223633
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.8580904006958008
+c1ccc(Oc2ccccc2-c2nc(-c3ccccc3)no2)cc1,-1.2675151824951172
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568348169326782
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4190583229064941
+CC(C)CCC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH3+])cc1,-1.5235941410064697
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2163492441177368
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2167394161224365
+O=C1C[C@H](NC(=O)c2ccccc2-c2ccccc2)CCN1,-1.304793119430542
+C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2C(N)=O)CC1,-0.9581781625747681
+CC1(C)[NH2+]c2ccc(C(=O)NC[C@@H]3CCCO3)cc21,-1.394761562347412
+CC1CN(Cc2ccc([NH3+])cc2)CCN1Cc1ccccc1,-1.4513827562332153
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.278249740600586
+O=C(C[NH2+]CC1CCCC1)NC1CCCCCC1,-1.6995911598205566
+Cc1cccnc1CNC(=O)Cc1ccc2c(c1)OCO2,-1.2342150211334229
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.3946971893310547
+C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(O)cc1,-1.3368339538574219
+NC(=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-0.9843147397041321
+Cn1cc(C(=O)NCc2cccc(F)c2)c2ccccc21,-1.0570108890533447
+O=C(CCc1ccc(O)cc1)NCCc1ccc(O)cc1,-1.5722239017486572
+Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5757712125778198
+O=C(N[C@@H]1CCCO[C@H]1c1ccccc1F)c1ccc(F)cc1,-0.9993703961372375
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0384628772735596
+CCCCc1ccc([C@H]2CCCC[NH+]2Cc2ccc(F)cc2)cc1,-1.317660927772522
+[NH3+]c1ccccc1C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1,-0.9427797198295593
+Cc1c(F)cccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.034445881843567
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1427162885665894
+O=C(Nc1cccc(I)c1)c1ccc(N2CCCC2=O)cc1,-1.0289582014083862
+Nc1cccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)c1,-1.3199734687805176
+CC(C)[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCCCC1,-1.151354432106018
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.2152453660964966
+Fc1ccc(-c2noc(COc3ccc(Cl)cc3F)n2)cc1,-0.8416449427604675
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccn2)cc1,-1.4958301782608032
+Cc1ccc(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2)cc1C,-0.5827077627182007
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1988193988800049
+CC(C)(C(=O)NCc1ccc(F)cc1)N1CCCC1=O,-1.2874689102172852
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641394019126892
+CN1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1807489395141602
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4887069463729858
+Cc1ccc(NC(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.018470048904419
+CC1(Nc2cccc(Br)c2)CCN(Cc2ccccc2)CC1,-1.4300976991653442
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9435401558876038
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7339550256729126
+Cc1ccc(C(=O)N2CCC[NH+](CC3CCCCC3)CC2)cc1,-1.316404938697815
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.1550811529159546
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8956757187843323
+O=C(NCc1ccc(F)c(Br)c1)c1ccc2[nH]ncc2c1,-0.8090544939041138
+O=C([O-])c1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1,-1.136088490486145
+O=[N+]([O-])c1cc(NCc2ccccc2)ccc1N1CCOCC1,-1.449432373046875
+Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)co1,-1.0567413568496704
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.013853907585144
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.131750464439392
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.8337523341178894
+Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(Br)cc2)cn1,-0.898047924041748
+CCCC(=O)N1CCN(CC2CC[NH+](CC(=[NH2+])O)CC2)CC1,-1.432541012763977
+O=C(Nc1ccc(Br)cc1)N1CCC(c2ccccc2Br)CC1,-0.7940652966499329
+Clc1ccccc1N1CC[NH+](Cc2noc(C3CCCC3)n2)CC1,-0.8312643766403198
+C[NH+]1CCC[C@H](C[NH+]2CCN(Cc3cccc(F)c3)CC2)C1,-1.3230514526367188
+O=CNCC1CCCCC1,-1.9952400922775269
+Cc1cccnc1C(=O)N1CC[NH+](Cc2cccc(Br)c2)CC1,-0.9921895861625671
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1662007570266724
+CCOc1ccc(NC(=O)N2CC[C@@H](C)C2)cc1,-1.628876805305481
+C[C@@H]1CCN(C(=O)c2ccccc2)CC[C@@H]1Cc1ccccc1,-1.3320244550704956
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908036470413208
+c1ccc(C[NH+]2CCCCC2)cc1,-1.8837714195251465
+C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.18892502784729
+Cn1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)n1,-0.8548601865768433
+CC(C)N1CCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)CC1,-1.0622950792312622
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2768497467041016
+[NH3+]C1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1478283405303955
+Cc1ccc(N)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1141736507415771
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3939226865768433
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043884992599487
+Cc1ccc(NCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1,-1.2922301292419434
+O=Cc1ccc(-c2ccc(OCc3ccccc3)cc2)c(F)c1,-1.2920024394989014
+Cc1ccccc1C[NH+]1CCC(C(=O)c2ccc(Br)cc2)CC1,-0.9757480025291443
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846201539039612
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1Cl,-0.7956187725067139
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2766269445419312
+CCC(CC)C(=O)N1CCN(C(=O)C(=O)c2ccc(F)cc2)CC1,-0.7952587604522705
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.4411898851394653
+CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4311796426773071
+O=C(CCOc1ccccc1)N1CCC([NH+]2CCCCC2)CC1,-1.5030949115753174
+Cc1ccccc1CNC1CCN(C(=O)C(C)(C)C)CC1,-1.1825942993164062
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1552269458770752
+O=C(NC1CCOCC1)N1CCC(c2ccc(F)cc2F)CC1,-0.9438387751579285
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.3983572721481323
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1500942707061768
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.0734105110168457
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.0333693027496338
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9116186499595642
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2814570665359497
+O=C(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.876901388168335
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(I)cc1)CC2,-0.5861896872520447
+C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1,-0.940259575843811
+Oc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1F,-1.3966071605682373
+N#Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1,-1.3273667097091675
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)C1CCCCC1,-0.7862125635147095
+CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1,-1.5395915508270264
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0841445922851562
+Cc1ccc([C@H]2C[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1,-1.0822758674621582
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(C)c1,-1.044977068901062
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.358008623123169
+O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(F)cc1,-1.2794450521469116
+CC1(C)C[C@H](NC(=O)NC(=O)C(C)(C)C)CCO1,-1.6781721115112305
+Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(C)c1,-1.1555434465408325
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccsc2)CC1,-0.999442458152771
+c1nc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n[n-]1,-1.0887699127197266
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(O)cc2)C1,-1.5402380228042603
+O=C(N[C@@H]1CCC2(CCC2)C1)c1csc(C2CCCC2)n1,-1.1506682634353638
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.3631621599197388
+C[C@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1,-1.1252315044403076
+O=C(Nc1ccc(Cl)cc1O)c1ccc(-c2ccccc2)cc1,-1.1771677732467651
+CCC(OC)C(=O)N1CCN(C(=O)c2ccc(N)cc2)CC1,-1.1390118598937988
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.226642370223999
+O=C(NC1CC(c2cccc(Cl)c2)C1)c1ccc(F)cc1,-1.1359009742736816
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)N1CC[C@@H](c2ccccc2)C1,-1.2464826107025146
+O=C(NC1CCCCC1)N1CCC(c2ccc(F)cc2F)CC1,-0.9240208268165588
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.031125783920288
+Cc1ccc(N2CCOCC2)c(NC(=O)[C@H]2CCC[NH+](C)C2)c1,-1.2533135414123535
+C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C1,-1.5573045015335083
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1409310102462769
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0992621183395386
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1976563930511475
+CCc1ccc(NC(=O)C[NH+]2CCC(CC)CC2)cc1,-1.5659383535385132
+Cc1cc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)n[nH]1,-1.2044868469238281
+O=C(Nc1ccc(N2CCNCC2)cc1)c1cc(F)ccc1F,-0.9053782224655151
+O=C(c1cccc(F)c1)N1CCN(CCc2cc[nH+]cc2)CC1,-1.348657488822937
+CCOC(=O)c1ccc(C(=O)N2CC[N]CC2)cc1,-1.6277823448181152
+CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2147077322006226
+COc1ccc(CNC(=O)C2(O)CCCC2)cc1,-1.683609127998352
+CCc1cccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1,-1.4831987619400024
+CCOc1ccccc1NC(=O)c1csc(Br)c1,-1.4017378091812134
+CC(C)(O)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1,-1.5482996702194214
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.54841148853302
+CCc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9417134523391724
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O,-1.2762137651443481
+CCCCc1ccc(CNC(=O)[C@@H]2CCCCO2)cc1,-1.617883563041687
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.0622966289520264
+O=C(NC1CCN(c2ccccc2O)CC1)c1ccc(F)cc1,-1.069763422012329
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.1887768507003784
+Fc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccccc1,-1.301788091659546
+Clc1cc(Br)c(N2CCOCC2)c(NCc2ccccc2)c1,-0.9434630274772644
+O=C(Cc1nc(-c2ccccc2)no1)N1CCC[C@@H](C2CCOCC2)C1,-1.0333553552627563
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3891868591308594
+O=CNCc1cccs1,-1.998215913772583
+CC(C)(O)C[NH+]1CC(NC(=O)c2cc3c(s2)CCCC3)C1,-1.0944180488586426
+Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.083783507347107
+CCc1cccc(C(=O)N[C@H]2CCOC3(CC(C)C3)C2)c1,-1.5191001892089844
+C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(I)c2)C1,-1.1991387605667114
+C[NH+]1CCC[C@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-0.9823236465454102
+O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@@H]1c1ccccc1,-1.2068661451339722
+Cc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1,-1.0017969608306885
+O=C(O)c1ccc(COc2cccc([N+](=O)[O-])c2)cc1,-1.6111106872558594
+CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.6016359329223633
+O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3755230903625488
+C[C@@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1,-0.8079867362976074
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.99520343542099
+O=C(NCC1CCCCC1)Nc1ccc(Br)nc1,-1.501184344291687
+Cc1ccc(NC(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1233419179916382
+Cc1ccc(CC(=O)NC[C@@H]2C[C@@H]3CCCC[C@H]3O2)cc1,-1.5198012590408325
+O=C1CCCCN1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.0826343297958374
+CC(C)(C)c1ccc(NC(=O)N2CCNC(=O)C2)cc1,-1.3106410503387451
+O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.9196246862411499
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1Cl,-1.076926589012146
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1,-1.0719563961029053
+C[C@H]1CC[NH+](C[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)C1,-1.1941320896148682
+CCC(=O)N1CCC(C(=O)Nc2nc(C)c(C)s2)CC1,-0.8035648465156555
+O=C(O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,-0.9124138355255127
+Cc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)no1,-0.858801543712616
+O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5396980047225952
+O=C(NCc1ccccc1)Nc1ccc(Br)nc1,-1.543807029724121
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3578381538391113
+Cc1cc(O)ccc1NC(=O)[C@H]1CCCC[C@H]1c1ccccc1,-1.0952001810073853
+O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1,-0.9187288284301758
+COc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.6098301410675049
+O=C(Nc1ccc(Cl)cc1)C1CCC(N2CCCC2=O)CC1,-1.069161057472229
+Cc1cccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1,-1.3367445468902588
+O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.1947492361068726
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413304805755615
+Cc1ccc(OCc2noc(-c3ccc(Br)cc3)n2)c(C)c1,-0.9202895760536194
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1cccc(O)c1,-1.2742905616760254
+O=C1CCC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.2506657838821411
+O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1F,-1.359122395515442
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2621020078659058
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0479406118392944
+NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1,-1.272170901298523
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2008640766143799
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1995086669921875
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8801558017730713
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9333546161651611
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0755013227462769
+CC(C)Oc1ccc(C[NH+]2CCOC3(CCOCC3)C2)cc1,-1.587350606918335
+Cc1nn(C)cc1CN1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9237340688705444
+Clc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.1197558641433716
+Nc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.226855754852295
+Cc1cccnc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9622134566307068
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764898419380188
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-0.9985502362251282
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]1,-1.2337706089019775
+Cc1c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cnn1C,-0.6756630539894104
+CC1(C)CC(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1,-1.5675652027130127
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.01091468334198
+CC[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1,-1.2771790027618408
+Cc1noc(C)c1C(=O)N[C@H]1CCN(c2ccccc2)C1,-1.1318038702011108
+Cc1ccc(CNCC(O)c2ccc(F)cc2)cc1C,-1.2933399677276611
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.060626745223999
+Cc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.4157623052597046
+O=C(Cc1ccc(I)cc1)NCC(=O)N1CCCCC1,-1.426443338394165
+C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.1424189805984497
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2F)CC1,-1.000166893005371
+CC(C)N1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1,-0.876081109046936
+CC[NH+]1CC[C@H](C(=O)NCc2ccc(Br)cc2)C1,-1.4949936866760254
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1,-1.3521809577941895
+O=C(Cc1ccco1)N[C@H]1CCO[C@@H]1c1ccc(F)cc1,-1.5179895162582397
+Cc1ccc(N2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)CC2)cc1,-0.8290308713912964
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2o1,-1.3260056972503662
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1893748044967651
+C[NH+]1CCN(CCCNC(=O)Cc2cccc(Br)c2)CC1,-1.4557324647903442
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2184993028640747
+O=C(CNc1ccccc1)NC[C@H]1CCCCO1,-1.7307770252227783
+O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.3067600727081299
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-1.0138678550720215
+Cc1cccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)c1,-1.0245033502578735
+O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1ccc(Br)cn1,-0.8006938099861145
+CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1,-1.4268944263458252
+Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8985725045204163
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4961392879486084
+Cc1cc(CC(=O)Nc2nnc(-c3ccccc3)s2)n[nH]1,-1.033879280090332
+COc1ccc(NC(=O)N2CCC[C@H](CCO)C2)cc1,-1.5681437253952026
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2749264240264893
+Fc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1,-1.3602783679962158
+O=C(N[C@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.0704632997512817
+O=C(Nc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1F,-0.9535188674926758
+Cc1cccnc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-0.8864197134971619
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.1487836837768555
+C[C@@H]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1,-0.7888875603675842
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431884765625
+O=C(Nc1ccccc1F)C1=CC[NH+](CC2CCCCC2)C1,-1.2601063251495361
+O=C(NCCc1ccccc1)N[C@H]1CC12CCC2,-1.6823033094406128
+O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2Br)C1,-0.8831655979156494
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(F)cc1,-1.5676829814910889
+Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0359781980514526
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(F)cn1,-0.9978777170181274
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(F)F)CC2)cc1,-1.2693737745285034
+O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.012139081954956
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2cccc(Cl)c2)s1,-1.0372949838638306
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4274758100509644
+C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.2464205026626587
+C[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.1538900136947632
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1175187826156616
+O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cn2)CC1,-0.9783339500427246
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0376416444778442
+C[NH+]1CCC[C@H](C(=O)NC2CC(c3ccc(F)cc3)C2)C1,-1.0989960432052612
+Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.2880476713180542
+O=C(Nc1ccc(Br)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.7302724123001099
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)nc1,-0.9279904365539551
+CCOC(=O)c1ccc(CN2CCC(O)C2)cc1,-1.65120267868042
+CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(OC)cc1,-1.52719247341156
+Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1515499353408813
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1844382286071777
+O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1,-1.610113263130188
+CC(C)(C)c1ccc(C[NH+]2CC[C@H](c3ccccc3)C2)cc1,-1.3565293550491333
+O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC2(CCCC2)C1,-1.0591411590576172
+C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.4627765417099
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9086820483207703
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9438725709915161
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-1.1301954984664917
+O=C(Nc1ccccc1C1CCCCC1)c1cc(Br)ccc1[O-],-0.8904176354408264
+CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1O,-1.6427865028381348
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.039284586906433
+Cc1cc(C)c(C(=O)NCCc2cccc(Cl)c2)c(C)c1,-0.9186542630195618
+Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2c1C,-0.4928782284259796
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2985000610351562
+CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1,-1.4042119979858398
+Cc1ccc(NC2(O)CCN(Cc3ccccc3)CC2)cc1,-1.560325264930725
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.06877601146698
+Cc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.2285704612731934
+O=C(Nc1nnc2ccccn12)c1csc(-c2ccccc2)n1,-0.826141893863678
+O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)OCO2,-1.5466417074203491
+CC(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCN(C)CC1,-1.5011801719665527
+CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[NH3+])cc1,-1.3317593336105347
+O=C(c1ccc(Br)nc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.840453028678894
+CCC(C)(C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-1.0981717109680176
+CC(=O)NC1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1,-0.9782100915908813
+Cc1ccc(C(=O)NCc2ccc3oc(C)nc3c2)cc1,-1.158202052116394
+C[NH+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,-1.1487269401550293
+O=C(NC1CC2(CCC2)C1)c1cc(-c2ccccc2)[nH]n1,-1.3716306686401367
+C[C@@H](CNC(=O)COc1ccccc1)c1ccccc1,-1.6869648694992065
+COc1cccc(C[NH+]2CCN(C(=O)C(C)(C)F)CC2)c1,-1.3147895336151123
+Cc1nc(N)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8888170719146729
+Fc1ccc(-c2nccc(NCc3cccc(Br)c3)n2)cc1,-0.8904146552085876
+Cc1cc(F)ccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1,-0.9706897139549255
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1379802227020264
+Oc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1F,-1.2936118841171265
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.45696547627449036
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9776515960693359
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.440017580986023
+Cc1ccc(C[C@H](O)CNC(=O)N2CC[NH+](C)CC2)cc1,-1.5238826274871826
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)C1CCCCC1,-0.7977943420410156
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198289155960083
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3621771335601807
+CC1(C)CCN(C(=O)C2CC[NH+](C[C@@H]3CCCO3)CC2)C1,-1.479453682899475
+COc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.126375436782837
+CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1,-1.4931362867355347
+C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1,-0.9826849699020386
+Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)no1,-1.2952806949615479
+Cc1cccc([C@@H]2C[C@H](NC(=O)c3ccccc3F)CCO2)c1,-1.1428980827331543
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.882631778717041
+CC(C)c1ccc(C2CCCCN2C(=O)c2ccccc2)cc1,-1.0448981523513794
+C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,-1.2097052335739136
+Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0884586572647095
+CC(C)N1CCN(C(=O)C2CCCN(c3ccccc3)C2)CC1,-1.047523856163025
+CCN1CC[NH+]([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1,-1.0861231088638306
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1589263677597046
+C[NH+]1CCN(C2CC(NC(=O)c3ccc(Br)cc3)C2)CC1,-0.9668920636177063
+Cc1cc(Br)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.0602513551712036
+Cc1nc2cc(CNC(=O)CCC3CCCC3)ccc2o1,-1.343482255935669
+CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1,-1.5539822578430176
+Ic1ccc(CNCN2CCN(c3ccccc3)CC2)cc1,-1.4165148735046387
+O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2,-1.4006679058074951
+CC(C)c1ccc(NC(=O)N2CCC(=O)[C@@H](C)C2)cc1,-1.1428014039993286
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.498670220375061
+O=C(Cn1nnc2ccccc21)NCc1ccc(Br)cc1,-1.0449035167694092
+CC(C)Oc1ccc(NCC(O)=NCCC(F)(F)F)cc1,-1.5168811082839966
+CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.2564738988876343
+Fc1ccc(-c2ccncc2NCc2ccc(Cl)cc2)cc1,-1.005293607711792
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.247841477394104
+CC1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.1551028490066528
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-0.9303569793701172
+O=C([C@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1069390773773193
+Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-1.1541123390197754
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.011951208114624
+Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)nc2)c1,-0.8518885970115662
+Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1,-0.9651873707771301
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1236798763275146
+CC(C)(C)OC(=O)N1CCC([NH+]2CC23CCC3)CC1,-1.6098439693450928
+O=C(NCc1ccc(I)cc1)c1cc2ccc(O)cc2[nH]1,-1.0132107734680176
+O=C(Cc1ccc(O)cc1)N1CCN(c2ccc(O)c(O)c2)CC1,-1.0474714040756226
+O=C(Nc1ccn(-c2ccccc2)n1)C(=O)N1CCCCC1,-1.3853416442871094
+Cc1nc2cc(C(=O)NC[C@H]3CC34CCCC4)ccc2[nH]1,-0.9682873487472534
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0267722606658936
+Cc1nnc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)o1,-1.2069326639175415
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-1.0979316234588623
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9313725233078003
+O=C(NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1,-1.356249451637268
+Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c1,-1.0336023569107056
+Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1F,-1.257262945175171
+COc1ccccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1,-0.9604785442352295
+C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCCO1,-1.4323924779891968
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898329377174377
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.22469162940979
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.3788213729858398
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)[C@H]1CC12CCOCC2,-1.3499984741210938
+O=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1,-1.433117151260376
+Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.654287576675415
+O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1,-0.9274300336837769
+Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cn1,-0.8895259499549866
+Cc1ccc(NC(=O)C(C)Oc2ccc(F)cc2Cl)cc1,-1.205264687538147
+O=C(c1ccccc1Cl)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.8450416326522827
+Nc1cc(Br)ccc1CNC(=O)CCc1ccc(Br)cc1,-0.9530016779899597
+CN1CC[NH+](Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C1,-1.2904350757598877
+Cn1nc(CNC(=O)c2ccc(O)cc2)c2ccccc21,-1.026329755783081
+Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3110573291778564
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1F,-1.2479126453399658
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2080177068710327
+Cc1ccc(C2CC(NC(=O)c3ccc(O)cc3)C2)cc1,-1.2967586517333984
+Cc1cc(F)ccc1NC(=O)Nc1cc(Br)cc(F)c1C,-0.5327486395835876
+Cc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1Cl,-1.050065040588379
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.7543448209762573
+O=C(c1ccccc1Cl)N1CCC[C@@H](C[NH+]2CCC(O)CC2)C1,-1.0314857959747314
+C[C@@H]1COCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.4175477027893066
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.890388011932373
+O=C(Nc1ccc(F)nc1)N1CCN(c2ccccc2F)CC1,-0.8826687932014465
+CCCCC(=O)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5377553701400757
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.482612133026123
+COc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1,-1.6276450157165527
+COc1ccc(C(=O)N2CCC(c3cccc(O)c3)CC2)cc1,-1.1618682146072388
+O=C(N[C@H]1CCCN(c2ccccc2O)C1)c1ccc(F)cc1,-1.0743552446365356
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.083201289176941
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9680814146995544
+Cc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0746310949325562
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2053686380386353
+CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.5691051483154297
+Nc1cc(F)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1,-0.7547364830970764
+O=C(NCCc1ccccc1)N1CC[C@H](O)C2(CCC2)C1,-1.549225926399231
+Cc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3)C2)c(F)c1,-1.1494507789611816
+Cc1c(O)nc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12,-0.5503872036933899
+N#Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1,-1.562551736831665
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9315357208251953
+O=C(Cc1ccc(N2CCCCC2)cc1)Nc1ccccc1F,-1.4047443866729736
+O=C(NCc1ccc(F)cc1)N1CCO[C@]2(CC[NH2+]C2)C1,-1.5461760759353638
+O=C(N[C@@H]1CC12CCCCC2)[C@H]1CCCN(c2ccccc2)C1,-1.3086756467819214
+C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Cl)cc3)C2)C1,-1.0507944822311401
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9594885110855103
+O=Cc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1,-1.3812623023986816
+Cc1noc(-c2ccc(F)cc2)c1CNc1ccccc1Br,-0.8501948714256287
+Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-0.949653148651123
+CCc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(Br)cc1,-0.6680280566215515
+O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2o1,-1.1592129468917847
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.0056531429290771
+O=C(CCc1ccc(O)cc1)N1CCC(c2nc3ccccc3o2)CC1,-0.9269186854362488
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.0764878988265991
+O=C(NCc1ccc(Cl)c(F)c1)c1c[nH+]c2ccccn12,-0.9311174154281616
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1799845695495605
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480239391326904
+c1cc(-c2nn[n-]n2)ccc1CNc1ccc2c(c1)CCC2,-1.0863189697265625
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.343576192855835
+Fc1cc(-c2ccccc2)cc(OCc2ccccc2)c1F,-1.3046786785125732
+CCc1cccc(C(=O)N(C)CC(O)=Nc2scnc2C)c1,-0.9706041216850281
+CC1CCN(CC(=O)Nc2cccc(C(N)=O)c2)CC1,-1.548452377319336
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)n1,-0.7686082124710083
+Cc1cc(C)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-1.105484127998352
+CC1CCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1,-1.2617113590240479
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.2740812301635742
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(N)c1,-1.4077813625335693
+COc1ccc(NC(=O)c2cc3c(nc2C)CCCCC3)cc1,-0.8121070861816406
+CC1([NH3+])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4859968423843384
+Cc1cccc(CNC(=O)c2ccc3nc(C)oc3c2)c1,-1.160492181777954
+O=C(NCc1ccc(F)cc1)[C@H]1CCC2(CC[NH2+]CC2)C1,-1.4895869493484497
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2562129497528076
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9682245254516602
+Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9546205401420593
+CCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1,-1.5470232963562012
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.8848217129707336
+Cc1cccc(NC(=O)C2(c3ccc(Br)cc3)COC2)c1,-1.3508639335632324
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4634288549423218
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571057558059692
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617114067077637
+Cc1ccccc1CCNC(=O)[C@@H]1COc2cc(Cl)ccc2C1,-0.9576197862625122
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.4245799779891968
+C[NH+]1CCN(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C1,-1.343812108039856
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9628936052322388
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0724366903305054
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)o1,-1.0849604606628418
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)no1,-1.2604737281799316
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.148119568824768
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0417845249176025
+O=C(N[C@H]1CCCC[NH+]1C1CC1)c1ccc2c(c1)CCC2,-1.046653389930725
+CN(C)c1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1,-1.583105444908142
+O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)c(F)c1,-1.166084885597229
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565226078033447
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5275949239730835
+Cc1ccc(OCc2cc(O)ccc2-c2ccccc2)cc1,-1.5244145393371582
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278435945510864
+CC(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1,-1.0626479387283325
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccn2)CC1,-1.49525785446167
+O=C(N[C@@H]1CC12CCOCC2)N1CCN(c2ccccc2)CC1,-1.4603873491287231
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2339895963668823
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3220601081848145
+Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.5397404432296753
+O=C(Cc1ccccc1F)Nc1ccc(C(F)(F)F)cc1,-1.1284955739974976
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-1.0077520608901978
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4315118789672852
+Cc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1643424034118652
+O=C(c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1,-1.0632511377334595
+Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(O)c1,-1.1508311033248901
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.8887686133384705
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238703727722168
+COc1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1OC,-1.3595870733261108
+Cc1ccccc1CC1CCCN(C(=O)c2ccc(Cl)cc2)C1,-0.9985188841819763
+Cc1noc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1,-0.8538302183151245
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.457105040550232
+COc1ccc(CNC(=O)c2c[nH]c(C)n2)cc1,-1.5761632919311523
+Cc1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,-1.46233332157135
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.9055973291397095
+Cc1ccc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc1,-1.2604660987854004
+Cn1nc2ccc(CNC(=O)c3ccc(N)cc3)cc2n1,-0.9323934316635132
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n[nH]1,-0.935386061668396
+C[C@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCC1=O,-1.409920334815979
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.909010648727417
+C[C@@H]1C[NH+](CCCC(=O)NCc2ccccc2)C[C@@H](C)O1,-1.5983076095581055
+C[C@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0036169290542603
+O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.1973167657852173
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)nc1,-1.1761897802352905
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2Cl)CC1,-1.0170446634292603
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312389135360718
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(O)c1,-1.1538625955581665
+Cc1coc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.4368313550949097
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-1.0361639261245728
+Cc1ccc(-c2ccccc2)c(NCc2cccc(Cl)c2)c1,-1.1688092947006226
+c1ccc(CSCc2nc(-c3cccs3)no2)cc1,-1.5362141132354736
+COc1ccc(-c2nc(Cc3ccc(O)cc3)no2)cc1F,-1.0420503616333008
+Fc1ccc(-c2ccc(Cl)c(NCc3ccccc3)n2)cc1,-0.944243848323822
+C[NH+]1CCC(CNC(=O)CC(C)(O)C2CCCCC2)CC1,-1.5539945363998413
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1866472959518433
+O=C(NCc1ccc(Br)cn1)NC1CCCCC1,-1.5113141536712646
+CC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1,-0.9781676530838013
+Cc1cccc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1,-1.0314825773239136
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0934967994689941
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708699107170105
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4404349327087402
+N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1,-1.1576319932937622
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3018267154693604
+CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.635744571685791
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.967796802520752
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc([O-])cc1,-1.3730605840682983
+O=C(C1CCCCC1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0939042568206787
+Nc1ccc(CNC(=O)Cc2cc(Br)ccc2F)c(F)c1,-0.7673529386520386
+C[C@H]1CN(C(=O)NCc2ccc3occc3c2)CC[NH+]1C,-1.167417287826538
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872164249420166
+Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.88385409116745
+Cc1ncc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.8885049819946289
+COc1cc(F)c(F)cc1-c1noc(Cc2ccccc2)n1,-0.8912708759307861
+[NH3+]C[C@H](C(=O)NCc1ccc(Br)cc1Cl)c1ccccc1,-0.9684240818023682
+Cc1ccncc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-0.8271328806877136
+CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(Br)cc2)C1,-1.0233008861541748
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.227647066116333
+Cc1cc(Br)ccc1NC(=O)c1cnn(C2CC[NH2+]CC2)c1C,-0.5796123743057251
+O=C(NCc1cccc(Br)c1)Nc1ccccc1,-1.6238538026809692
+Cc1ccc(NC(=O)N2CCC(CC(=O)O)CC2)cc1,-1.547045350074768
+c1ccc(Cc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1,-1.0348457098007202
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9467378258705139
+O=C(NC1CCNCC1)C1CCCCC1,-1.7342398166656494
+Cc1nc(CCNC(=O)C[C@H](C)c2ccc(Br)cc2)no1,-1.2181181907653809
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.7809377312660217
+CC1(C)CN(C(=O)NC[C@@H](O)c2ccc(F)cc2)CCO1,-1.5215681791305542
+O=C(N[C@@H]1CC12CCC2)N1CCC[C@H](c2ccccc2)C1,-1.5340951681137085
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3810975551605225
+Fc1cc(NCc2ccccc2)c(C2CCOCC2)cc1Br,-1.1180837154388428
+N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1,-1.5287665128707886
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961345553398132
+Cc1ccc(-c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)cc1,-1.1402775049209595
+C[C@H]1CN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCCO1,-1.3493067026138306
+C[C@@H]1CCC[NH+](CC(=O)NCCCc2ccc(Br)cc2)C1,-1.4867279529571533
+Cc1cc(Br)ccc1C(=O)Nc1ccccc1N1CCCCC1,-0.8866799473762512
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.1321251392364502
+Clc1ccc(CNc2ccnc(-c3ccc(Cl)cc3)n2)cc1,-0.8605627417564392
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.158445119857788
+COc1ccc(Cl)cc1NC(=O)N1CCC2(CCCC2)C1,-1.2225691080093384
+O=C(Cc1c(F)cc(F)cc1F)NCc1ccc(O)cc1,-0.9270440936088562
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1968876123428345
+CC1(C)COCCN1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.2661834955215454
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.8988556861877441
+Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)c2ccc(C)s2)cc1,-1.0575940608978271
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Br)cc2O)CC1,-1.0652776956558228
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.4030766487121582
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368115901947021
+CC(C)(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.1003472805023193
+O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8137043118476868
+Cc1ccc(-c2ccc(NC(=O)N3CC[NH2+]C[C@@H]3C)cc2)cc1,-1.107413649559021
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750082731246948
+CC(=O)N1CCC(NC(=O)Cc2ccc(I)cc2)CC1,-1.3889186382293701
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1,-1.1133397817611694
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1972017288208008
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2540515661239624
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.7446177005767822
+CC(C)(C)CC(=O)NCc1nc(-c2ccc(F)cc2)no1,-1.174562931060791
+Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](F)C2)cc1,-1.0774096250534058
+O=C(N[C@@H]1CC12CCOCC2)[C@H]1CCC[C@H](c2ccccc2)C1,-1.3350324630737305
+CCCCC(=O)N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.5071355104446411
+CC1(C)CC[C@@H](NC(=O)c2ccc(-c3ncco3)cc2)C1,-1.3681198358535767
+O=C(NCc1ccccc1)Nc1ccc(I)cn1,-1.5421724319458008
+Cc1ccc(C)c(CCC(=O)NCc2ccc(Br)cc2)c1,-1.2153319120407104
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.2981675863265991
+C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-0.9138733744621277
+O=C(COc1ccc(F)cc1)N1CC[NH+](C2CCOCC2)CC1,-1.3972299098968506
+O=C(CCc1ccc(F)cc1)N[C@H]1CCc2ncsc2C1,-1.0102354288101196
+Cc1ccc(C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1625875234603882
+CC(C)N1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1,-1.1317058801651
+O=C(COc1ccccc1)N1CCC(N2CCCC2=O)CC1,-1.4668763875961304
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.278983235359192
+CC(C)(C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1,-1.0725816488265991
+O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccc(F)cc2F)c1,-0.9897801280021667
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698716640472412
+CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1,-1.3624510765075684
+C[C@@H]1CN(C(=O)Nc2snnc2C2CCCC2)C[C@H](C)O1,-0.9191777110099792
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.2687182426452637
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.001272201538086
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.021470308303833
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1,-1.1340705156326294
+Cc1ccccc1NC(=O)CCOCc1ccccc1,-1.6374791860580444
+Cn1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0553860664367676
+O=C1C[C@H](COc2ccc(Cl)cc2)CN1c1ccccc1,-1.3849942684173584
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3900628089904785
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1F,-1.135196566581726
+C[C@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(F)cc1,-1.3016846179962158
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1,-1.4701770544052124
+CCN1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-0.9676489233970642
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9469740390777588
+C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.0137078762054443
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1533056497573853
+Cc1nc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](F)C3)cc2)n[nH]1,-0.8706508278846741
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.112496018409729
+O=C(Cc1ccc(N2CCNC2=O)cc1)NC1CCCCC1,-1.5107239484786987
+Cc1cc(F)ccc1NC(=O)C[NH+]1CCC(C(C)C)CC1,-0.9829813838005066
+Cc1ccc(C2CCCC2)c(NC(=O)c2ccc(Br)o2)c1,-1.0550469160079956
+CC(C)(O)CC(=O)N1CCC(OC[C@H]2CCCCO2)CC1,-1.6008630990982056
+CC(C)C(C(=O)OCc1ccccc1)c1ccc(Cl)cc1,-1.3143516778945923
+Cc1cc(I)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9242686033248901
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C,-1.3798446655273438
+Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1N,-1.2768521308898926
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(F)c1,-1.0097440481185913
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.214642882347107
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2n[nH]nc2c1,-0.8683180212974548
+C[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9175516963005066
+Cc1ncsc1CNC(=O)Nc1cccc(Br)c1,-1.1763739585876465
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9978871941566467
+Cc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1,-1.1902529001235962
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.188119888305664
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114630222320557
+Cc1cccnc1C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1,-0.9377411007881165
+CC(C)(C)CNC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.1738492250442505
+CNC(=O)NC1CC[NH+](Cc2ccc(C)o2)CC1,-1.630411148071289
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1847820281982422
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9755585193634033
+Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cn1,-1.5448863506317139
+C[C@H]1CN(c2ccc(COc3ccccc3)cc2)CC[C@H]1[NH3+],-1.3382960557937622
+O=C(NCc1cccc(-c2ccccc2Br)c1)C(F)(F)F,-0.9243510365486145
+O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(F)cc2)C1,-1.2168458700180054
+O=C1CCC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1,-1.2465332746505737
+Nc1ccc(F)cc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.050240159034729
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.988851010799408
+O=C(NC1CCCCCC1)[C@@H]1CCCN(c2ccc(Br)cc2)C1,-1.1473841667175293
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9706496000289917
+c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3055299520492554
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1,-1.1638121604919434
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9351156949996948
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.3427321910858154
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0914801359176636
+O=C(NCc1ccc2nc(S)[nH]c2c1)c1cccc(Cl)c1,-0.8436135649681091
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(-c2nn[n-]n2)c1,-0.7869643568992615
+Cc1ccc(C(=O)NC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1188663244247437
+N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3362343311309814
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.8864332437515259
+CC1(C)CCCC(CN2CCN(Cc3ccccc3)CC2)C1,-1.5205272436141968
+O=C(Nc1cccc(F)c1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0873181819915771
+C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CCCC2)C1,-1.5657615661621094
+N#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1,-1.449747085571289
+C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H](CO)C2)C1,-1.5993430614471436
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1012934446334839
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)nc1,-1.0275897979736328
+O=C1N(Cc2ccccc2)CCN1Cc1cccc(Br)c1,-1.4695243835449219
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172456860542297
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070006251335144
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003945112228394
+O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1F,-1.0208635330200195
+Cc1ccc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2581881284713745
+N#CCc1ccc(C(=O)NCC2CCCCC2)cc1,-1.5949597358703613
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(O)c1,-1.2593649625778198
+Cc1cnc(NC(=O)C2CCN(c3nnc(C)s3)CC2)s1,-0.5750621557235718
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3636552095413208
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2172918319702148
+C[C@@H]1CN(C(=O)NC2CCOCC2)CCN1c1ccccc1Cl,-0.9510737657546997
+CN1CCN(c2ccc(C(=O)NC(C)(C)C)cc2)C1=O,-1.105118989944458
+Cc1ccc(C(=O)CNC(=O)CCc2cccs2)cc1,-1.5546278953552246
+c1cn(CC2CCCCC2)c(CNC2CCCC2)n1,-1.5793637037277222
+CN1C(=O)CC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2161567211151123
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.390257716178894
+Cc1nc(C2CCN(C(=O)Nc3cnc(C)s3)CC2)cs1,-0.6835178732872009
+Fc1cccc(CC2CC[NH+](Cc3ccc(F)nc3)CC2)c1,-1.1592384576797485
+Cc1ccc([C@H](O)CNC(=O)c2ccc(O)c(Cl)c2)cc1,-1.2151634693145752
+COc1ccc(CNC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.6071795225143433
+Nc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.5374038219451904
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c([18F])c1,-1.023511290550232
+Cc1nc2ccc(NC(=O)COc3ccccc3)cc2[nH]1,-1.3355417251586914
+O=C1NC[C@@H]2CCCN1C2,-1.8638697862625122
+CC1(C)C[NH+](Cc2ccccc2)CCC1Cc1ccccc1,-1.5216542482376099
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9781425595283508
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.576483964920044
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9688968062400818
+c1ccc(-c2nc3ccccc3nc2NCC2CCCCC2)cc1,-0.9548015594482422
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2F)CC1,-0.9954203963279724
+O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O,-1.073038935661316
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8690255880355835
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2s1,-0.8691437840461731
+CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1,-1.3551815748214722
+O=C(NC[C@H](O)c1ccc(F)cc1)c1cc(O)cc(Cl)c1,-1.0777162313461304
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.513064980506897
+O=C(NCc1ccccc1)Nc1ccc([SiH3])cc1,-1.6645015478134155
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1566473245620728
+C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.1847238540649414
+Cc1cc(-c2ccccc2)ccc1NC(=O)C[NH+]1CCOCC1,-1.4405183792114258
+C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1c1ccc(F)cc1,-0.42236214876174927
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9880779981613159
+O=C(CNC(=O)c1cccc(F)c1)c1ccc(F)cc1,-1.3018684387207031
+CCc1ccc(NC(=O)N[C@@H]2CCC[NH+]2C)cc1,-1.6134741306304932
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9066047668457031
+C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC2(CCO[C@@H](C)C2)C1,-1.4892185926437378
+O=C(N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1O,-1.0814273357391357
+O=C(Nc1ccc(-c2ccccc2)nc1)c1ccc(F)cc1Cl,-0.9717495441436768
+N#Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1,-1.5252705812454224
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5305235385894775
+[NH3+]c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2129573822021484
+Cc1c(O)cccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1176661252975464
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0210974216461182
+O=C(NCCc1ccccc1Cl)Nc1ccccc1Cl,-1.3625445365905762
+CCOc1ccc(CNc2ccc(F)cc2Br)cc1,-1.4453948736190796
+CN(C[C@@H](O)Cc1cccs1)C(=O)Cc1ccc(F)cc1,-1.4788050651550293
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0625864267349243
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517537713050842
+O=C(Nc1ccc(I)cc1F)c1ccc(-c2ccccc2)cc1,-1.0141726732254028
+O=C(Cc1cc2ccccc2o1)NCc1ccc(Cl)cc1,-1.3644964694976807
+COc1ccc(NC=O)cc1,-1.9343568086624146
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8737778663635254
+O=C(Nc1ccccc1I)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8426346778869629
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.3188658952713013
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1744358539581299
+Nc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.4552489519119263
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.299027442932129
+COc1ccc(CCNCc2ccc(F)cc2)cc1,-1.6104068756103516
+Fc1cc(NCc2ccc(-c3ccccc3)nc2)ccc1Cl,-1.134235143661499
+O=C(Nc1ccc(-c2ccccc2)nc1)c1ccc(F)cc1F,-0.9415059685707092
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9814062118530273
+Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)n[nH]1,-1.134692907333374
+Cc1cc(-c2ccc(F)cc2)ccc1NC(=O)c1ccccc1,-1.0903301239013672
+Cc1cccc2cc(C(=O)NCc3ccc(Br)cc3)sc12,-0.8573446273803711
+Nc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.4467782974243164
+O=C(Cc1cc(F)c(F)cc1F)NCc1ccc(Br)cc1,-0.8295959830284119
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.027314305305481
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.10233736038208
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1013813018798828
+O=C(Cc1ccc(F)cc1)NCC(=O)c1ccccc1,-1.5657051801681519
+c1ccc(-c2noc(COCc3cccs3)n2)cc1,-1.6377912759780884
+CC(CCc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1,-1.3328105211257935
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1,-1.1050286293029785
+Cc1ccccc1C(=O)NC1CCN(c2ccc([O-])cc2)CC1,-1.104878544807434
+C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCN1c1ccc(F)c(F)c1,-0.541130006313324
+COc1ccc(CNC(C)Cc2ccccc2)cc1,-1.6480416059494019
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1,-1.4704464673995972
+O=C(NCc1ccc(Br)c(F)c1)N1CCc2cn[nH]c2C1,-0.7005956172943115
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2378400564193726
+O=C(Nc1ccc(-c2ccon2)cc1)c1ccc2ccoc2c1,-1.2969157695770264
+CCCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2O)c1,-1.5639793872833252
+Cc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2n1,-0.4892563223838806
+O=C(N[C@@H]1C[C@H]2CCCC[NH+]2C1)c1ccn(-c2ccccc2)n1,-1.1907880306243896
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.187737226486206
+Fc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.5006319284439087
+O=C(NCC1CCCC1)c1ccc(Br)cc1Br,-1.1587655544281006
+Cc1ccccc1C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1,-1.1714333295822144
+Fc1ccc(NCc2ccc(Cl)cc2)c(N2CCCCC2)c1,-1.0146450996398926
+Cc1ccc(C(=O)N2CCC(C[NH+]3CC[C@@H]([NH3+])C3)CC2)s1,-1.1020280122756958
+Cc1cc(=N)[nH]c(C2CCCN2Cc2ccc3c(c2)OCCO3)n1,-0.7488218545913696
+Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.164438009262085
+O=C(C1CCOCC1)N1CCC(Oc2ccc(F)cc2F)CC1,-1.080159068107605
+Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3C)CC2)s1,-1.2104026079177856
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@@H](c3ccc(Br)cc3)C2)C1,-1.0484821796417236
+C[C@H](CCc1nc2ccccc2[nH]1)NC(=O)N1CCCC[C@@H]1C,-0.8985561728477478
+CN1CC[NH+](Cc2ccc(OC3CCC(F)CC3)cc2)CC1,-1.4070965051651
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248876810073853
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2364145517349243
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2O)CC1,-1.2324025630950928
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46406593918800354
+O=C(NCc1ccccc1)[C@H](c1ccccc1)C(F)(F)F,-1.4569494724273682
+CCOc1ccc(NC(=O)[C@H]2CC23CCC3)cc1,-1.679669976234436
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCCCC2)C1,-1.4380484819412231
+C[C@@H]1OCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H]1C,-1.1090261936187744
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4484120607376099
+NS(=O)(=O)c1cccc(CNCc2ccc(Br)cc2)c1,-1.4344240427017212
+CCOCC(=O)Nc1ccc(N2CCCC2=O)cc1,-1.6045355796813965
+Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1,-1.0285691022872925
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cn1,-1.035187005996704
+Cc1cccc(COC2CCN(c3ccc(O)cc3)CC2)c1,-1.467942476272583
+Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1F,-1.3285263776779175
+CN1CCN(c2ccc(NC(=O)c3ccccn3)cc2)C1=O,-1.1376656293869019
+O=C(NCc1ccc(I)cc1)Nc1ccccc1,-1.571992039680481
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1867297887802124
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166269779205322
+Oc1ccc(OCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.3349896669387817
+CC(C)(C)C(=O)Nc1ccc(-c2ccc3c(O)cccc3c2)cc1,-0.8833203911781311
+Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)s1,-1.0081130266189575
+Cc1nc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)cs1,-0.8466910123825073
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)O1,-1.5280683040618896
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0847387313842773
+O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1CC(F)(F)F,-0.8819079399108887
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1Cl,-0.8098571300506592
+Cc1ccc(CN2C(=O)CC[C@@H]2Cc2ccccc2)cc1,-1.5110024213790894
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4275559186935425
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(N)c1,-1.0711469650268555
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0811878442764282
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9653985500335693
+CC1(O)CCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1,-1.2140731811523438
+Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cn2)CC1,-0.8542956709861755
+O=C(Nc1ccc(-n2cncn2)cc1)c1ccc2[nH]ccc2c1,-1.0701977014541626
+O=C(N[C@H]1CCOC[C@H]1c1ccccc1F)c1ccc(F)cc1,-1.027461051940918
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.1431506872177124
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5500882863998413
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0354785919189453
+Cc1ccc(N)cc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0544582605361938
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718953609466553
+O=C(NCc1cccnc1)C(=O)Nc1ccccc1,-1.6422169208526611
+O=C(NC1CCN(c2ccccc2O)CC1)c1ccc(Cl)cc1,-1.0054954290390015
+O=C(Nc1cccc(I)c1)N1CCN(c2ccccc2F)CC1,-0.8669341206550598
+Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2788801193237305
+O=C(N[C@@H]1CCC(=O)N1C1CCCC1)c1ccc(Br)s1,-0.9300869107246399
+C[NH+]1CCN(c2cccc(C(=O)Nc3ccccc3O)c2)CC1,-1.308011531829834
+Cc1ncc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.2206779718399048
+Fc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl,-1.171343207359314
+C=C(Br)C(=O)NCc1cc(F)ccc1N1CCCCC1,-1.0540820360183716
+CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,-1.4960094690322876
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1760118007659912
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Br)cc1,-0.998732328414917
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-0.9955087304115295
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-0.9876248240470886
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653880596160889
+COc1ccc(OCC(=O)N2CCOC3(CCCCC3)C2)cc1,-1.5430669784545898
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000540494918823
+O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1,-1.4835091829299927
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2o1,-0.993899941444397
+O=C(NCc1ccc(Cl)cc1)N1CCc2ccc(F)cc21,-1.0015867948532104
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.948738157749176
+O=C(NC[C@@H]1CCCOC1)Nc1cccc(I)c1,-1.5206143856048584
+Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8900949954986572
+CCc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1095342636108398
+Cc1cc(N)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0503102540969849
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1951494216918945
+Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC(=O)N4)CC2)cc1,-0.9618785977363586
+Cc1cc(OCc2ccccc2)c(-c2ccccc2)cc1O,-1.367390513420105
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1511156558990479
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9698789715766907
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.961662769317627
+C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1,-1.4666171073913574
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.9015342593193054
+Cc1nc2cc(CNC(=O)c3ccc(F)cc3)ccc2o1,-1.085116982460022
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.2758580446243286
+O=C(Cc1nc2ccc(F)cc2[nH]1)NCc1ccccc1,-1.327648639678955
+Cc1ccc(NC(=O)NCC2CCOCC2)cn1,-1.6457668542861938
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5044686794281006
+O=C(Nc1ccccc1Br)c1ccc(-c2ccc(Br)cc2)cc1,-0.8585363030433655
+O=C(Nc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1,-1.4899137020111084
+O=C(Nc1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1,-0.9071922302246094
+C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.693390130996704
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(O)c1,-1.249998688697815
+Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cn1,-1.542575478553772
+C[NH+]1CC[C@H](CNC(=O)Nc2ccccc2F)C1,-1.5900015830993652
+C[C@@H]1CCC[NH+](C[C@H](O)CNC(=O)c2ccc(Cl)cc2)C1,-1.362734079360962
+C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1,-1.5243325233459473
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9934787154197693
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0861519575119019
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4151338338851929
+C[C@@H]1CN(c2ccc(C(=O)NCC(F)(F)F)cc2)CCO1,-1.1839758157730103
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.957973837852478
+CC1(C)CC[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1,-1.0647330284118652
+O=C(NCc1ccc(F)c(Br)c1)c1cn2ccccc2[nH+]1,-0.9442678093910217
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0269287824630737
+CCc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1,-1.34010910987854
+O=C1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1,-1.3335233926773071
+C[NH+]1CCC2(CCN(C(=O)NCC3CCOCC3)C2)CC1,-1.546034574508667
+O=C1CCC(NC(=O)N2CCC(c3ccccc3)CC2)CC1,-1.3367105722427368
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2167373895645142
+c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3122291564941406
+O=C(Nc1ccc(Cl)cc1)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1Cl,-0.7870404720306396
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6723811626434326
+C[C@@H](CC(=O)NCc1ccc(Cl)cn1)c1ccc(Br)cc1,-1.0729470252990723
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.1117300987243652
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2223821878433228
+O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9144545197486877
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.385468602180481
+CC[NH+]1CCC(O)(CNC(=O)c2ccco2)CC1,-1.7202428579330444
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1F,-1.0259366035461426
+Cc1cc(C(=O)N2CCN(c3ccc(N)cc3)CC2)c2ccccc2n1,-0.48337605595588684
+CC1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.3265148401260376
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125470161437988
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1F,-0.9290196895599365
+CCCOc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1,-1.5598223209381104
+Clc1ccc(NCc2ccc(Br)cc2N2CCOCC2)cc1,-1.0132418870925903
+CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(C)c2)CC1,-1.076141119003296
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.447535514831543
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0934783220291138
+O=C(Nc1ccc(Cl)cc1)N[C@H]1CCOC2(CCCC2)C1,-1.5218571424484253
+O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2143990993499756
+C[C@H]1CCCC[C@H]1[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9158440232276917
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.146897554397583
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9556237459182739
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4729031324386597
+O=C(Nc1ccc(O)cc1O)c1ccc(N2CCOCC2)cc1,-1.237301230430603
+CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1,-0.8200701475143433
+CCc1c(C(=O)NCc2ccccc2)cnn1C,-1.4233717918395996
+O=C(N[C@H]1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1F,-0.9808576107025146
+CC1CC[NH+](CCNC(=O)[C@@H](C)c2ccc(Cl)cc2)CC1,-1.2408735752105713
+CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)cc2)CC1,-1.035933256149292
+O=C(NCc1cccc(O)c1)c1ccc2c(c1)OCCO2,-1.4280141592025757
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.2362473011016846
+Cc1ccc(NC(=O)NC[C@@H]2CCCCO2)nc1,-1.6521790027618408
+CC(C)(C)[C@@H](O)CNC(=O)N[C@@H]1COc2ccccc2C1,-1.385913610458374
+Cc1ccc(CNC(=O)CCCc2ccc(Br)cc2)cn1,-1.3555091619491577
+C[NH+]1CCN(C(=O)c2ccc(OCC(C)(C)C)cc2)CC1,-1.4731781482696533
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1240648031234741
+CN(C(=O)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1,-1.0582692623138428
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485401272773743
+Cc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.3600258827209473
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9565555453300476
+Cc1ccc(CCCCN=C(O)C2CCCN2C(=O)c2ccccc2)cc1,-1.124136209487915
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5316694974899292
+O=C(Nc1ccc(O)nc1)N1CCO[C@H](c2ccccc2F)C1,-1.1276613473892212
+O=C(Nc1ccc(O)cc1O)c1ccc(-c2ccccc2)cc1,-1.2118470668792725
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.186557412147522
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1779733896255493
+O=C(C(=O)N1CCC2(CCCC2)C1)N1CCN(c2ccccc2)CC1,-1.1508712768554688
+O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.3014073371887207
+COc1ccc(C[NH+]2C[C@@H](C)C[C@H]2c2ccc(Cl)cc2)cc1,-1.2227120399475098
+CC(C)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1,-1.5320744514465332
+Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)no1,-1.1627793312072754
+Oc1cc(-c2ccccc2)nc(NCc2cccc(F)c2)n1,-1.0701173543930054
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3937324285507202
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.365453839302063
+CN1CCCCC1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9468023180961609
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.9869770407676697
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750826597213745
+CN(CC(=O)NCc1ccccc1Br)c1ccccc1,-1.4585978984832764
+C[C@]1(O)CCN(C(=O)Nc2ccc(N3CCCC3)cc2)C1,-1.5332057476043701
+CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.4861782789230347
+O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.1704463958740234
+COc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]C2)cc1,-1.5990421772003174
+Fc1ccc(C[NH+]2CCO[C@H](Cc3ccc(Cl)cc3)C2)cc1,-1.3034347295761108
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.0612868070602417
+Cc1ccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccco2)cc1,-1.5433763265609741
+O=C(N[C@H]1CCO[C@H]1C1CCCCC1)N1CC[NH+]2CCC[C@H]2C1,-1.1062824726104736
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.108447551727295
+O=C(NCc1ccc(Cl)cn1)N1CCC2(CCCO2)CC1,-1.3549880981445312
+O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9480351805686951
+CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)C1,-1.6476036310195923
+CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C)cc1,-1.608225703239441
+Cc1ccc([C@H]2COCCN2C(=O)Nc2ccccc2O)cc1,-1.2465689182281494
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-0.9978582262992859
+O=C(NCc1ccccc1)c1ccon1,-1.7872449159622192
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464763641357422
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9190980792045593
+O=C(CNc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2051794528961182
+O=C1C[C@@H](NCc2ccccc2)CN1c1ccc(Cl)cc1,-1.28157639503479
+CN(CCc1cccc(Br)c1)C(=O)CC1CC[NH+](C)CC1,-1.2248108386993408
+Cc1ccc(NC(=O)c2ccc(CC(F)(F)F)cc2)cn1,-1.2374374866485596
+C[C@H]1CCC[C@H](NC(=O)N[C@@H]2CCOCC3(CCOCC3)C2)C1,-1.5186549425125122
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9772323369979858
+O=C(c1ccn(Cc2ccccc2)n1)N1CCc2ccccc21,-1.0981507301330566
+CC(C)CNC(=O)c1ccc(N2CC(C)OC(C)C2)cc1,-1.280424952507019
+C[NH+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)C)CC2)C1,-1.3347922563552856
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n[nH]1,-1.110996961593628
+CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0134390592575073
+O=C(N[C@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1F,-0.9911497235298157
+CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)C1,-1.145394206047058
+C[NH+]1CCN(c2ccc(NCc3ccc(I)cc3)cc2)CC1,-1.1653611660003662
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1950576305389404
+O=C(c1ccccc1)N1CCN(Cc2cc(F)ccc2Cl)CC1,-0.9446421265602112
+C[C@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.2672042846679688
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ncc1F,-0.9970200061798096
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5061187744140625
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.9087866544723511
+C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1,-1.1400166749954224
+CC1CC[NH+](C2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)CC1,-0.8098529577255249
+C[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-0.9750798940658569
+Nc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1,-1.180223822593689
+O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-c2ccccc2)cc1,-1.339382290840149
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9747226238250732
+COC(=O)CNC(=O)c1cc(-c2ccccc2)[nH]n1,-1.5746374130249023
+CC(C)(C)[S+]([O-])CCCNC(=O)Nc1ccc(Br)cc1,-1.2420127391815186
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2O)CC1,-1.1083999872207642
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095359086990356
+Nc1cccc(OC2CCN(C(=O)C3CCCCCC3)CC2)c1,-1.3362782001495361
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1896287202835083
+O=C1CCCCN1[C@H]1CCCN1C(=O)Nc1ccc(O)cc1,-1.20551598072052
+NC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1,-1.1157493591308594
+C[NH+]1CCN(C2CC(NC(=O)c3ccc(F)cc3)C2)CC1,-1.1269280910491943
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.1086608171463013
+CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4749387502670288
+Oc1ccc(CSc2cc(-c3ccccc3)nc(O)n2)cc1,-1.0668809413909912
+C[C@H]1CC[NH+](Cc2ccccc2Oc2ccccc2)C[C@@H]1O,-1.5346187353134155
+O=C(NC1CCCCC1)c1cnc(-c2ccc3nc[nH]c3c2)s1,-0.7328597903251648
+Cc1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)no1,-1.1126691102981567
+Cc1cc(CNC(=O)c2ccc3[nH]ncc3c2)ccc1F,-0.9581403732299805
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846178531646729
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)cn1,-0.9314777851104736
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.141176700592041
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9023154377937317
+[NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.914225697517395
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1084697246551514
+O=C(CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1,-1.3420313596725464
+C[C@H]1C[NH+](C)CC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1199078559875488
+O=C(C[NH+]1CCOCC1)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.4030650854110718
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4444981813430786
+O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5884506106376648
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2cnccc2o1,-1.2989662885665894
+CCNC(=O)Nc1nnc(-c2ccc(Br)cc2)s1,-1.0354186296463013
+O=C(NCc1ccc(Cl)cn1)N1CCC2(CCCCC2)C1,-1.2660138607025146
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1,-1.1832365989685059
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2033337354660034
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1F)c1ccc(F)cc1,-0.9111258387565613
+Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc1,-1.0277507305145264
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.2190192937850952
+C[NH+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCCC2,-0.8611682057380676
+O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2519629001617432
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9568827748298645
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1cccc(Br)c1,-0.9207606315612793
+O=C(c1ccc(F)cc1)N1CCC[C@H](C(O)=NCc2ccccc2)C1,-1.0843545198440552
+Cc1cc(CNC(=O)c2cc3ccccc3s2)ccc1F,-0.9499140381813049
+CC1(C)CC(CNC(=O)c2ccc3c(c2)OCO3)C1,-1.4947576522827148
+CC(=O)OCc1ccccc1OC1CCCCC1,-1.6822808980941772
+O=C(Nc1ccc(F)cc1)N1CCOC[C@H]1c1ccccc1Cl,-1.004082441329956
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2s1,-0.875267505645752
+O=C(Nc1ncccc1O)N1CCC(c2ccc(F)cc2)CC1,-0.9646822810173035
+O=C(NCc1ccc(O)cc1)c1ccc2nc(O)oc2c1,-1.3747432231903076
+O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8867073655128479
+O=C1c2ccccc2OCC(c2ccc(Cl)cc2)N1Cc1ccccc1,-0.7750267386436462
+CN(C(=O)[C@H]1CCCC[C@@H]1c1ccc(F)cc1)C1CCOCC1,-0.9966069459915161
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2279326915740967
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ncccc1F,-0.8983085751533508
+O=C(c1ccc(I)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9022086262702942
+O=C(NCc1ccc(F)cc1)N1CCC2(CCCO2)CC1,-1.5355095863342285
+CC(C)(C)C(=O)N1CCN(C(=O)c2c(F)cc(F)cc2F)CC1,-0.4204777181148529
+O=C(Nc1ccc(Br)cc1)C1(c2ccc(F)cc2)CCC1,-1.2615399360656738
+O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCCC2,-1.1518309116363525
+CCC(C)(O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5815622806549072
+COc1ccc(CNCCc2ccc(Cl)cc2)cc1,-1.5746593475341797
+O=C(c1ccccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.014103651046753
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9541689157485962
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-0.9877535104751587
+CN1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.1986210346221924
+Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3755196332931519
+Cc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)c(C)c1,-1.0819029808044434
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9747286438941956
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3474023342132568
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.1542829275131226
+C[C@H]1CN(C)CC[NH+]1CCC(=O)NCc1ccc(Br)cc1,-1.2242854833602905
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0820095539093018
+CC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.6835204362869263
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1,-0.9709063172340393
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9539428949356079
+Oc1c(I)cc(NCc2ccccc2)cc1-c1ccccc1,-1.114937424659729
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0985292196273804
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9793449640274048
+Nc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9903200268745422
+Cn1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)cn1,-1.1646828651428223
+Fc1ccc(-c2cnc(NCc3ccc(Br)cc3)nc2)cc1,-0.9050639271736145
+CCc1ccc(C(=O)NCc2nnc(C)s2)cc1,-1.1806293725967407
+Cc1ccc([C@@H]2CC[NH+](CC(=O)Nc3cccs3)C2)cc1,-1.4697320461273193
+Cc1cccc(CNC(=O)C[NH+]2CCOc3ccccc3C2)c1,-1.3911511898040771
+Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cn1,-0.8625030517578125
+Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)no1,-1.1673592329025269
+O=C1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)C1,-1.3196401596069336
+COCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1,-1.5558454990386963
+O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5395939350128174
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.012209415435791
+O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1,-1.3197808265686035
+O=C(CN1CCCC1=O)N1CC[NH+](Cc2ccccc2)CC1,-1.5026373863220215
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636567115783691
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(N)cc2)CC1,-1.086692214012146
+N#Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1,-1.4821029901504517
+CC(C)C(O)=NCc1ccc(OCc2ccccc2)cc1,-1.56199312210083
+CC(=O)CN1CCC(C)(NCc2ccc(C)cc2)C1,-1.6027605533599854
+Cc1cc(NC(=O)c2ccc([NH3+])cc2)n(C2CCCC2)n1,-1.0992586612701416
+OC(CNc1ccccc1)=NCc1ccc(-n2cccn2)cc1,-1.5000042915344238
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0158048868179321
+O=C(NCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1,-0.9357743263244629
+CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.3798530101776123
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-1.0068033933639526
+C[NH+]1CCC(C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1,-1.0365452766418457
+Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.0794132947921753
+O=C(N[C@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.1399106979370117
+CCC[NH+]1CCN(C(=O)Nc2ccc(OC)cc2)CC1,-1.5713114738464355
+Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(Cl)c1,-1.0301026105880737
+COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.4450840950012207
+NC(=O)CCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5511375665664673
+Fc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Br,-1.088582158088684
+O=C(CC1CCCCCC1)NC1CCN(c2ccccc2)CC1,-1.4898089170455933
+C[NH+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1,-0.8686425089836121
+Cc1cc(NC(=O)NC2CC3(CCC3)C2)ccc1Br,-1.258405327796936
+O=C(Cc1ccccc1F)N[C@H]1CCCN(c2ccccc2)C1,-1.267562747001648
+Fc1ccc(C[NH+]2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2433332204818726
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0295038223266602
+O=CNCC1CCCCC1,-1.9952402114868164
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2893985509872437
+Cc1cc(CNC(=O)Cc2ccn(C)n2)ccc1Br,-1.1443121433258057
+CC(=O)Oc1ccc(COc2ccccc2)cc1,-1.7080888748168945
+Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(Br)c1C,-0.708251416683197
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.341237187385559
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1,-1.217668056488037
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(N2CCCCC2)cc1,-1.0091899633407593
+O=C(NCc1cccc(Cl)c1)N[C@@H]1CCc2ccccc21,-1.1747150421142578
+Cc1ccc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)sc2c1,-0.9784854650497437
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.2266424894332886
+CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccccc1,-1.3912922143936157
+COc1ccc(CNC(=O)C2(Br)CCCC2)cc1,-1.5413864850997925
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4418658018112183
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2s1,-0.9731820821762085
+c1ccc(N2CC[NH+](Cc3ncnn3-c3ccccc3)CC2)cc1,-1.1743820905685425
+Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3394274711608887
+Cc1cc(C(=O)N[C@H]2CCC[C@@H](c3cnn(C)c3)C2)no1,-1.0934115648269653
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.2692476511001587
+O=C(N[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1,-1.5324251651763916
+CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1,-0.8366180062294006
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(C)c2)C1,-0.9770464897155762
+Cc1ccc(F)cc1C(=O)Nc1ccccc1N1CC[NH2+]CC1,-0.9644677639007568
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9307535290718079
+Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3491239547729492
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cnccc2[nH]1,-0.9606743454933167
+Cc1ccnn1CC[NH+]1CCN(C(=O)c2ccccc2F)CC1,-0.9594083428382874
+Cc1ccc(-c2nnc(CNc3ccc(F)cc3)n2C)cc1,-0.8305333852767944
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4849001169204712
+CC(C)(O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.312045931816101
+C[NH+]1CCN(c2cccc(C(=O)Nc3ccccc3O)c2)CC1,-1.1855639219284058
+COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1,-1.1623480319976807
+CC1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.20392644405365
+C[C@@H]1CN(C(=O)NCCCc2cccc(Br)c2)C[C@@H](C)O1,-1.3776891231536865
+c1ccc(-c2nc(CNCc3cccs3)no2)cc1,-1.5565446615219116
+Cc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.4108593463897705
+CC1(O)CN(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1,-1.582855463027954
+O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@](O)(Cc2ccc(F)cc2)C1,-1.4858133792877197
+Cc1ccccc1C(=O)N1CCN(C)CC1,-1.6684460639953613
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.077688217163086
+C[NH+]1CC[C@](C)(CNC(=O)c2ccc(Cl)c(F)c2)C1,-1.101475715637207
+Cc1nnc(-c2ccccc2)c(NCc2ccc(N)cc2)n1,-0.8791901469230652
+O=C(Cc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1F,-1.0728871822357178
+C[NH+]1CCC[C@H](C(=O)N2CCC(Oc3ccccc3)CC2)CC1,-1.4432531595230103
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0041338205337524
+Cc1ccc(C(=O)NC[C@@](C)(O)C2CCOCC2)c(C)c1,-1.4682540893554688
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1cccc(I)c1,-0.9441644549369812
+Clc1ccc(C[NH+]2CCc3cnc(NC4CC4)nc3C2)cc1,-0.6938583254814148
+O=C(Cc1ccc(I)cc1)NCc1nc2ccccc2[nH]1,-1.0432237386703491
+Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8723346590995789
+Cc1ccc(-c2ccc(I)cc2NCc2ccccc2)cc1,-1.2430768013000488
+N#Cc1cc(F)ccc1C(=O)NCc1nc2ccccc2s1,-0.7928702235221863
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617062211036682
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(O)cc1,-1.0094797611236572
+O=C(N[C@@H]1CCO[C@H](c2ccc(Br)cc2)C1)c1ncccc1F,-0.9780720472335815
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4826287031173706
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.0675923824310303
+CN1CC[C@H](NC(=O)c2ccccc2-c2ccccc2)C1=O,-1.1517322063446045
+C[C@H]1CN(C(=O)Nc2ccccc2N2CCOCC2)CCCO1,-1.5164369344711304
+O=C(NC1CCCC1)C(=O)N1CCC[C@H](c2ccccc2)C1,-1.5186209678649902
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.3518747091293335
+Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Br,-1.1175094842910767
+NC(=O)c1ccc(-c2ccccc2)cc1,-1.7239195108413696
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1Br,-1.0088220834732056
+Cc1cc(C[C@@H](O)CNC(=O)c2ccccc2)ccc1F,-1.4176628589630127
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1906214952468872
+CC(C)N=C(O)C(C)N=C(O)COc1ccc(-c2ccccc2)cc1,-1.34565269947052
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0339303016662598
+Cc1ccc(C(=O)NCCc2ccc(F)c(F)c2)c(C)n1,-0.8353658318519592
+CN1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.6104540824890137
+CC(C)(C)C(Cc1ccccc1)NC(=O)c1ccccc1,-1.5921268463134766
+CCOc1ccc(NC(=O)c2cc(Cl)[nH]n2)cc1,-1.4480160474777222
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0900630950927734
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.026431679725647
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9409283399581909
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.350100040435791
+O=C(c1ncccc1O)N1CCC[C@@H](Cc2ccc(Cl)cc2)C1,-0.9491780400276184
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3674956560134888
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9183258414268494
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2o1,-1.021912693977356
+CCOc1ccc(NC(=O)c2cc(C)cs2)cc1,-1.593000888824463
+O=C(NCc1ccccn1)Nc1ccc(Br)cc1,-1.5857387781143188
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9772046208381653
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1837971210479736
+CC[C@H]1CCCN(C(=O)NCc2coc(C)n2)C1,-1.560396432876587
+O=C(NCc1ccc(Br)s1)Nc1ccccc1O,-1.4491662979125977
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(I)c1,-1.0107969045639038
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1940089464187622
+C[NH+]1CCC[C@H](NC(=O)c2ccc(CC(C)(C)O)cc2)C1,-1.5240849256515503
+Cc1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.9079928398132324
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1csc(-c2ccccc2)n1,-0.9054825305938721
+CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1181786060333252
+O=C1CC(NCc2ccccc2)CN1c1ccc(Br)cc1,-1.2625417709350586
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1666476726531982
+O=C(NCc1ccc(F)c(F)c1)N1CCN2CCCC2C1,-0.8773009777069092
+CC1(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CCCC1,-1.3785151243209839
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.3100799322128296
+O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2)CN1c1ccccc1,-1.3100160360336304
+C[NH+]1CCC(NC(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.0236423015594482
+Cc1ccccc1CNC(=O)c1cc2c(s1)C(C)CCC2,-0.8566527962684631
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.139334797859192
+COC(=O)c1cccc(C(=O)Nc2ccccc2)c1,-1.6130768060684204
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Br)cc2)CC1,-0.8388607501983643
+Cn1cc(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0404750108718872
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9438977837562561
+C[NH+]1CC[C@@H]2C[C@H](CNC(=O)c3cccc(F)c3)O[C@H]2C1,-1.208186388015747
+C[NH+]1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2Cl)C1,-0.859527051448822
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382910013198853
+Cc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1N,-1.1454298496246338
+O=C(C1CC[S+]([O-])CC1)N1CCN(Cc2ccccc2)CC1,-1.33622407913208
+CC(C)C1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0063306093215942
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0487143993377686
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(I)c1,-1.0881999731063843
+CC(C)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.1521596908569336
+CC(C)C[NH+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2771013975143433
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.050218105316162
+CC[NH+]1CCN(C(=O)Cc2ccc(C3CCOCC3)cc2)CC1,-1.3936506509780884
+Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC2)cc1,-1.0944857597351074
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0834934711456299
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](F)C1,-1.2618296146392822
+CC(C)(O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1,-1.4744714498519897
+NCCCOc1ccc(C(=O)Nc2ccccc2)cc1,-1.671714425086975
+CC(C)C(O)=Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1,-0.9548841118812561
+O=C(NCc1ccccn1)Nc1ccc(O)cc1,-1.6544517278671265
+CC(C)(C)CC(=O)Nc1ccc(-c2nnc3ccc(Cl)cn23)cc1,-0.6028705835342407
+O=C(Nc1ccccc1F)N1CCN(c2ccc(I)cc2)CC1,-0.8656414151191711
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4311339855194092
+O=C(c1cccc(F)c1Cl)N1CCN(Cc2ccccc2)CC1,-1.0162543058395386
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0635793209075928
+Cc1cc(CNC(=O)N2CCC(C=O)CC2)ccc1Cl,-1.294589638710022
+O=C(Cc1ccc(N2CCOCC2)cc1)Nc1cccc(F)c1,-1.4019109010696411
+CC(C)(C)c1ccc(NC(=O)N2CCNC[C@H](O)C2)cc1,-1.3353968858718872
+[NH+]#CCN=C(O)COC1CCN(Cc2ccc(F)cc2)CC1,-1.4928593635559082
+CCNC(=O)c1ccc(C[NH+]2CC[C@H](F)C2)cc1,-1.6295095682144165
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1451921463012695
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3685075044631958
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0777535438537598
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4040166139602661
+Cc1ncc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-0.8703060746192932
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.904870331287384
+Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2O)cn1,-1.5995804071426392
+CC1(O)CCC(C)(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0401592254638672
+O=C(Nc1ccc2[nH]ccc2c1)c1cn[nH]c1-c1ccccc1,-1.0570884943008423
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.1146663427352905
+O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1,-1.2309950590133667
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-1.1510837078094482
+O=C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1,-1.3333721160888672
+Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2Cl)cc1,-0.9475125670433044
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0152456760406494
+O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2ccccc2)CC1,-0.9396341443061829
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.6316823959350586
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844264507293701
+O=C(Nc1ccc(Br)cc1)NC1CCC(C2CCC2)CC1,-1.0945351123809814
+Cc1nc(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)cs1,-1.3916159868240356
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3114204406738281
+C[NH+]1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.2601518630981445
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0503848791122437
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.069777011871338
+C[NH+]1CCC(NC(=O)c2cc(Br)ccc2OC(F)F)CC1,-0.9914008378982544
+CCC1CCN(C(=O)NCc2noc(C)n2)CC1,-1.3769773244857788
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)o1,-0.8328536748886108
+O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)cc1,-1.0500082969665527
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.029433250427246
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.1312000751495361
+O=C(Nc1ccc(O)cc1)N1CCCC[C@@H]([NH+]2CCOCC2)C1,-1.4362372159957886
+Cc1cc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)no1,-1.012757420539856
+Cc1ccc(N2CC[C@H](NC(=O)C3CCCCC3)C2=O)cc1,-1.1245554685592651
+CC(C)c1ccc(C(=O)N[C@@H]2CCC3(CCCC3)C2)cc1,-1.3553314208984375
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@@H]1C1CC1,-1.0520901679992676
+CCCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1,-1.2572541236877441
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nn1,-1.0435489416122437
+O=C(Nc1nnc2n1CCCC2)N1CCC[C@@H]1c1ccccc1,-0.8245757222175598
+C[NH+]1CCN(CCCNC(=O)C2CCC(C)(C)CC2)CC1,-1.5057555437088013
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975732326507568
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0122203826904297
+C[NH+]1CCC[C@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.441876769065857
+O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,-0.731738269329071
+Cn1ccc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)n1,-1.4934866428375244
+COc1ccc(F)c(NC(=O)Cc2ccc(Cl)cc2O)c1,-1.0053163766860962
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0864359140396118
+CC(C)(C)CC(=O)c1cccc(OCc2ccccc2)c1,-1.5629310607910156
+O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)C1CCCCC1,-0.7307908535003662
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0708203315734863
+Nc1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1,-0.5928182005882263
+O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-0.9033656716346741
+O=C(Nc1ccc(I)cc1)c1ccccc1F,-1.3749048709869385
+CC1=CO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1,-1.1845097541809082
+Cc1ccc(-c2cc(C)on2)cc1,-1.776949405670166
+Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.157936692237854
+O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2[nH]1,-0.8916999101638794
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.170044183731079
+O=C(NCc1ccccc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21,-1.2402628660202026
+Cn1cc(NCCc2ccc(Br)cc2)c(-c2ccccc2)n1,-1.0882346630096436
+O=C(CCc1ccncc1)N1CC[NH+](Cc2ccccc2)CC1,-1.558401346206665
+O=C(Nc1ccc(F)cc1O)N1CCC[C@H](c2ccccc2)C1,-1.0774800777435303
+O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)N1,-1.5890744924545288
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9761435985565186
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(O)cc1)N1CCCCCC1,-1.4178216457366943
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0672978162765503
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.25344717502594
+Cc1cc(O)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-1.120462417602539
+CCOc1ccc(C[NH+]2CCO[C@]3(CCO[C@H](C)C3)C2)cc1,-1.574345350265503
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0768564939498901
+Cc1nc2c(C(=O)NCc3ccc(F)cc3)cccc2s1,-0.8155251741409302
+O=C(NCC1CC1)N1CCC[C@H]1c1ccccc1,-1.6592810153961182
+Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1,-0.9734291434288025
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5320298671722412
+C[C@@H]1CCC[NH+]([C@@H](C)C(=O)NCc2ccc(Br)cc2)CC1,-1.1904244422912598
+N#Cc1ccc(CNCC(O)Cc2ccc(Cl)cc2)cc1,-1.4664520025253296
+Nc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(F)c1,-1.0422958135604858
+CC[NH+]1CCC([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-1.0997602939605713
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc(NCC)cc1,-1.3979443311691284
+CC1CC(N)CN(c2ccc(OCc3ccccc3)cc2)C1,-1.3406274318695068
+COc1ccc(CN)cc1,-1.9505926370620728
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.5307831764221191
+O=C(Nc1cccc(N2CCCCCCC2=O)c1)c1ccccc1,-1.3101359605789185
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0069161653518677
+N[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1,-1.4878182411193848
+C[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-0.9581021666526794
+O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(CC(F)(F)F)cc1,-1.020704984664917
+O=C(Nc1ccc(Cl)c(-c2ccccc2)c1)c1ccccc1O,-1.0285696983337402
+O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](Cc2ccccc2)C1,-1.2025846242904663
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0604255199432373
+Cc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1,-1.1473487615585327
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898438453674316
+CC1(C)[NH2+]CCC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2005937099456787
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0302821397781372
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1932810544967651
+C[NH+]1C[C@@H]2CCN(C(=O)NCc3ccc(Cl)cc3)C[C@H]2C1,-1.0033735036849976
+Cc1nc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1,-1.051245927810669
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Br)cc1,-0.9516140222549438
+O=C(Nc1ccc(F)nc1)c1ccc(N2CCCC2=O)cc1,-1.1298861503601074
+O=C(NCc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1,-0.9074220657348633
+C[NH+]1CC[C@@]2(CN(C(=O)NCC3CCCCC3)CCO2)C1,-1.619645118713379
+Fc1ccc(-c2ccc(CNc3ccc(I)cc3)cc2)cc1,-1.101016640663147
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.1482460498809814
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9721581339836121
+Cc1ccc(C[C@H]2CCCN(Cc3ccc(I)cc3)C2)cc1,-1.2074271440505981
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0294890403747559
+CC1(O)CC[C@H](NC(=O)c2ccc(N3CCCC3)cc2)C1,-1.5212079286575317
+COc1ccc(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.8782628178596497
+c1ccc(Cc2noc([C@@H]3CCCN(c4ccccc4)C3)n2)cc1,-1.2126537561416626
+COc1ccc(CNC(=O)C2CCC(C)C2)cc1,-1.6124820709228516
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748177528381348
+Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1033296585083008
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.697717308998108
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Br,-0.7962779402732849
+Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)cc1,-1.4002511501312256
+O=C(NCc1ccc(F)nc1)N1CCOC2(CCCC2)C1,-1.5090280771255493
+Cn1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)cn1,-1.2876579761505127
+Cc1ccc(CNS(=O)(=O)C2=CC(=O)c3ccccc32)cc1,-1.226020336151123
+Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cc2s1,-0.9770635366439819
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1Cl,-0.9908278584480286
+O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.480636715888977
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9695547223091125
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-0.9085248112678528
+O=C(CCc1ccccc1)Nc1ccc(N2CCNCC2)cc1,-1.4978440999984741
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9426838755607605
+CCO[C@@H](C)C(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1,-1.6399091482162476
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689521193504333
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8921263217926025
+Cc1ccc(CNC(=O)N2CCc3nn(C)cc3C2)cc1,-1.008542537689209
+C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1,-1.33790123462677
+COc1ccc(N2CCN(C(=O)c3ccc(F)cn3)CC2)cc1,-1.0981838703155518
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.932716429233551
+Nc1ccc(NC(=O)N[C@H]2CCCC3(CCCC3)C2)cc1,-1.5307759046554565
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9669972062110901
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8979300260543823
+CC(C(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1F,-0.9001478552818298
+COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9902893900871277
+Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.3134400844573975
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.123362421989441
+O=C(Nc1cccs1)N1CCC(c2nc3ccccc3[nH]2)CC1,-1.0130927562713623
+O=C(Nc1ccccc1Br)c1ccc(-c2ccc(Cl)cc2)nc1,-0.7892849445343018
+c1ccc(C[NH+]2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.38999605178833
+CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,-1.3653576374053955
+Fc1ccc(-c2noc(COc3ccc(F)cc3Br)n2)cc1,-0.8195827603340149
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.9027310609817505
+O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc(F)c1,-1.1382542848587036
+Clc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.292710542678833
+CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0956188440322876
+Fc1ccc(N2CCCCC2)c(F)c1,-1.5644638538360596
+O=C(Cc1ccc(Cl)cc1)NCc1cccc2[nH]ccc12,-1.19086492061615
+CC(C)c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1,-1.3914090394973755
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.020918846130371
+C[C@H]1C[NH2+]CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3359143733978271
+Cc1ncsc1CNC(=O)Nc1ccc(O)cc1,-1.4388096332550049
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1081547737121582
+CN1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.2478721141815186
+C[C@@H](CC(=O)NCc1ccc(F)c(Cl)c1)c1ccccc1,-1.168524146080017
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095367431640625
+O=C(NCCOc1ccc(Br)cc1)[C@@H]1CCSC1,-1.5109645128250122
+Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2720911502838135
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9872958064079285
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1282241344451904
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-0.8391216993331909
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2F)CC1,-1.116285800933838
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9038772583007812
+Cc1ccc(CNc2nccnc2-c2ccc(Cl)cc2)cc1,-1.046221375465393
+Cc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1F,-1.4540427923202515
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.335035800933838
+C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCS1,-1.2867008447647095
+Clc1ccc(CNc2ccccc2N2CCOCC2)cc1Cl,-0.9944398403167725
+CC1(C)CC[NH+](CC(=O)NCc2ccc(Cl)cc2)C1,-1.5505352020263672
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1357380151748657
+CC(C)[NH+]1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1,-1.0363537073135376
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254799246788025
+CN(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.10175621509552
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2ccc(O)cc2)s1,-1.23324453830719
+Cc1cccc(CNC(=O)N2CCCC3(CCCC3)C2)n1,-1.3878637552261353
+C[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1464215517044067
+O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2F)CC1,-0.9740394949913025
+Cc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.3269634246826172
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9971188902854919
+O=C(Cc1cccs1)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-1.2872813940048218
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2126944065093994
+CN1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-0.9590476751327515
+CCN1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.0097161531448364
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2[nH]1,-0.939065158367157
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4339104890823364
+C[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3176531791687012
+CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)N3)cc1,-1.1356538534164429
+Cc1cccc(NC(=O)C(O)=Nc2cccnc2-c2ccccc2)c1,-1.0574663877487183
+Cc1cc(F)ccc1NC(=O)c1ccccc1N1CCOCC1,-1.1684081554412842
+C[C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.143660068511963
+CC(C)[C@H](C(=O)NC[C@H]1CCCCO1)c1ccc(Cl)cc1,-1.2504554986953735
+Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5757967233657837
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9630262851715088
+C[C@H]1CCC[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1,-1.2429627180099487
+O=C(CCCc1ccc(F)cc1)NCc1cccc(Br)c1,-1.3965471982955933
+CC1(C)CC[C@H]1C(=O)Nc1ccn(-c2cccc(Br)c2)n1,-0.9317522644996643
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700021982192993
+Cc1ccc(N(C)C(=O)[C@@H]2CCCN(c3ccccc3)C2)cc1,-1.1380778551101685
+CC1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.1390719413757324
+Cc1cc([O-])ccc1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1,-1.0950840711593628
+Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)o1,-1.2359669208526611
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC12CCCCC2,-1.4028195142745972
+C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1cccc(Cl)c1,-1.0606324672698975
+Cc1cc(O)ccc1C(=O)N[C@H]1CCC[C@@H]([NH+]2CCCCC2)C1,-1.1626704931259155
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Cl)cc1)C2,-0.6536274552345276
+CC1(C)C[C@H](CN2CC[NH+](Cc3ccccc3)CC2)CCO1,-1.568770170211792
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3678454160690308
+COC(=O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1,-1.6154621839523315
+CC(C)N1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0637060403823853
+CC1(O)CCN(C(=O)c2cc[nH]c2Cc2ccccc2)C1,-1.5788516998291016
+O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1,-1.3516120910644531
+Cc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.9027378559112549
+CN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21,-0.5275096297264099
+CN1CC[NH+](C2CCN(C(=O)Nc3ccccc3F)CC2)CC1,-1.0631160736083984
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[C@H]1O,-1.12619149684906
+O=C(C[NH+]1CCC2(CCOCC2)C1)NCc1ccccc1,-1.6386820077896118
+O=C(c1ccccc1)N1CCC(Nc2ccc(F)cc2F)CC1,-0.9529691934585571
+Fc1cccc(CNc2ncc(Br)cc2-c2ccccc2)c1,-1.0230098962783813
+CC(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1,-1.5112684965133667
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9342591762542725
+Cc1nc(-c2ccc(NC(=O)Cc3ccco3)cc2)no1,-1.4566775560379028
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5320261716842651
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.8690872192382812
+CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9604037404060364
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903871178627014
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.2381892204284668
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1Br,-0.9040341973304749
+C[C@H]1CCC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1,-1.047993540763855
+CN1CCN(c2ccc(CNc3cccc(Br)c3)cc2)CC1,-1.2390003204345703
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.921339750289917
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-0.9470572471618652
+O=C(NC1C[NH+](CCC2CCCCC2)C1)C1CC1,-1.6234210729599
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1O,-1.1281297206878662
+CC1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1,-1.4318782091140747
+O=C(Nc1ccc(F)cc1)c1cccc(-c2ccccc2Cl)c1,-0.9662174582481384
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5394896268844604
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1572265625
+Cc1ccc(C(=O)CNC(=O)c2ccc(O)cc2)cc1,-1.5811325311660767
+O=C(Nc1cc(I)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.8533304929733276
+O=C(CNC1CCCCC1)NCC1CCCCC1,-1.6826894283294678
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0073938369750977
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)n1,-1.0717077255249023
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5063183307647705
+O=C(c1cc2ccccc2nc1O)N1CCN(c2cccc(F)c2)CC1,-0.5409209728240967
+O=C1CC(NCc2ccc(F)cc2)CN1c1ccccc1,-1.3734135627746582
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3007428646087646
+O=C(Nc1ccc(CCCO)cc1)c1ccc2c(c1)OCCO2,-1.4746307134628296
+CCC(=O)N1CCN(Cc2ccc(N3CCSCC3)cc2)CC1,-1.1497244834899902
+O=C(CCc1ccc(F)c(F)c1)Nc1ccc2c(c1)CCC2=O,-0.9209444522857666
+C[C@@H]1CCC[C@H](CC(=O)NC[C@H]2C[C@H]2C2CCOCC2)C1,-1.4442663192749023
+Cc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccc(Cl)cc1,-0.5743108987808228
+CCOc1ccc(C(=O)Nc2cc(C)[nH]n2)cc1,-1.6015733480453491
+CCC(C)N=C(O)C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1,-1.0861139297485352
+O=C(N[C@H]1CCc2nncn2C1)c1csc(-c2ccccc2)n1,-0.7898159623146057
+O=C(c1ccc(I)cc1)N1CCNCC1,-1.5251307487487793
+Cc1nc2ccc(NC(=O)CCOc3ccccc3Cl)cc2s1,-0.8373110294342041
+CCc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.2016369104385376
+CCc1ncc(C(=O)NCc2ccc(Br)cc2)s1,-1.2596362829208374
+O=C(N[C@H]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-0.998186469078064
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0869046449661255
+CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.5364885330200195
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.7274576425552368
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9962422251701355
+C[NH+]1CCN(c2ccc(Br)cn2)CC1,-1.539433479309082
+c1ccc(-c2noc(-c3ccc(CN4CCCCC4)cc3)n2)cc1,-1.2176867723464966
+Cc1cc(C(=O)NCc2ccc(F)cc2F)c(F)cc1Cl,-0.46664804220199585
+Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1146003007888794
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2,-1.046879768371582
+CC(C)(C)[NH+]1CCC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1,-0.7384965419769287
+Cc1ccccc1NC(=O)NC[C@@H]1CC[NH+](C)C1,-1.6156327724456787
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)o3)C2)cc1,-1.3280513286590576
+C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.0034672021865845
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.512997031211853
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2194526195526123
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2610442638397217
+O=C(C[NH+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1,-0.9902960062026978
+O=C(c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1,-1.3461700677871704
+CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C2)CC1,-1.5965209007263184
+CCc1ccc(CCC(=O)Nc2cc(F)ccc2C)cc1,-1.301501750946045
+Nc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0859320163726807
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9125248193740845
+Cc1ccc(C(=O)NC2CCN(CC(C)(C)C)CC2)cc1,-1.3713668584823608
+O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1F,-0.8827753663063049
+O=C(NCc1ccc2c(c1)CCC2)c1ccc(F)cc1O,-1.1475026607513428
+CC(C)C(=O)N1CCC(NC(=O)c2cc(F)ccc2Cl)CC1,-0.6911081671714783
+C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.4129157066345215
+CC(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.1169675588607788
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.484597086906433
+C[C@H]1CCC[C@H]1[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.597588062286377
+O=C(Nc1cccc(O)c1)C1CCN(CC(F)(F)F)CC1,-1.1989388465881348
+CC1CN(Cc2ccc(OC(C)(C)C)cc2)CCN1C,-1.579658031463623
+C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,-1.1084853410720825
+C[NH+]1CCN(CC(=O)NCCc2cccc3ccccc23)CC1,-1.434964895248413
+O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-0.9854031205177307
+O=C(NCc1cccc(F)c1)c1cc2ccc(F)cc2s1,-1.0264381170272827
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390519380569458
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.301067590713501
+CC(C)(C)CC(=O)c1cccc(OCc2ccccc2)c1,-1.5659035444259644
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(OCCF)cc1,-1.5434606075286865
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1132559776306152
+O=C(Nc1cccc(-c2ncccn2)c1)c1ccc(F)cc1F,-0.8452115654945374
+O=C(COc1ccccc1)NCc1ccccc1,-1.7470520734786987
+CCCCCCCCCCCCCCCCCCCCCOc1ccc(CCCCCCCCC)cc1,-1.459622859954834
+CN1C[C@H](CNC(=O)CCc2ccccc2Cl)CC1=O,-1.2682048082351685
+C[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCC2,-1.3262451887130737
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4608382284641266
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8930583000183105
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2732267379760742
+CC1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)CC1,-1.6590358018875122
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1398146152496338
+[NH3+][C@H]1CCCN(C(=O)NC2CC(c3ccc(F)cc3)C2)C1,-1.0903022289276123
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.090194821357727
+Cc1ccc(OC2CCN(C(=O)c3nccnc3F)CC2)cc1,-0.9591173529624939
+CCOc1ccc(-c2nc(C)oc2-c2ccc(F)cc2)cc1,-1.0565669536590576
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.283067226409912
+NC(=O)c1ccc(Cl)cc1,-1.834831714630127
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9210957884788513
+Cc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1,-1.4698408842086792
+c1ccc(-c2ccc(NCc3cccc4ccccc34)cc2)cc1,-1.1945029497146606
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6397101879119873
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cn3)cc2[nH]1,-0.7561686635017395
+C[C@@H](NC(=O)c1cc(Cl)c(Cl)cc1F)c1ccc(Br)cc1,-0.41776031255722046
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734171867370605
+O=C(Nc1cccnc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.8229543566703796
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9976519346237183
+Fc1cccc(C[NH+]2CCC[C@H](Cc3ccc(Cl)cc3)C2)c1,-1.319667935371399
+O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.8998779654502869
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCc2[nH]ncc2C1,-0.9448403716087341
+C[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1,-1.2373290061950684
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1158198118209839
+Cc1ccc([C@@H]2CCN(C(=O)Nc3cnn(C)c3)C2)cc1,-1.1996190547943115
+C[NH+]1CCC[C@H](CNC(=O)N2Cc3ccc(Cl)cc3C2)C1,-0.9016158580780029
+C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.2643561363220215
+C[C@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2053385972976685
+Cc1cc(-c2ccc(Cl)cc2)nc(NCC[NH+]2CCCC2)n1,-0.8368744850158691
+CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1,-1.1268378496170044
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080649137496948
+C[C@H]1CN(C(=O)c2ccccc2)CC[NH+]1Cc1ccccc1O,-1.301049828529358
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1289814710617065
+Cc1cc(F)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-1.1427887678146362
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4493303298950195
+CCc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2,-1.3243573904037476
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Br,-1.1131916046142578
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254890441894531
+O=C(Nc1cccc2occc12)c1ccc(-c2nn[n-]n2)cc1,-0.9187318086624146
+O=C(NC1CC(O)C1)c1ccc(-c2ccc(F)cc2)cc1,-1.270796537399292
+C[C@@H]1C[C@H](Cc2ccc(F)cc2)C[NH+]1Cc1ccc(F)cc1,-1.230965256690979
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7274835109710693
+Clc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0122050046920776
+Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cn1,-0.9243909120559692
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0111966133117676
+Cc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1C,-1.3288968801498413
+O=C(Cc1ccc(Cl)cc1)NCc1ccc2[nH]ncc2c1,-1.1423505544662476
+CC1CN(Cc2ccc(NC3CCCCC3)cc2)CC(C)O1,-1.5006797313690186
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(F)nc1,-1.0041942596435547
+Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.173691987991333
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4721301794052124
+Cc1nc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)cs1,-1.1573400497436523
+Nc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.481597900390625
+CCC[C@H]1CN(C(=O)NCc2ncccc2Br)CCO1,-1.3422309160232544
+Nc1ccc(COc2cc(N)ccc2-c2ccccc2)cc1,-1.2690438032150269
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904678344726562
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5719501972198486
+O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2[nH]1,-0.9855435490608215
+CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.409824252128601
+Clc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.1054672002792358
+CC1(C)CC[C@H](NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.4515246152877808
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110272884368896
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3504095077514648
+O=C(N[C@H]1CC=CCC1)N1CCN(c2ccc(O)cc2)CC1,-1.40855872631073
+O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6251887083053589
+Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)cc1C,-1.0034619569778442
+COc1cccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,-1.1919879913330078
+CCCCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1,-1.5080962181091309
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1,-0.9969766139984131
+Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3557103872299194
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.9821683168411255
+Fc1ccc(N2CCCC(NCc3ccc(Cl)cc3)C2)cc1,-1.0582700967788696
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0472056865692139
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.1329456567764282
+O=C(N[C@H]1CCCC2(CCOCC2)C1)c1ccccc1CCO,-1.4936559200286865
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.9921073913574219
+O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9548507332801819
+C[NH+]1CCC(CNC(=O)CCCc2ccc(Cl)cc2)CC1,-1.4506165981292725
+O=C(NC[C@H]1CCCSC1)C(=O)N1CCCc2ccccc21,-1.1858797073364258
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1277482509613037
+O=C(c1ccc(CN2CCCC[C@H](O)C2)cc1)N1CCOCC1,-1.4612334966659546
+CC1(C)CC[C@H](NC(=O)c2conc2-c2ccccc2)C1,-1.355589509010315
+CC(C)Oc1ccc(NC(=O)c2ccc[nH]2)cc1,-1.6523255109786987
+COc1ccc(NC(=O)CCCCN=C(O)N2CCc3ccccc32)cc1,-1.0954420566558838
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9326614737510681
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2365895509719849
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ncccn2)CC1,-0.8532094359397888
+COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9903197884559631
+CC(C)CC(=O)N[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1F,-1.4369696378707886
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9365556240081787
+CC[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1C,-1.1878999471664429
+CCN1CCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-0.9631815552711487
+O=C(c1ccccc1)N1CCC(N2CC[NH+](C3CC3)CC2)CC1,-1.099137544631958
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400060176849365
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.043964147567749
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4881764650344849
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1I,-0.9088007807731628
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8367254734039307
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.3940483033657074
+Cc1nc2c([nH]1)CN(C(=O)NCc1ccc(O)cc1)CC2,-0.9505971670150757
+Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c2ccccc2n1,-0.4404936730861664
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-1.0034126043319702
+O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ccccc2F)C1,-0.850479245185852
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8784452676773071
+Cc1nc(C)c(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)s1,-0.5791884660720825
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC4=O)CC2)cc1,-0.816706657409668
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1,-1.1618072986602783
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0387839078903198
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.9468865990638733
+O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)cc1,-1.1968331336975098
+Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1F,-1.1743944883346558
+CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.6186974048614502
+Fc1cccc(CNC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1816946268081665
+Cc1nc2ccccc2nc1N1CCN(C(=O)c2cc3ccccc3o2)CC1,-0.3875564634799957
+O=C(Cc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1,-1.5315589904785156
+O=C(O)c1ccc(OCC(O)=NCCc2ccccc2)cc1,-1.5528512001037598
+O=C(NCc1ccccc1)[C@H](F)CCc1cccc(Cl)c1,-1.4505527019500732
+O=C(c1ccc(Cl)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.2152377367019653
+Cc1ccc(N2CCC(COc3ccc(Cl)cc3)CC2)nc1,-1.155808687210083
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Cl)c2)cn1,-0.9634186029434204
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1Br,-0.7961618900299072
+O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.8910064697265625
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464820861816406
+Fc1ccc(OC2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.3691142797470093
+C[C@@H](Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2)s1,-1.1171554327011108
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1,-1.0464411973953247
+O=C(Nc1nc2ccccc2s1)c1csc(-c2ccccc2)n1,-0.7853010296821594
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.07792067527771
+CC1(C)CCCN(C(=O)Nc2ccc(C(N)=O)cc2)C1,-1.385906457901001
+Cc1cc(-c2noc(-c3ccc(Br)cc3)n2)n(-c2ccc(F)cc2)n1,-0.38758033514022827
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.107256531715393
+[NH3+][C@@H](CC(=O)NCc1cccc(Br)c1)c1ccc(Cl)cc1,-1.1096351146697998
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0356777906417847
+Cc1ccccc1OCc1nc2ccccc2n1-c1ccccc1,-1.1142383813858032
+CC[NH+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2)C1,-1.4965873956680298
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)C1CC(F)(F)C1,-1.0962432622909546
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3067047595977783
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9965128302574158
+Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(O)cc3)C2)cn1,-1.2870004177093506
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2093878984451294
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.204567551612854
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-1.0701841115951538
+O=C(Nc1ccccc1Br)C1CCN(c2ccc(Cl)cc2)CC1,-0.8857384324073792
+CC(C)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCN3)C1,-0.9767439961433411
+COc1ccccc1CNC(=O)C1CCC=CCC1,-1.6273541450500488
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1252100467681885
+O=C(c1ccc(CN2CC[C@H](F)C2=O)cc1)N1CCCCC1,-1.1098997592926025
+CCc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1701488494873047
+c1ccc(Cc2nc(COC3CCCC3)no2)cc1,-1.6323325634002686
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4c3)CC2)cc1,-0.7117407917976379
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731309652328491
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2[nH]cnc2c1,-1.060391902923584
+CCC[NH+]1CCN(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1,-1.0334880352020264
+O=C(NC[C@@H]1CC12CCOCC2)c1ccc2c(c1)CCO2,-1.414654016494751
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Br)c1,-1.0552043914794922
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)C1CCCCC1O,-1.03951096534729
+O=C(Nc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1,-0.9711318016052246
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1891165971755981
+C[C@H]1CC[C@H](c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1,-0.9859069585800171
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.081356406211853
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924241542816162
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3239705562591553
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.3594104051589966
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734138488769531
+COc1ccc(CC(=O)Nc2ccc(OC)cc2)cc1,-1.5911203622817993
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2occc2c1,-0.9636904001235962
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c([O-])c1,-1.1684720516204834
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0864911079406738
+COc1cccc(CNC(=O)c2ccc(Br)o2)c1,-1.530670404434204
+CC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1,-1.5485706329345703
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1F,-0.9050353169441223
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9379088878631592
+Cc1oc2ccccc2c1C(=O)NCc1ccc(O)cc1,-1.2220780849456787
+c1ccc(CNc2nc3ccccc3nc2-c2ccccc2)cc1,-0.9621930122375488
+Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C)n1,-1.080389380455017
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Br)cc1,-1.0012956857681274
+Cc1cc(CNC2CCCCC2c2ccccc2)ccc1F,-1.1283584833145142
+Cc1cc(NC(=O)c2csc(-c3ccc(N)cc3)n2)no1,-0.9847511053085327
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3484630584716797
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8186408281326294
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466200351715088
+CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.381447672843933
+CC(C)C(C(N)=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.8255481123924255
+CC1(C)CC(NC(=O)c2ccc(C(C)(C)C)cc2)C1,-1.3857920169830322
+O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.8406646847724915
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0855169296264648
+Nc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2923133373260498
+Cc1ccccc1N1C[C@@H](C(=O)NC2CCCCC2)CC1=O,-1.1397984027862549
+O=S1(=O)CCC(SCc2noc(-c3ccccc3)n2)C1,-1.4467583894729614
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3126193284988403
+Fc1ccc([C@H]2CCC[C@H]2C[NH2+]c2ccc(Cl)cc2I)cc1,-0.6458058953285217
+Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)nc1,-1.0045725107192993
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907994747161865
+Cc1ccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)cc1,-1.4252456426620483
+[NH3+]C1CC(CNC(=O)Cc2ccc3c(c2)CCC3)C1,-1.3734909296035767
+O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(F)c1,-1.3862566947937012
+Cc1c(C(=O)Nc2ccccc2N)cnn1-c1ccc(F)cc1,-0.7316902279853821
+CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2N)cc1,-0.9775153994560242
+CN1CCC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.3626760244369507
+O=C(c1cc2ccccc2o1)N1CCN(Cc2cccs2)CC1,-1.174072027206421
+Cc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1,-1.1657330989837646
+CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.4603691101074219
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.382019281387329
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.8967503905296326
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382864713668823
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9025810360908508
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0618563890457153
+Oc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1Br,-1.2546758651733398
+CC(C)(O)CC(=O)NC1CC[NH+](C[C@@H]2CCCCO2)CC1,-1.5976423025131226
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.1635372638702393
+Cc1ccc(OCC(=O)N2CCCCC2)c(N2CCOCC2)c1,-1.5050685405731201
+CC(C)CC[NH+]1CCC(NC(=O)c2cc3ccccc3o2)CC1,-1.1362605094909668
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254870772361755
+CC[C@@H](C)C(=O)N1CCC(COc2ccc(Cl)cc2)CC1,-1.37189781665802
+Cc1ccc(C)c(C(=O)NC2CCN(C3CCOCC3)CC2)c1,-1.2144783735275269
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4776549339294434
+Cc1ccc(O)cc1C(=O)NCC1CC2(CCC2)C1,-1.4495497941970825
+Cc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)C[C@H]2C)c1,-0.6874380707740784
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.141018271446228
+Nc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8068685531616211
+O=C(NCc1ccc(Br)c(F)c1)[C@@H]1CC12CCC[NH2+]CC2,-0.994941771030426
+O=C(C1CCCCC1)N1CCN(Cc2ccc(F)cc2F)CC1,-0.9019951224327087
+O=C(NCC[NH+]1CC[C@H](F)C1)Nc1ccccc1,-1.658932089805603
+Cn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)nc2ccc(Cl)cc21,-0.38233035802841187
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0793607234954834
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.060726523399353
+Cc1ccc(COc2ccc(C)cc2-c2ccccc2)cc1,-1.3812406063079834
+Nc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.1648390293121338
+CC(=O)OCC1CCCN(Cc2ccccc2)C1,-1.6961661577224731
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8842495083808899
+O=C1NCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9319175481796265
+O=C(Nc1ccc2c(c1)CCCC2)Nc1ccc(Cl)cn1,-1.0383267402648926
+CCN1CCN(c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,-1.053480625152588
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.080212116241455
+O=C(c1cccc(F)c1O)N1CCN(Cc2ccccc2)CC1,-1.1105718612670898
+Cc1ccc(NC(=O)C[NH+]2CCCC[C@H]2C(=O)[O-])cc1,-1.5217245817184448
+Cc1cc(Cl)cc(CN2CC[NH+](Cc3ccccc3)CC2)c1,-1.4450286626815796
+CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1,-1.1650561094284058
+O=C(Cc1ccc(Cl)cc1)NCc1cc2ccccc2s1,-1.1464498043060303
+Cc1nnc(NC(=O)c2cc(-c3ccc(O)cc3)[nH]n2)s1,-0.8138691782951355
+NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1,-1.0995792150497437
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC,-1.3713561296463013
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0745841264724731
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9594920873641968
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0752133131027222
+O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1O,-1.0013844966888428
+Cc1nc2ccc(NC(=O)Nc3cccc(F)c3)cc2o1,-1.1460473537445068
+Cc1nc(C[NH+]2CCN(Cc3ccc(F)cc3F)CC2)cs1,-0.8934820294380188
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9189539551734924
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.515485167503357
+O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1F,-1.1318897008895874
+CC1(C)CC[C@H]1C(=O)N1CC[C@H](Cc2ccc(Cl)cc2)C1,-1.0271079540252686
+CNC(=O)N1CCC2(CC1)C[NH+](Cc1ccc(C)cc1)C2,-1.4880776405334473
+c1ccc([C@@H]2CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)cc1,-1.3835102319717407
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0649617910385132
+CC(C)C1CCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1,-1.1357405185699463
+O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCCCCCCC1,-1.2376716136932373
+COc1ccc(CNC(=O)[C@H]2CC[C@H](C)C2)cc1,-1.6620866060256958
+O=C(c1cccnc1O)N1CCCC[C@H]1Cc1cccc(Cl)c1,-0.9309415221214294
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.4607264995574951
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.2963578701019287
+C[C@H]1CC[C@@H](NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2)C1,-1.0066107511520386
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9221203327178955
+CN1CC[C@@H](NC(=O)c2ccc(N3CCSCC3)cc2)C1=O,-0.9980688691139221
+CN1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.3003891706466675
+CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,-1.2321655750274658
+O=C(CCNc1ccccc1)N1CCC(c2ccccc2)CC1,-1.4903924465179443
+Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCC[C@@H]3C2)cc1,-1.451111912727356
+O=C1C[C@@H](C(=O)N2CCC[C@H](Cc3ccccc3)C2)CCN1,-1.3356858491897583
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1399693489074707
+O=C(C(=O)N1CCC2(CCOCC2)CC1)N1CCN(c2ccccc2)CC1,-1.1263788938522339
+[NH3+]C1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.029664397239685
+C[NH+]1CCN(c2ccccc2NCc2ccc(O)cc2)CC1,-1.334314227104187
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0221155881881714
+CC(C)Oc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1,-0.9001887440681458
+CCc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1,-1.3036936521530151
+NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-1.4050850868225098
+O=C(NCC1CC1)c1ccccc1,-1.8463603258132935
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1O,-0.9394422173500061
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9529277682304382
+CCc1nc(C(=O)NCc2ccc(N)cc2)cs1,-1.279233455657959
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1cccc(Cl)c1,-0.9446573257446289
+Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.978596568107605
+Cn1nc2c(n1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7877992987632751
+CC(C)CC(=O)Nc1ccc(NC(=O)C(C)(C)N)cc1,-1.4140998125076294
+Cc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)n1,-1.359953761100769
+Cc1cccc(CN2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1,-1.5318955183029175
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.117012858390808
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl,-0.9077497720718384
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)nc1,-0.8620270490646362
+C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(F)c2)CC1,-0.9715840220451355
+O=C(CCCc1ccc(Cl)cc1)NCc1ccc(O)cc1,-1.5580463409423828
+Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)c(F)c1,-0.792716383934021
+[NH3+][C@H](Cc1ccc(O)cc1)C(=O)NCc1ccccc1Br,-1.4171773195266724
+CC(=O)N1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1,-1.3017239570617676
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.00937819480896
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1885509490966797
+Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9860259294509888
+O=C(O)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1,-1.3841826915740967
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0483100414276123
+Cc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1,-1.5461220741271973
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5293917655944824
+CC(C)COC(=O)c1cc(I)ccc1N1CC[NH+](C)CC1,-0.9692161679267883
+O=C(NCc1ccccc1)c1ccc2s[nH]c(=O)c2c1,-1.2570754289627075
+COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.1938358545303345
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9955434203147888
+Cc1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1,-1.5710431337356567
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(F)cc1,-1.5677803754806519
+Cc1ccc(NC(=O)C(=O)Nc2cccc(C)c2)cc1,-1.556153416633606
+O=C(NCc1ccc(Cl)cc1)NC1CCOCC1,-1.6148601770401
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1394479274749756
+Nc1cc(NC(=O)COc2ccc(F)cc2)c(F)cc1F,-0.9273001551628113
+C[NH+]1CCN(c2ccc(C(=O)N3CCC(CO)CC3)cc2)CC1,-1.1221760511398315
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0857528448104858
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2766073942184448
+O=C(Cc1ccc2ccccc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.7894008755683899
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4359287023544312
+O=C(C[NH+]1CCN(c2cccc(F)c2)CC1)N1CCc2ccccc2C1,-0.8240640759468079
+O=C(N[C@@H]1CCCCC[C@H]1c1ccc(F)cc1)c1ccccc1,-1.2841365337371826
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.211995005607605
+Cc1ccc2nc(CNC(=O)c3ccc(F)cc3)sc2c1,-0.8354611396789551
+C[NH+]1CCN(c2ccc(NC(=O)N3CCCCCC3)cc2)CC1,-1.336337924003601
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.0979923009872437
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.9078852534294128
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.45847997069358826
+O=C(Nc1ccc(Br)cc1Cl)N1CCC(c2ccccc2)CC1,-0.80237877368927
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]cnc2c1,-1.070707082748413
+C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1462671756744385
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4710317850112915
+Cc1ccc(N2CC[C@H](NC(=O)C3CCCCC3)C2=O)cc1,-1.116645097732544
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2F)CC1,-0.8882369995117188
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1727073192596436
+COc1ccc(C)cc1CC(=O)Nc1ccc(C)cc1F,-1.1209598779678345
+O=C(N[C@@H]1CCO[C@@H]1[C@@H]1CCCO1)c1ccc(O)c(F)c1,-1.2652232646942139
+O=C(NCc1cccc(F)c1)c1cc2ccc(Br)cn2n1,-0.8725318908691406
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.022534728050232
+Cc1cc(I)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9183013439178467
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9573054313659668
+O=C(Cc1ccc(F)cc1)NC[C@@H]1Cc2ccccc2O1,-1.4475998878479004
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.031009316444397
+O=C(Cc1ccccc1O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.482774019241333
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2917004823684692
+Cc1ccc(Cl)cc1NC(=O)N1CCOC[C@H]1c1ccccc1,-1.187595009803772
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4313186407089233
+Clc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.029171109199524
+Cc1cc([NH3+])ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1772066354751587
+O=C1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1,-1.3710750341415405
+C[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccccc3)CC2)C1,-1.467035174369812
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9593742489814758
+Cc1ccc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.162413477897644
+O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.048717975616455
+C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](C)O1,-1.4543088674545288
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1,-1.0250427722930908
+Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2n[nH]nc2c1,-0.7716788053512573
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(O)cc2)CC1,-0.48599186539649963
+CC1Cc2cc(C(=O)NCc3ccccc3Cl)ccc2O1,-1.1687015295028687
+Cc1nc2ccccc2n1C(=O)NCc1cccc(Cl)c1,-0.8983291983604431
+C[NH+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(O)cc3)CC2)C1,-1.4951139688491821
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0268604755401611
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241883039474487
+Cc1cccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)c1,-1.034697413444519
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8866481781005859
+CN(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1348822116851807
+CCNC(=O)N[C@H]1CCN(c2ccc(I)cc2)C1,-1.474894642829895
+Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C2)cc1,-1.209359049797058
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0863913297653198
+Clc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.0065256357192993
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(O)cc1,-1.427172064781189
+COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1,-1.0821661949157715
+c1ccc(N2CCN(Cc3ccc(-c4ccco4)cc3)CC2)cc1,-1.4092700481414795
+Cn1cnc2c(C(=O)NCc3cccc(Br)c3)cccc21,-0.9859724044799805
+Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)C)[C@H](C)C1,-0.6582057476043701
+Oc1ccc(Oc2ccccc2)cc1,-1.8306041955947876
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8176600933074951
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0964022874832153
+O=C(COc1ccccc1)OCc1ccccc1,-1.7573621273040771
+O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0975770950317383
+CCc1nc2c(o1)CN(C(=O)c1ccc(C(=O)[O-])cc1)CC2,-0.9904949069023132
+Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.0750969648361206
+CC(C)(C)c1ccc(CNc2ccc(F)c(F)c2)cc1,-1.0941051244735718
+C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1,-1.140299916267395
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0542209148406982
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.4452508687973022
+O=C(Nc1ccc(O)cc1)N1CCN(c2ncccc2Cl)CC1,-0.9450451731681824
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2643537521362305
+O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.449594497680664
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1Cl,-0.9355315566062927
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5491538047790527
+Cc1ccc(C(=O)NC2CC(c3ccc(O)cc3)C2)cn1,-1.183070182800293
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(C)n1,-0.9054684638977051
+O=C(NC[C@H]1CCCCO1)N1CCC[C@@H](C2CCCCC2)CC1,-1.4676059484481812
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9161819219589233
+CC1CCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)CC1,-1.4030007123947144
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-1.0099806785583496
+CC(c1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1,-1.1857632398605347
+C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0760254859924316
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccccc1,-1.2169394493103027
+Cc1ccc(C[C@@H](O)CNC(=O)C2CCC(C)CC2)cc1,-1.4725350141525269
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.012071132659912
+C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1,-1.5232954025268555
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.530626893043518
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9835600256919861
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.3960011005401611
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238675117492676
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2280114889144897
+Cc1cccc(NC(=O)C(C)(C)C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1,-1.3524850606918335
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1213138103485107
+O=C(N[C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1,-1.0402060747146606
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9489694237709045
+Cc1cc(NC(=O)c2ccccc2F)nc(-c2ccccc2)n1,-0.8676348924636841
+c1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1,-1.2008917331695557
+Cc1cc(NC(=O)N2CC(c3ccccc3)C2)ccc1F,-1.1704026460647583
+O=C(Cc1ccc(Cl)cc1)NCc1ccc2nc[nH]c2c1,-1.1420403718948364
+CC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5486646890640259
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.075026035308838
+O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1,-1.5488967895507812
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cn1,-1.5357128381729126
+N#Cc1ccc(CNC(=O)Cc2cccc(F)c2)cc1,-1.5456734895706177
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0224614143371582
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3126181364059448
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3088929653167725
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0607374906539917
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.127962350845337
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)[nH]n2)CC1,-0.9260117411613464
+O=C(NCc1ccc(O)cc1)c1cc2ccc(O)cc2o1,-1.3199000358581543
+C[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1,-1.4502708911895752
+O=S(=O)(CCc1ccccc1)NCc1ccc(F)cc1,-1.6556934118270874
+CCCCOc1ccc(NC(=O)c2ccccc2)cc1,-1.681990146636963
+C[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.0701916217803955
+C[C@H]1COCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.3473494052886963
+CC1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3693181276321411
+NC(=O)N1CC[NH+](Cc2ccc(N3CCCC3=O)cc2)CC1,-1.1714930534362793
+Cc1cc(Cl)ccc1C(=O)N1CCN(CC2CCCCC2)CC1,-0.9930980801582336
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4709159135818481
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4541724920272827
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1370264291763306
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4389164447784424
+Cc1ccc(NC(=O)Cc2ccc(O)cc2S(C)(=O)=O)cc1,-1.3062916994094849
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.211727499961853
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3590186834335327
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1,-1.0933119058609009
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1909526586532593
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3617602586746216
+O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2o1,-1.0309027433395386
+Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.3839950561523438
+C[NH+]1CCCC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1,-1.2827973365783691
+COc1ccc(CCCC(=O)Nc2n[nH]c3ccccc23)cc1,-1.359431266784668
+CC(=O)Nc1ccc(CNC2CCCCC2)cc1,-1.658280849456787
+Fc1ccc(OC2CC[NH+](Cc3ccc(Br)cn3)CC2)cc1,-1.1429513692855835
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)cn1,-1.0201802253723145
+C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccccc1,-1.4311407804489136
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.1172515153884888
+C[C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9454510807991028
+CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[NH3+])CC1,-1.1063110828399658
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0798470973968506
+C[C@H]1CN(C(=O)c2ccc3cc(Br)ccc3n2)CCN1c1ccccc1,-0.5002779960632324
+CCNC(=O)c1ccc(C(=O)N2CCC[C@H]2C)cc1,-1.3458529710769653
+Cc1nc2cccc(C(=O)NCc3ccc(Br)cc3)c2o1,-0.9495248198509216
+C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1,-1.2863972187042236
+CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.288103461265564
+Cc1ccc(C(=O)N2CCC(Nc3ccccn3)CC2)c(F)c1,-0.9443480968475342
+CCc1ccc(NC(=O)C(=O)NC(C)C)cc1,-1.6407700777053833
+O=C(N[C@H]1CCC[C@H]1F)N1CC[C@@H](c2cccc(F)c2)C1,-0.9972025752067566
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1017394065856934
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567842483520508
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1789278984069824
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1,-1.0600782632827759
+C[C@H]1CCCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4482699632644653
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1564910411834717
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.2594321966171265
+CCOc1ccccc1NC(=O)C(=O)N(C)C,-1.6428658962249756
+Brc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.2303686141967773
+Nc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8566393852233887
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.000020980834961
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0853041410446167
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.0267739295959473
+Cc1cc(NC(=O)c2ccco2)nn1-c1ccc(F)cc1,-1.1377973556518555
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1987770795822144
+O=C(N[C@H]1CC12CCCCC2)c1ccc(N2CCSCC2)cc1,-1.1447831392288208
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]1,-1.2276569604873657
+C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4133479595184326
+Brc1ccccc1CNCCN1CCCCC1,-1.6376261711120605
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F,-1.1725542545318604
+CC(C)Cn1ccc(C(=O)N2CCC(c3ccccc3)CC2)n1,-1.0736637115478516
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.1104236841201782
+C[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-0.9829431772232056
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9381518363952637
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1occc1-c1ccccc1,-1.135168194770813
+O=C(CSc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.171884298324585
+Nc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(F)c1,-1.0317493677139282
+C[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3F)cc2)C1,-1.0637316703796387
+O=C(c1ccc(F)cc1)N1CCC[C@@H](CCc2ccccc2)C1,-1.3119834661483765
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C)c2)C1,-1.0614819526672363
+CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1,-1.5394814014434814
+O=C(NCc1ccc(Cl)c(F)c1)c1cnn2c1CCCC2,-0.6611897945404053
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.11826491355896
+O=C1C[C@@H](C(=O)Nc2ccccc2-c2ccccc2)CCN1,-1.3028113842010498
+CCCc1ccc(NC(=O)C[NH+]2CCO[C@]3(CCOC3)C2)cc1,-1.5573821067810059
+O=C(Nc1ccc(O)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.3988016843795776
+O=C(Nc1ccc(I)cc1)N1CCN(CC(F)(F)F)CC1,-0.9465118050575256
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0804232358932495
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.905225396156311
+Cc1cc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.2248445749282837
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2114061117172241
+O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.3431681394577026
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.2266108989715576
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567840099334717
+C[C@@H]1CN(C(=O)NC2CC(C(C)(C)C)C2)C[C@H](C)O1,-1.2537133693695068
+Cc1c(F)cccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9685533046722412
+Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)c1,-1.120354175567627
+Cc1cc(Cl)cc(C)c1NC(=O)COCC1CCOCC1,-1.332505464553833
+O=C(CCc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1c1ccccc1,-1.4800505638122559
+CC(C)CNC(=O)C1CCN(c2ccc(Cl)c(F)c2)CC1,-0.8710514307022095
+Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1,-0.849846601486206
+Cc1ccc([C@H](C)CC(=O)NCc2ccc(Br)cc2)cc1,-1.2820051908493042
+Cc1ccccc1CC(=O)Nc1cccc(N2CCOCC2)c1,-1.4222332239151
+C[NH+]1CCC[C@H](CNC(=O)Cc2nc3ccccc3[nH]2)C1,-1.2303937673568726
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.7204490900039673
+O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.1367720365524292
+Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9869049787521362
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617022275924683
+O=C(N[C@@H]1CCCC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)cc1,-1.2369639873504639
+C[C@H]1CCCC[NH+]([C@@H]2CCCC[C@H]2NC(=O)C2CCOCC2)C1,-1.2453522682189941
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9589104652404785
+COc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1,-1.6223124265670776
+O=C(C[NH+]1CCCC1)Nc1cnn(-c2ccc(Cl)cc2)c1,-1.2058242559432983
+Cc1cccnc1-c1ccc(C(=O)Nc2ccc(N)cc2)cc1,-1.1266074180603027
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2661559581756592
+C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCN1c1ccccc1,-1.074547529220581
+Cc1ccc(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1,-0.6958082914352417
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9013792872428894
+O=C(NCCCO)c1cccc(Cc2ccccc2)c1,-1.622721791267395
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Cl)cc1,-1.0357354879379272
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508615016937256
+COc1ccc(CC(=O)N[C@H]2CCC3(CCCC3)C2)cc1,-1.5639647245407104
+COc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1580126285552979
+Cc1nc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n[nH]1,-0.8930124044418335
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3008214235305786
+C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2)CCN1c1ccccc1,-0.9911715984344482
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617167711257935
+Cc1ccccc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,-0.9863902926445007
+O=C(CNC(=O)c1ccc(O)cc1)c1cccc(Br)c1,-1.4753904342651367
+O=C(NC[C@@H]1CCCCO1)N[C@@H]1CCOc2ccccc21,-1.5359658002853394
+CC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4791195392608643
+O=C(N[C@H]1CCCCN(c2ccccc2)C1)c1ccc(O)cc1,-1.3780651092529297
+Cc1cccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)c1,-1.02156662940979
+NC(=O)c1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]3C2)cc1,-1.063420295715332
+COC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1441636085510254
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.270706057548523
+CC(C)c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1,-1.2624425888061523
+Cc1ccccc1C(=O)N[C@H]1CCOC[C@H]1c1cccc(F)c1,-1.0845298767089844
+Cc1nnc(NC(=O)C[NH+]2CCC([NH+]3CCCC3)CC2)s1,-1.0263655185699463
+CN(C)c1ccc(NC(=O)C(N)c2ccc(Cl)cc2)cc1,-1.0290162563323975
+CC(C)(C(=O)NCc1ccc(Br)cc1F)c1ccccc1,-1.041406273841858
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8253439664840698
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599968791007996
+Cc1ccc(N2CCN(C(=O)NCC(C)(C)C)CC2)cn1,-1.1432182788848877
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1027779579162598
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.236729383468628
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9883770942687988
+Oc1ccc(Cc2ccc(F)cc2)cc1,-1.7177412509918213
+O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1,-1.421135663986206
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084631085395813
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)CC1)c1cccc(Br)c1,-1.1116639375686646
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)on1,-1.1259652376174927
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1438663005828857
+O=C(Nc1ccnn1-c1ccc(F)cc1)N1CC[C@H](F)C1,-0.985209047794342
+N#Cc1ccc(NC(=O)N2CCC(N3CCOCC3)C2)cc1,-1.3987780809402466
+Cc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1395412683486938
+O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.1974842548370361
+O=C(C[NH+]1CC[C@H](c2ccc(Br)cc2)C1)NC1CCCC1,-1.3885160684585571
+Nc1cc(Cl)c(OCc2ccccc2)c(-c2ccccc2)c1,-1.1056197881698608
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382936239242554
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258819341659546
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.115235686302185
+CC(C)(CO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5650497674942017
+Fc1cccc(-c2nnc(NCc3ccc(F)cc3F)s2)c1,-0.5853269696235657
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0065944194793701
+Cc1ccc(F)cc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1,-0.5854367613792419
+O=C(CCC1CC1)N1CCC(Oc2ccc(F)cc2)CC1,-1.464006781578064
+Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)[nH]1,-1.2697795629501343
+O=C(NCC1CCOCC1)Nc1ccc(Cl)cc1,-1.6155784130096436
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5075316429138184
+Cc1ccc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)cc1,-1.2369951009750366
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2184982299804688
+O=C(Cc1ccccc1)NCc1nc2ccc(F)cc2[nH]1,-1.1750667095184326
+O=C(c1ccc(F)cc1)N1CCOC2(CC[NH+](C3CCCCC3)CC2)C1,-1.179437279701233
+C[C@H]1C[C@@H](NC(=O)c2cccc(-c3ccccc3F)c2)CCO1,-1.1307799816131592
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0173287391662598
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.3637828826904297
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.031500220298767
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4219921827316284
+N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.346222162246704
+CCCCNC(=O)C(=O)N1CCC([NH+]2CCC(C)CC2)CC1,-1.2394479513168335
+C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.1112650632858276
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1,-1.1180096864700317
+O=C(Nc1ccc(O)cc1)c1ccc(-c2ccccc2Cl)cc1,-1.0625522136688232
+O=C(NC[C@H]1COC2(CCCCC2)C1)c1ccc(F)cc1,-1.5380511283874512
+Cc1ccccc1CC(=O)Nc1ccccc1N1CCSCC1,-1.1655269861221313
+Cc1ccc(C(=O)NCC(=O)N2Cc3ccccc3C2)cc1,-1.207797646522522
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1749504804611206
+O=C(Cc1cccc(Cl)c1)NCc1ccc2[nH]ncc2c1,-1.3007934093475342
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)o1,-1.2284575700759888
+O=C([O-])c1ccc(NC(=O)N2CC[NH+]3CCCC[C@H]3C2)cc1,-1.0660024881362915
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1cccc(I)c1,-1.4428993463516235
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1844303607940674
+O=C(NC1C[NH+](C2CCCCC2)C1)[C@@H]1CCc2ccccc2C1,-1.037448763847351
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1236778497695923
+O=C(Cc1ccc(F)cc1)N[C@@H]1CCC2(CCOCC2)C1,-1.5511161088943481
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.941005527973175
+N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3362427949905396
+Cc1cc(C(=O)N2CCC[C@H]2Cc2cccc(Br)c2)on1,-1.0515460968017578
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(Cl)cc1F,-0.7907159328460693
+CNC(=O)c1ccccc1C,-1.8677116632461548
+CCCCN=C(O)CCOC1CCN(C(=O)c2ccccc2)CC1,-1.5245112180709839
+Cc1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)s1,-1.4264352321624756
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671261548995972
+CC1(C)CC(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.398804783821106
+O=C(NCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1,-1.3512659072875977
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8608545660972595
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9592591524124146
+Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-0.9659178256988525
+CC1CCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1,-1.089103102684021
+CC(Cl)CC(=O)N1CCN(CCc2ccc(F)cc2)CC1,-1.2544928789138794
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0867564678192139
+c1ccc(C[NH+]2CCc3ncc(Nc4ccccc4)nc3C2)cc1,-1.031860113143921
+O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.3000630140304565
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1,-1.2197628021240234
+O=C(CNC1CCCCC1)OCc1ccccc1,-1.7567005157470703
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324553728103638
+O=C(CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1,-1.1974029541015625
+CC1CCCC(C(=O)NC2CC(c3ccc(Cl)cc3)C2)C1,-1.0138505697250366
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9671079516410828
+[NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(CC(F)(F)F)c2)C1,-1.0778913497924805
+C[NH+]1CCN(c2ccccc2)C[C@H]1C(=O)Nc1ccc(Cl)cc1,-1.0330580472946167
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c([O-])c1,-1.1316806077957153
+CCNCc1ccccc1,-2.0436668395996094
+O=C1OCc2cccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c21,-0.7564976215362549
+COc1cccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,-1.1997973918914795
+Cc1ccc(C(=O)N2CCC(C(O)=NCCCc3ccccc3)CC2)cc1,-1.0825904607772827
+O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2[nH]cnc2c1,-0.9701827764511108
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1246730089187622
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5303291082382202
+Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(Br)c1,-0.8550442457199097
+O=C(c1ccc(O)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.4243128299713135
+C[NH+]1CCN(CCNC(=O)C(C)(C)c2ccccc2)CC1,-1.573014736175537
+CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl,-0.8893325924873352
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3807896375656128
+COc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.2277644872665405
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2768570184707642
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.624188780784607
+O=C(NC1CCCC1)c1ccc(-c2nc3ccccc3o2)cc1,-1.1008962392807007
+CN(CC1CC(C)(C)C1)C(=O)c1cnc2ccccc2n1,-0.8812401294708252
+CCOC1CCN(C(=O)c2ccc3c(c2)CC(C)O3)CC1,-1.240763783454895
+CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5630292892456055
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382981538772583
+O=C(Nc1ccccc1)N1CCCN(c2ccc(F)cc2)CC1,-1.4455673694610596
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(N)c1,-1.1830289363861084
+O=C(Nc1ccc(Cl)cc1Cl)C1CCC(c2ccccc2)CC1,-0.9100403189659119
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764300346374512
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.075085163116455
+CC[NH+]1CCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-0.9988151788711548
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0007343292236328
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0245354175567627
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781573057174683
+Fc1ccc(CN2CCNCC2)cc1,-1.7630228996276855
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.073415994644165
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0646841526031494
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8301324248313904
+O=C(Nc1ccc(Br)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.1426340341567993
+CCOc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1,-1.5217045545578003
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1075141429901123
+Cc1ccc(NCc2ccc(N3CCOCC3)nc2)cc1C,-1.2309430837631226
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.432511568069458
+O=C([O-])CCc1ccc(NC(=O)CN2CCCC2=O)cc1,-1.5435724258422852
+O=C(N[C@H]1CC[NH+](C2CCCC2)C1)c1ccc(F)c(F)c1,-0.9096378087997437
+COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.594440221786499
+CC1(C)CCN(Cc2ccc(Oc3ccccc3)cc2)CC1,-1.541123628616333
+O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1,-0.8569062352180481
+O=C(CCc1ccc(F)cc1)NCc1ccc(Br)cc1F,-1.0357359647750854
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.634399652481079
+O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCC[C@H]1c1ccccc1,-1.0494762659072876
+O=C(NC1CCCC1)N1CC[C@@](O)(c2ccc(F)cc2)C1,-1.5370749235153198
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531771659851074
+CC(=O)N1CC[NH+](Cc2ccc(N3CCOC3=O)cc2)CC1,-1.332166075706482
+CN1CCN(c2ccc(Br)cc2OCC2CCCCC2)CC1,-1.0846587419509888
+Clc1ccc(COc2ccc(Cl)cc2-c2ccccc2)cc1,-1.1045891046524048
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.0522799491882324
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.5128862857818604
+Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(Cl)c1,-0.9924260377883911
+O=C(O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9577228426933289
+CC(=O)N1CCCC(NC(=O)c2ccc(F)c(Cl)c2)C1,-0.8390974998474121
+O=C(OCc1ccccc1)Oc1ccc(F)cc1,-1.6839879751205444
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(S)cc1,-1.0582516193389893
+Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.654288411140442
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124967575073242
+C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1807641983032227
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1561728715896606
+CC(C)c1ocnc1C(=O)NCc1ccccc1,-1.596620798110962
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n1,-1.0391817092895508
+CC(C)CC(=O)N[C@H]1CCCC[NH+]1Cc1ccc(Cl)cc1,-1.3596922159194946
+O=C([O-])C1CC[NH+](Cc2ccc(N3CCCC3=O)cc2)CC1,-1.2193303108215332
+Cc1ccc(OCc2nc(-c3ccc(O)cc3)no2)c(C)c1,-1.1304714679718018
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.434676170349121
+Fc1ccc(OCc2ccccc2)cc1,-1.7760601043701172
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764888882637024
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9927675127983093
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5003312826156616
+Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.9399242401123047
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5052536725997925
+O=C(NCc1cccc(I)c1)Nc1ccccc1,-1.571865200996399
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1,-1.4677919149398804
+O=C(NCc1ccccc1)Nc1cccc(O)c1,-1.6905522346496582
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-0.965031623840332
+O=C(N[C@H]1CCC(=O)N1c1ccccc1)c1ccccc1O,-1.2426600456237793
+Fc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1Cl,-1.0154744386672974
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1310886144638062
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ncccc2Cl)CC1,-1.1223119497299194
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1744346618652344
+Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1,-1.041220784187317
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199453830718994
+O=C(c1cccc(O)c1)N1CCN(Cc2ccc(O)cc2)CC1,-1.27976655960083
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820323944091797
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1954096555709839
+Cc1ccc(OCC(=O)N[C@@H]2CCOC3(CCC3)C2)cc1,-1.5974801778793335
+CN1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3)c2)C1=O,-1.2182456254959106
+O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)cc1,-1.1508636474609375
+CC(=O)Sc1ccc(OCc2ccccc2)cc1,-1.648824691772461
+O=C(NCc1ccccc1S)N1CCOCC2(CCCCC2)C1,-1.465876579284668
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2899699211120605
+Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4716328382492065
+Cc1ccc(C)c(NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1,-1.052986979484558
+O=C(c1ccc(-c2ccc(F)cc2F)cc1)N1CCO[C@@]2(CC[NH2+]C2)C1,-0.8486663103103638
+O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4175539016723633
+Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9848620891571045
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.2249853610992432
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5488179922103882
+CC1(C)CC[C@H]1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1,-0.947406530380249
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.294461965560913
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5731050968170166
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8355585932731628
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3854674100875854
+Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)on1,-1.1008621454238892
+Cc1cnc(-c2cccc(F)c2)c(NCc2ccccc2)n1,-1.0812427997589111
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ncccc12,-0.4734843373298645
+COc1ccc([C@@H]2C[C@H](O)C[NH+]2Cc2cccc(Br)c2)cc1,-1.1764540672302246
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1380215883255005
+Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)s1,-1.0375665426254272
+C[NH+]1CCC[C@H](C(=O)NC2CCN(c3cccc(F)c3)CC2)C1,-1.0091012716293335
+Cc1nc2c(o1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.9962641596794128
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.237531065940857
+Nc1ccc2sc(C(=O)NCc3ccc(F)cc3)cc2c1,-0.9491580724716187
+Cc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1,-1.388901948928833
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2472610473632812
+Cc1ccc(CC2CCN(C(=O)c3ccccc3)CC2)c(F)c1,-1.0574641227722168
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9562280774116516
+Nc1ccccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0940576791763306
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0541173219680786
+Nc1ccc(-c2ccccc2)c(C(=O)Nc2ccccc2Br)n1,-0.8099573850631714
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1919336318969727
+Cc1ccc(NC(=O)C2CC[NH+](CC(C)(C)O)CC2)cc1,-1.5316026210784912
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6757402420043945
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.456335425376892
+COc1ccc(C(=O)NCc2nc(C)cs2)cc1,-1.5781710147857666
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7140331268310547
+C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1CC1CCCCC1,-1.1320711374282837
+CC(=O)NC1CCN(C(=O)Cc2cccc(C)c2)CC1,-1.481370210647583
+O=C(Nc1ccc(F)cc1)N[C@@H]1CCC2(CCOCC2)C1,-1.5495725870132446
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1,-0.867079496383667
+COc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1,-1.2983012199401855
+O=C(NCc1cc2ccc(F)cc2o1)c1ccc(F)cc1,-1.1082463264465332
+C[C@H]1CCC[C@H](CNC(=O)c2nn(C)c3ccccc23)C1,-1.0105210542678833
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.193211555480957
+CC(C)(O)CNC(=O)N1CCCC[C@@H]1c1ccc(Br)cc1,-1.3306351900100708
+O=C(c1ccc(F)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1,-0.31901004910469055
+O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.26640784740448
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241752624511719
+c1ccc(-c2noc(C[NH+]3CCN(C4CCCCC4)CC3)n2)cc1,-1.1948211193084717
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9288922548294067
+Nc1cc(NCc2ccc(Cl)cc2)ccc1C1CCOCC1,-1.144736647605896
+Cc1noc(-c2ccc(CC(=O)NC3CCCC3)cc2)n1,-1.3084611892700195
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O,-1.2783761024475098
+O=C(NCc1ccccc1)N1CCC[C@H](CCCO)C1,-1.6200014352798462
+C[NH+]1CCC[C@@H](CNC(=O)CC(C)(C)c2ccccc2)C1,-1.5367764234542847
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1209332942962646
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.8736323714256287
+C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(F)cc3)C2)C1,-1.1193598508834839
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cn1,-1.2703357934951782
+Cc1ccc(F)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0094295740127563
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.41867196559906
+CC1(O)CCC(CN2CCN(Cc3ccccc3)CC2)CC1,-1.5552904605865479
+N=C(O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-1.3996139764785767
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1434553861618042
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(F)ccc4c3)CC2)cc1,-0.6531093716621399
+O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ccccc2F)C1,-0.895251452922821
+Cc1ccc(-c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)cc1,-1.1443599462509155
+CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.8165281414985657
+Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(I)c1,-0.8999573588371277
+Nc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,-1.3622382879257202
+O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1,-1.0138975381851196
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1,-0.9398396015167236
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9274260997772217
+c1ccc(OCc2noc(CC3CCCC3)n2)cc1,-1.6319185495376587
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0486745834350586
+Cc1ccc(NC(=O)N2CCC(C(C)(C)C)CC2)c(C)c1,-0.987484872341156
+COc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1,-1.1000789403915405
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.98903489112854
+CCc1ccc(CN)cc1,-1.9418865442276
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC12CCOCC2,-1.3513164520263672
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.040771722793579
+Cc1oc2ccccc2c1C(=O)NCc1cccc(Cl)c1,-1.0556014776229858
+COc1ccc(CC(=O)NCc2ccccc2)s1,-1.6515424251556396
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.17258620262146
+C[C@H]1CCC[NH+](C2CCN(C(=O)NCC(C)(C)O)CC2)C1,-1.4227964878082275
+O=C(NC[C@@H]1CCCOC1)N[C@@H]1CC12CCCC2,-1.673264741897583
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)nc1,-0.9238163232803345
+Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2)c1C,-0.7104154825210571
+COc1ccc(CNC(=O)c2csc(C)c2)cc1,-1.5845751762390137
+O=C(c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1,-1.0845727920532227
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2532178163528442
+CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1,-1.4909669160842896
+Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1,-1.1397079229354858
+O=C(c1cccc(O)c1)N1CCN(C2CCC(CO)CC2)CC1,-1.2344019412994385
+CC(C)[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCOCC1,-1.3795678615570068
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1328591108322144
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1282532215118408
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9962908625602722
+CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1,-1.160520315170288
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1S,-0.9128855466842651
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7339529991149902
+O=C(NCCc1ccc(F)cc1F)N1CCc2ccccc2C1,-0.9560277462005615
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1cccc(Br)c1,-1.1886628866195679
+Cc1nc(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n[nH]1,-0.6273651123046875
+C[C@H]1CC[C@H](C)N(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.0313063859939575
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1873600482940674
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9479045867919922
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)s1,-1.0825589895248413
+O=C(Cc1ccc(F)cc1)NC[C@@H](O)Cc1ccccc1,-1.567218542098999
+O=C(N[C@@H]1CCO[C@H]1C1CCCCC1)N1CC[NH+]2CCC[C@@H]2C1,-1.1144682168960571
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.370841145515442
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2305233478546143
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1,-0.7225438952445984
+Cn1cc(NC(=O)C(=O)Nc2ccc(Br)cc2F)cn1,-1.0991251468658447
+CC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1,-1.0887824296951294
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.4295276403427124
+Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1,-1.1160935163497925
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0870052576065063
+C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6630198955535889
+Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.2887389659881592
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5884796380996704
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1097379922866821
+COc1ccc(N2CCN(C(=O)c3cccc(O)c3)CC2)cc1,-1.202414631843567
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.6726130247116089
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1F,-1.1281801462173462
+CC(C)(O)CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-1.2648653984069824
+Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)o1,-1.0975157022476196
+O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8666126728057861
+O=C(c1cccs1)N1CCC(Nc2nc3ccccc3s2)CC1,-0.8422876596450806
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653564095497131
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863677978515625
+O=C(COc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,-1.3740615844726562
+[NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccccc1N1CCOCC1,-1.234559416770935
+COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,-1.028328776359558
+O=C(Nc1ccccc1Br)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9449154138565063
+CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc([NH3+])cc1,-1.6024935245513916
+Cc1ncc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)o1,-1.1742981672286987
+Cn1cc(C(=O)NCc2ccc([NH3+])cc2)c2ccccc21,-1.139809250831604
+CCc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.10639488697052
+O=C(c1ncccc1F)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.019196629524231
+Cc1ccc(C(=O)NCc2c[nH]c3ccc(Br)cc23)cn1,-0.9501148462295532
+COc1ccc(NC(=O)[C@H]2C[C@H]2CC(C)C)cc1,-1.553614616394043
+Cc1nc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cs1,-0.9212063550949097
+OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.4891977310180664
+Cn1nnc2cc(C(=O)NCc3ccc(O)cc3)ccc21,-1.0167373418807983
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.484216332435608
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0032126903533936
+c1ccc(-c2ccc(CNCC3CCC3)cc2)cc1,-1.63022780418396
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0118865966796875
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0747179985046387
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2113980054855347
+C[C@@H]1CN(c2ccccc2)C[C@H](C)O1,-1.779510736465454
+C[NH+]1CC[C@@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5966131687164307
+Cc1ccc(C(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1,-0.8401239514350891
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1,-1.393847942352295
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6743897199630737
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9871208667755127
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)nc1,-1.185306429862976
+O=C(NC1CCOCC1)c1ccc(-c2ccc(F)cc2F)cc1,-1.0072708129882812
+CC(C)COc1cccc(NCc2ccccc2)c1,-1.6683329343795776
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.523604154586792
+Cc1ccc(C)c(C(=O)NCCCc2cccc(Br)c2)c1,-1.1485787630081177
+O=C(Nc1ccccc1)C(=O)N1CCN(C2CCCC2)CC1,-1.4276047945022583
+Cc1ccccc1NC(=O)c1ccc(F)cc1,-1.6004389524459839
+CC(C)(C)C(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,-0.938866913318634
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.201134204864502
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852515935897827
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(O)cc2)CC1,-0.5475878715515137
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2cnn(C)c2)s1,-0.920418918132782
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1404554843902588
+O=C(Nc1ccc(Cl)cc1)C1CCC(N2CCCC2=O)CC1,-0.9948793649673462
+O=C(NCc1ccc(F)c(F)c1)c1csc2ccccc12,-0.8751423954963684
+O=C(CNC(=O)c1ccccc1)NC1CCCCC1,-1.6492087841033936
+N#Cc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1,-1.3341362476348877
+Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)n[nH]1,-0.6017048358917236
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9392083287239075
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4682271480560303
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C1CCCCCC1,-1.3106769323349
+Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)s1,-1.106955647468567
+Cc1ccc(C2(NCC(=O)N3CCOCC3)CCC2)cc1,-1.5422736406326294
+C[C@H]1CCCC[NH+]1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3283404111862183
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0776522159576416
+Cc1ccc(OCc2nnc(-c3ccc(F)cc3)n2C)cc1,-1.037418246269226
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2059882879257202
+CC(C)(Cc1ccccc1)C(=O)NCCc1ccccc1,-1.653527855873108
+Cc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1,-1.1073087453842163
+Cc1cccc(C[C@@]2(O)CC[NH+](Cc3ccccc3Cl)C2)c1,-1.3863775730133057
+N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6972976922988892
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.380089282989502
+Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1,-1.1753511428833008
+O=C(NCC1CC(F)C1)N[C@@H]1CC12CCC2,-1.640207052230835
+O=C1CC(NCc2ccc(I)cc2)CN1c1ccccc1,-1.2394487857818604
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517630696296692
+CC(C)CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC=CCC2)C1,-1.5262144804000854
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0373077392578125
+C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0514543056488037
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2154812812805176
+O=C(COc1ccccc1F)NCCC1CCOCC1,-1.6061575412750244
+O=C(Nc1ccc(-c2cc(F)ccc2Cl)cc1)N1CCCCC1,-0.8955401182174683
+Cc1cc(CNC2CCOCC2)nc(-c2ccc(F)cc2)n1,-0.9815164804458618
+C[C@H]1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1,-0.8497313857078552
+O=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2F)CC1,-0.8953040242195129
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.233256459236145
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3103190660476685
+C[C@H]1CN(CC2CCCCC2)CC[NH+]1Cc1ccc(F)cc1,-1.3576929569244385
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.1085978746414185
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)cc1,-1.0870388746261597
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2358416318893433
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)nc1,-0.8680094480514526
+[O-]c1ccc(OC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1,-1.3845436573028564
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.9876583218574524
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.3082765340805054
+O=C(Nc1nnc(C2CC2)s1)NC1CCOCC1,-1.2894959449768066
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.9998441338539124
+Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.8670174479484558
+O=C(NCc1ccc(O)cc1)c1cc2ccc(Br)cc2o1,-1.12444269657135
+Nc1cc(F)ccc1C(=O)NCc1ccc2c(c1)CCO2,-1.0177977085113525
+CN(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)cn1,-0.8977569341659546
+Cc1nc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9783682823181152
+O=C(NCc1ccccc1O)C(=O)N1CCN2CCCC2C1,-1.128130555152893
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9554441571235657
+Fc1ccc(CNC2CCCN(c3ccc(Cl)cc3)C2)cc1,-1.1682982444763184
+O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]ccc2c1,-0.9743267297744751
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.5188345909118652
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2194416522979736
+O=C(c1ccccc1F)N1CCN(Cc2cccc(I)c2)CC1,-0.8921369314193726
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2425581216812134
+O=C(NCc1cc2ccccc2o1)N1CCC2(CCC2)C1,-1.5053681135177612
+Cc1ccc(NC(=O)c2ccccc2Cl)cc1,-1.5320022106170654
+O=C(O[C@@H]1C[C@@H](c2ccc(Cl)cc2)OC1=O)c1ccccc1,-1.3196821212768555
+O=C(c1ccc(Br)cc1F)N1CCC(Cc2ccccc2)CC1,-0.903867244720459
+COC1CCN(C(=O)COc2c(C)cc(C)cc2Cl)CC1,-1.120060920715332
+CC1CN(c2ccc(NCc3ccccc3)cc2Cl)CCO1,-1.2752739191055298
+C[C@H]1CCCN(c2ccccc2C(=O)NC2CCCCC2)CC1,-1.1952229738235474
+Cn1cccc1C[NH+]1[C@H]2CC[C@H]1CN(C(=O)C1CC1)CC2,-0.8454938530921936
+O=C(Nc1ccc2c(c1)OCCO2)OCc1ccccc1,-1.5631332397460938
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1085914373397827
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133864879608154
+CCc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.6116448640823364
+CC(C)c1ccc(NC(=O)CCc2ccc(O)cc2)cc1,-1.484401822090149
+Cc1[nH+]cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2963192462921143
+Cc1ccccc1N1CCC(NC(=O)c2ccc(Br)nc2)CC1,-0.8422751426696777
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1cccc(F)c1,-1.0363489389419556
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1,-1.140881061553955
+Nc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.00801682472229
+Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9458755850791931
+C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCOCC3)cc2)[C@@H](C)CO1,-1.3451673984527588
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)n1,-0.9865805506706238
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8961013555526733
+Cc1cccc(CNc2ccc(N3CCSC(C)C3)cc2)c1,-1.3165428638458252
+Cc1ccc(C(=O)NC2CCN(c3ccc(F)cc3)C2)s1,-1.1304501295089722
+O=C(c1ccccc1)N1CCC([C@H](O)Cc2ccccc2)CC1,-1.5165075063705444
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1610394716262817
+Cc1cccc(Cl)c1CN1CCN(C(=O)C2CCCCC2)CC1,-0.8197215795516968
+C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2)CCN1c1ccccc1,-0.974963366985321
+O=C(C[NH+]1CCC2(CCOCC2)C1)NCC1CCCCC1,-1.6193948984146118
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0388108491897583
+O=C(Nc1nsc2ccccc12)N1CC[C@H]([NH+]2CCCCC2)C1,-0.8978394865989685
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2173131704330444
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2646918296813965
+CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.4129362106323242
+O=C1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3736579418182373
+Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1,-1.364789366722107
+Cc1cccc(CNC2CCCCC2c2cccc(Cl)c2)c1,-1.0848788022994995
+Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1,-0.9897064566612244
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.040573000907898
+O=C(NCCc1ccccc1)c1ccc2ccc(=O)[nH]c2c1,-1.3237605094909668
+CC(C)(O)CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.5175445079803467
+c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.4111390113830566
+Clc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl,-1.106590747833252
+CNC(=O)c1cc(C)cc(C)c1,-1.7900829315185547
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531710863113403
+Cc1ccc(C(=O)Nc2ccc(CC(C)(C)O)cc2)cc1,-1.5369250774383545
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.30829918384552
+Cc1ccc(-c2ccc(NC(=O)N3CC[NH+](C)CC3)cc2)cc1,-1.3331011533737183
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8944743275642395
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.232453465461731
+Nc1ccc(F)cc1CNC(=O)c1ccc2c(c1)OCO2,-1.040356993675232
+O=C(NCc1ccc(F)c(Cl)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8363032341003418
+CC(C)(O)CNC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.3346458673477173
+CCOc1cccc(NC(=O)c2ccc(C)s2)c1,-1.5831005573272705
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0616596937179565
+O=C(N[C@H]1CCO[C@H]1c1cccs1)c1ccc(F)c(Cl)c1,-0.9518995881080627
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9900025129318237
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F,-0.7876875996589661
+CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3526570796966553
+CN1CCN(C)C(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1448097229003906
+O=C(C1CC(O)C1)N1CCN(Cc2ccc(O)cc2)CC1,-1.441881775856018
+O=C1NCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.1142475605010986
+Cn1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9881156086921692
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1,-1.1612178087234497
+Cn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2ccccc21,-1.0211833715438843
+Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1F,-0.8457194566726685
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1,-1.0788601636886597
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.242565393447876
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3451180458068848
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588169574737549
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.017159104347229
+Cc1ccc2sc(C(=O)NCc3cccc(F)c3)cc2c1,-0.9989596009254456
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0012623071670532
+CC[NH+]1CCN(C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1,-1.2614197731018066
+C[C@@H]1CCC[C@@H](NC(=O)NC2CCC3(CC2)OCCO3)C1,-1.5630958080291748
+C[NH+]1CCC(C(=O)NC2CCN(CC(F)(F)F)CC2)CC1,-1.0931771993637085
+Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.1697571277618408
+Cc1cc(Br)ccc1NC(=O)c1cccc(C(F)(F)F)c1,-0.8109772801399231
+C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Br)cc2)C[C@H](C)O1,-1.3606550693511963
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9966796636581421
+O=C([O-])C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1,-1.3157681226730347
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1382251977920532
+C[NH+]1CC[C@@H](NC(=O)c2ncoc2-c2ccc(Cl)cc2)C1,-1.0471296310424805
+C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.316469430923462
+CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nn1,-0.8991643786430359
+CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.1342307329177856
+Cc1cnc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)s1,-0.7568950653076172
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1187180280685425
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8209888935089111
+Cn1cc(NC(=O)C2CCCC2)c(-c2ccc(F)cc2)n1,-0.9993294477462769
+Cc1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.0365378856658936
+C[NH+](C)CCCNC(=O)COc1ccc(Br)cc1,-1.5571694374084473
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3399958610534668
+O=C(NCCS(=O)(=O)C1CCCCC1)c1ccc(O)cc1,-1.5227893590927124
+Cn1c(CNc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1,-0.698330283164978
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517476320266724
+C[C@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.4512869119644165
+Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(F)c1,-1.098693609237671
+COc1ccccc1[C@@H](C)NC(=O)c1ccccc1Br,-1.164655327796936
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.4402552843093872
+O=C1Cc2cc(CNC(=O)C3CCCCC3)ccc2N1,-1.4516314268112183
+Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])C2)nc2ccccc12,-0.9464884400367737
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.072226643562317
+O=C1NCCN(C(=O)Nc2ccccc2)[C@H]1c1ccccc1,-1.3640815019607544
+CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1,-1.0776463747024536
+CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.2311599254608154
+C[C@@H]1CN(C(=O)[C@@H]2CCOC(C)(C)C2)CCN1c1ccc(F)cc1,-0.9113555550575256
+O=C(NCc1ccc(F)c(F)c1F)c1cc(F)ccc1F,-0.49004432559013367
+O=C(Cc1ccc(O)cc1)NC[C@H](O)Cc1ccccc1,-1.5960564613342285
+N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1,-1.368969440460205
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0455257892608643
+Cc1nc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)co1,-1.0833748579025269
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9291002750396729
+CC1CCN(CCNC(=O)c2ccc3c(c2)CCC3)CC1,-1.3321382999420166
+C[C@@H]1CCCC[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1,-1.2569222450256348
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-1.0961133241653442
+C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.970726490020752
+CC(=O)N1CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1,-1.1568344831466675
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8808592557907104
+CC1(C)CC[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.3634427785873413
+C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CC[NH+]1C,-1.191222071647644
+C#CCOC(=O)C1CCCN(Cc2ccccc2)C1,-1.6559514999389648
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1405203342437744
+CCNc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5579614639282227
+CC[C@@H](C)C(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9642829895019531
+O=C(NCc1cccc(Cl)c1)N1CCO[C@]2(CCOC2)C1,-1.5334641933441162
+Cc1cc(F)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.09162175655365
+Cc1cc(C(=O)N2CC[C@H](Sc3ccc(F)cc3)C2)no1,-1.167993187904358
+Cc1ccccc1NC(=O)N1CCCC[C@@H]1N1CC[NH+](C)CC1,-1.0517032146453857
+O=C(N[C@@H]1CCOC[C@H]1c1ccc(F)cc1)N1CCCCCC1,-1.2807259559631348
+O=C(c1ccc(O)cc1Cl)N1CCC(Oc2ccccc2)CC1,-1.1132570505142212
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731301307678223
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)cc1,-1.408955693244934
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0110092163085938
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9273345470428467
+C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(I)c2)C1,-1.1805403232574463
+CCN1CC[NH+](C2CCN(C(=O)c3cccc(I)c3)CC2)CC1,-0.7974128127098083
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)cc1,-1.0507620573043823
+Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1F,-1.1149511337280273
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4610036611557007
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.2835826873779297
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.250977635383606
+O=CNCc1ccc(F)cc1,-1.9538185596466064
+O=C(NCCCc1ccc(Br)cc1)c1ccc(F)c(F)c1,-1.0006849765777588
+O=C([O-])C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4563710689544678
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8905362486839294
+CC(C)(C)C(=O)NCC1CCN(c2ccccc2O)CC1,-1.410256266593933
+O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(-c2ccc(F)cc2)cc1,-0.988705575466156
+O=C(Cc1cccc(Cl)c1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.3323619365692139
+Nc1ccc(CN2CCN(C(=O)C3CCCc4ccccc43)CC2)cc1,-0.7838732004165649
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)n[nH]1,-1.012381911277771
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1966638565063477
+Cc1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cn2)c1,-0.863654613494873
+[NH3+]C[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(Br)cc3)CC2)C1,-0.949864387512207
+O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCc2cc(Cl)ccc2C1,-0.7503635287284851
+Cc1[nH]c2ccccc2c(=O)c1C(=O)NCc1ccccc1,-0.9909030199050903
+O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(Br)c1,-1.1229357719421387
+Fc1ccc(OCc2ccccc2)c(-c2ccc(Br)cc2)c1,-1.139787197113037
+Cc1ccccc1-c1nc(COc2ccc(Cl)c(F)c2)no1,-0.8498296141624451
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9637110829353333
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,-1.0897473096847534
+Cc1cc([NH3+])ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1040533781051636
+O=C(O)CN1CCC[C@@H](NC(=O)Cc2ccccc2)C1,-1.6106293201446533
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9615047574043274
+Nc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1,-0.911371111869812
+c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.2776992321014404
+Cc1cc(C(=O)N[C@@H]2CCCCN2c2ncc(C)s2)no1,-0.9164310097694397
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9165462255477905
+Cc1cc(F)ccc1CNC(=O)CCc1ccc(Cl)cc1,-1.1201527118682861
+O=C(Nc1ccc(Br)cc1)N1CCC(c2ccccc2F)CC1,-0.8817343711853027
+O=C(Nc1cc(Cl)ccc1Cl)N1CCC([NH+]2CCCCC2)CC1,-0.6753250956535339
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4149383306503296
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6735093593597412
+Cc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1,-1.354312777519226
+O=C(Nc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1,-1.2018331289291382
+Cc1ccc(C)c(N2CCC(NC(=O)c3ccccc3)CC2)c1,-1.1097604036331177
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(I)cc2)cc1,-0.8782394528388977
+O=C(Cc1ccc2c(c1)CCCO2)NCc1ccccc1,-1.540172815322876
+Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(F)cc1,-0.9674889445304871
+O=C(NC[C@@H]1CCCCO1)Nc1cccc(Br)c1,-1.6076703071594238
+COc1cccc(C(=O)NCc2cnn(C)c2)c1,-1.610192894935608
+Cc1cnccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9525589346885681
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1848313808441162
+Clc1ccc(CC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.100024938583374
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)cc1,-1.1681886911392212
+Cc1cc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2[nH]1,-1.1259857416152954
+C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5600239038467407
+Cc1[nH+]cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.0885367393493652
+Cn1ncc(C(=O)Nc2cccc(N)c2)c1C1CCCC1,-0.9678167700767517
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.007436752319336
+O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(F)c(F)c1,-1.0702615976333618
+COc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1,-1.1963844299316406
+C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCC[NH+]2C)CC1,-1.1695910692214966
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9652426242828369
+O=C(c1ccc(F)nc1)N1CCCC[C@@H]1CCc1ccccc1,-1.2238185405731201
+Cc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,-0.5362808704376221
+Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1,-1.1989312171936035
+O=C1Cc2cc(NC(=O)Nc3ccccc3)ccc2N1,-1.527782917022705
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9709597229957581
+C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1Nc1ccc(F)cc1,-1.2631627321243286
+Cc1ccc(I)c(NC(=O)N2CCCC[C@H]2c2ccccc2)c1,-0.8989080786705017
+CCOc1ccc(NC(=O)c2cc(Br)[nH]n2)cc1,-1.5198533535003662
+O=C([C@@H]1CCOc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.8770795464515686
+Oc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4033174514770508
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1512502431869507
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2542788982391357
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0627405643463135
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.261755108833313
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-0.6364614367485046
+[NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.035207986831665
+CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1,-1.5632916688919067
+O=C(NC1CCN(c2cccc(Br)c2)CC1)c1ccccc1O,-0.9855964779853821
+Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1,-1.0296082496643066
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2058789730072021
+O=C(Cc1nc2ccc(F)cc2s1)NCc1ccccc1,-1.0786656141281128
+O=C(NC1C[NH+](C2CCCC2)C1)c1ccc2c(c1)CCC2,-1.1184704303741455
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ncccc1Cl,-0.7912997007369995
+Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)no1,-0.9992740750312805
+Fc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.193524956703186
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)C1,-1.1402559280395508
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.94655841588974
+O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1coc(-c2ccccc2)n1,-1.0658425092697144
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3690463304519653
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1116909980773926
+C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1cccc(Br)c1,-1.2191680669784546
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1512395143508911
+COc1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1,-1.6271889209747314
+CC(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CCCC[C@H]2C)C1,-1.0360431671142578
+O=C1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)CCN1,-1.1172009706497192
+C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1,-1.1799862384796143
+Cc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1,-1.0936250686645508
+Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](C3CCOCC3)C2)cc1,-1.1605808734893799
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(O)cc2)CC1,-1.3678793907165527
+Cc1ccc(NC(=O)[C@H]2CCC[NH+](C3CCCCC3)C2)c(Cl)c1,-0.9039694666862488
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.86788409948349
+Cc1cccnc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9206105470657349
+O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520355701446533
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9678987264633179
+CCc1cc(Br)c(F)cc1OCc1ccc(Cl)c(Cl)c1,-0.5257670283317566
+C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1,-0.9232711791992188
+O=C(Cc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1,-1.48408842086792
+CC1(C)CCN(C(=O)C2CCN(Cc3ccccc3)C2)C1,-1.5073943138122559
+Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)oc2c1,-1.0849343538284302
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700080394744873
+Cc1ccc(CNC(=O)c2cc(N)nc3ccccc23)s1,-0.7734538912773132
+Cc1ccc(C(=O)NCC(=O)N2CCc3ccccc32)cc1,-1.1519379615783691
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1412642002105713
+Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1466017961502075
+O=C(N[C@H]1CCCO[C@H]1C1CCCCC1)c1ccc(F)cc1F,-0.9550321102142334
+COc1ccc(N2CCN(C(=O)c3ccc([NH3+])cc3)CC2)cc1,-1.1646788120269775
+Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4200609922409058
+CCc1cccc(NC(=O)Nc2nnc(C)s2)c1,-1.2708967924118042
+O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,-1.5185282230377197
+Cc1cc(I)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.017612338066101
+O=C(Cc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1,-1.1713370084762573
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004197835922241
+CCCCC1CCCN(C(=O)OCc2ccccc2)C1,-1.628994345664978
+O=C(Nc1ccc(N2CCC(Br)C2=O)cc1)c1ccccc1,-1.0695785284042358
+Cc1cccc(C[NH+]2CCN(C(=O)c3cccnc3C)CC2)c1,-1.0395352840423584
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3228790760040283
+O=C(NC[C@H](O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1,-1.3074758052825928
+Cc1ncoc1C(=O)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.7029082775115967
+O=C(N[C@H]1CCCC[C@@H]1c1cccc(F)c1)c1ccccc1F,-1.005964994430542
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202208995819092
+Cc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1,-0.8481402397155762
+CC[C@@H](C)C(=O)NC[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.1944283246994019
+O=C(NC1CCCCC1)N1CCN(C(=O)C2=CCCCC2)CC1,-1.2754278182983398
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0027393102645874
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9745713472366333
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2274055480957031
+C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Br)c1,-0.8577819466590881
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3121912479400635
+O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)N[C@@H]1CCCOC1,-1.4073458909988403
+O=C(NCc1ccc(Cl)cc1)[C@H]1CC2(CCOCC2)CO1,-1.5332547426223755
+C[NH+]1CCC[C@H](C(=O)N2CCC[C@H](Cc3ccccc3Cl)C2)C1,-1.0298773050308228
+Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1,-0.9663835763931274
+Nc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2942602634429932
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3952791690826416
+CCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCC)cc1,-1.5374994277954102
+Cc1csc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n1,-0.7687395215034485
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1816562414169312
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-1.0439757108688354
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@@H](C)O1,-1.505285382270813
+Cc1ccc2c(c1)CCN(C(=O)N1CCN(c3ccc(F)cc3)CC1)C2,-0.5882560610771179
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2221705913543701
+O=C(c1cc(F)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0484853982925415
+O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C1=COCCCC1,-1.5572863817214966
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-1.015763759613037
+O[C@@H]1C[C@H](Cc2ccccc2F)[NH+](Cc2ccc(Cl)cc2)C1,-1.202669382095337
+C[C@H]1CCC[NH+](CCNC(=O)c2ccc3c(c2)CCO3)C1,-1.3355165719985962
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.297013282775879
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.138129711151123
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4672284126281738
+Cc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1,-1.4082168340682983
+O=C(NCCCc1ccccc1)N[C@H]1CCCC[C@H]1O,-1.6216274499893188
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0110797882080078
+O=C(Nc1ccc2c(c1)CN(c1ccccc1)C2)c1cccs1,-1.120302677154541
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1819862127304077
+O=C(NCc1cccc(Br)c1)c1ccc2c(c1)CCCC2,-1.0613950490951538
+O=C(Nc1cnc2nc[nH]c2c1)c1ccc(-c2nccs2)cc1,-0.8437307476997375
+O=C([O-])c1ccccc1C(=O)N1CCC[C@H](n2cccn2)C1,-1.1979624032974243
+Cc1cccc([C@@]2(NC(=O)C3CCCCC3)CCNC2=O)c1,-1.4053279161453247
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0258572101593018
+CN=C(O)c1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-0.9004217386245728
+O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1O,-1.6943305730819702
+Cc1cccc(CNC(=O)N2Cc3ccc(F)cc3C2)c1,-1.1173146963119507
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4328651428222656
+O=C(Nc1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.1085116863250732
+O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.542445421218872
+CN=C(O)C1CCN(Cc2ccc(C)cc2)C1c1ccc(F)cc1,-0.8834749460220337
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2F)CC1,-0.8882498145103455
+Cc1nc2ccc(CNC(=O)c3cccc(O)c3)cc2s1,-0.9749540090560913
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9593521356582642
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1935046911239624
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851319551467896
+Cc1ccc(N2CCC(NCc3cccc(C)c3)CC2)cc1,-1.3013107776641846
+O=C(Cc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1,-1.231958031654358
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0921319723129272
+Nc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1,-1.148126244544983
+[NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3Br)cc2)C1,-0.9274946451187134
+O=C(CN1CCOC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5176783800125122
+Fc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.214656114578247
+CC1(C)CCCN(c2ccc(OCc3ccccc3)cc2)C1,-1.5228074789047241
+C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.313523292541504
+CC1(C)CN(C(=O)Nc2ccc(C(=O)O)cc2)CCO1,-1.5715094804763794
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1,-0.9581870436668396
+O=C(c1cccc(F)c1O)N1CCN(Cc2ccccc2)CC1,-1.1033899784088135
+Cc1cccnc1Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.0395337343215942
+O=C(c1ccccc1F)N1CCN(Cc2cccc(O)c2)CC1,-1.1285244226455688
+Cc1ccc(CCNC(=O)Cc2cc3ccccc3[nH]2)s1,-1.2849875688552856
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9730982184410095
+O=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1ccc(F)cc1,-0.9762075543403625
+Cc1nnc2n1CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.707602322101593
+O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2I)CC1,-0.904422402381897
+CCOC(=O)c1ccc(NC(=O)C(C)I)cc1,-1.4948769807815552
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0109143257141113
+O=C(NC1CCOCC1)[C@H]1CCCN(c2ccc(F)cc2)CC1,-1.3922947645187378
+C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1,-1.1500056982040405
+Nc1ccc(C(=O)NCc2cc3ccc(F)cc3o2)cc1,-1.1296451091766357
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0786948204040527
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1,-1.098577857017517
+C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2cccc(Cl)c2)cc1,-0.8807342052459717
+C[C@@H](NC(=O)CCc1ccc(Br)cc1)c1ccc(Br)cc1,-1.093360185623169
+O=C(NCCC[NH+]1CCc2cc(Cl)ccc2C1)c1ccccc1,-1.1265674829483032
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.1147524118423462
+CNc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1,-1.1326074600219727
+O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC1CCCCC1,-1.2084459066390991
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8273119926452637
+Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)CC(=O)[O-])CC2)cc1,-1.2605621814727783
+O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,-1.3255399465560913
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.200147271156311
+c1ccc(CN2CCC(c3nc(-c4ccccc4)co3)CC2)cc1,-1.3264013528823853
+O=C(COCc1ccccc1)N1CCN(CCO)CC1,-1.6831245422363281
+C[C@@H]1C[C@H](C)CN(C(=O)C(=O)NCc2ccccc2)C1,-1.4707798957824707
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9043087363243103
+CC1(C)C[NH+](C[C@H]2CCCN(C(=O)c3ccnnc3)C2)C1,-1.1742216348648071
+CC(C)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.6519966125488281
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.3327500820159912
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1658148765563965
+Cc1ccc(CC2CCN(C(=O)C3(O)CCCC3)C2)cc1,-1.5297551155090332
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1710408926010132
+Cc1cccc(C(=O)Nc2cc(-c3ccccc3)ccc2F)c1,-1.0976440906524658
+Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1,-1.4171874523162842
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8872610926628113
+Cc1ccc(N2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)cc1,-0.6848952770233154
+O=C(c1ccc(Cl)cc1)N1CCN(CC2CCCCCC2)CC1,-1.0782009363174438
+O=C(N[C@H]1CCCC[C@@H](c2ccc(I)cc2)C1)c1ccccc1,-1.2473950386047363
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(Br)c2)o1,-1.3431187868118286
+Cc1ccc(CCN2CCN(C(=O)c3ccccc3)CC2)cc1,-1.4276401996612549
+O=C(NCc1ccc(F)c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.7803444266319275
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012625694274902
+Cc1ccc(-c2ccccc2)cc1C,-1.7356815338134766
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3665990829467773
+O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCCC1,-1.468205451965332
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0855863094329834
+CC(C)(Cc1ccc(N)cc1)C(=O)Nc1ccc(F)cc1,-1.441117525100708
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nc2)cc1,-0.942934513092041
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.1001205444335938
+Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.157380223274231
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3420093059539795
+Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.1080189943313599
+Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1,-1.146420955657959
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)CC2)cc1,-1.343978762626648
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9597407579421997
+O=C(c1cccc2cc(O)ccc12)N1CCN(c2ccc(F)cc2)CC1,-0.6643363237380981
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCc2ccc(F)cc2C1,-0.502108097076416
+C[C@@H]1CN(c2ccc(F)cc2)CCN1C(=O)NC(C)(C)C,-0.9438685774803162
+O=C(C[NH+]1CCOCC1)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.25778067111969
+O=C(CCCOc1ccccc1OC(F)(F)F)N1CCCCC1,-1.4712332487106323
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-1.0761778354644775
+O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]1c1ccc(F)c(F)c1,-0.7129494547843933
+CC(N)C(O)=NCc1ccc(OCc2ccccc2)cc1,-1.555814266204834
+C[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.356006145477295
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1757113933563232
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9044444561004639
+CC(C)(C)C(=O)N1CCCC1(C)C,-1.702326774597168
+CCc1csc(N2CCCN(C(=O)c3ccc(O)cc3)CC2)n1,-1.0579627752304077
+O=C(N[C@H]1C(=O)NCC[C@H]1c1ccccc1)c1ccccc1,-1.421054482460022
+O=C(O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9577195644378662
+O=C(Cc1ccc(Br)c(F)c1)NC[C@H](O)c1ccccc1,-1.2387970685958862
+Fc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1Cl,-1.042332410812378
+O=C(C[C@H](O)COc1ccccc1)Nc1ccc(Cl)cc1,-1.5518702268600464
+Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)c(Cl)c1,-0.9980762004852295
+O=C([O-])CC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2F)CC1,-0.9412165880203247
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0273215770721436
+O=C(NCCCF)c1ccc(C[NH+]2CCOCC2)cc1,-1.6042110919952393
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1866528987884521
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC(=O)C2)cc1,-1.4164485931396484
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1614623069763184
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1754053831100464
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CC2CCCC2C1,-1.1885548830032349
+O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1Cl,-0.8104928135871887
+COC1CCN(c2ccc(C[NH+]3CCC(C)(C)C3)cc2)CC1,-1.4267687797546387
+O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(O)cc1,-0.8899527788162231
+Cc1ccc(OCC[NH+]2CCC(c3noc(C)n3)CC2)cc1,-1.3197859525680542
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0267646312713623
+O=C(Cc1ccc(Cl)cc1)NC[C@H]1C[C@@H]1C1CCOCC1,-1.313113808631897
+Nc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.183670997619629
+c1ccc(Oc2ccc(-c3nnnn3-c3ccccc3)cc2)cc1,-1.151060938835144
+O=C(c1ccccc1)N1CCO[C@]2(CCCN(c3ccc(F)cc3)C2)C1,-1.156066656112671
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5683283805847168
+C[C@@H](NC(=O)C1CCOCC1)C(=O)N1CCCC12CCCC2,-1.3683167695999146
+CCCCN=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0279829502105713
+CC(C)(F)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.584965705871582
+Nc1ccc(CNc2ccc(-c3cccc(F)c3)cc2)cc1,-1.217142105102539
+C[C@@H]1C[C@H](NC(=O)c2ccccc2I)CCN1c1ccccc1,-0.898935079574585
+CC1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3665332794189453
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9893410205841064
+CC(C)(O)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.6124165058135986
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1C,-0.5410563349723816
+Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1,-1.0324817895889282
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.44247567653656
+Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1F,-1.059163212776184
+CCc1ccc(C(=O)NCc2ccc(Br)cc2)s1,-1.3308885097503662
+Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.3573631048202515
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273582339286804
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9374622702598572
+CC1N(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1F,-0.9519459009170532
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.104840874671936
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1519781351089478
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1492971181869507
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.8983317017555237
+O=C(CCc1ccc(O)cc1)NCc1ccc(O)c(O)c1,-1.5042282342910767
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0625977516174316
+C[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-0.9787547588348389
+O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccc(Br)cc2O1,-1.0184599161148071
+Cc1ccc(NC(=O)N2CCCC[C@H]2C2CCOCC2)c(F)c1,-0.9982507824897766
+C[NH+]1CCN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.3214309215545654
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3O)cc2)cc1,-1.319476842880249
+[NH3+]CCS(=O)(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1,-1.3514100313186646
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Cl)cc1)C2,-0.6487228274345398
+CC(C)(O)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.5685614347457886
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9118202328681946
+c1ccc(-c2ccc(CN3CCCC3c3ccccc3)cc2)cc1,-1.477494716644287
+O=C(N[C@@H]1CCC[C@H](c2ccccc2F)C1)N1CCC(O)CC1,-1.0237271785736084
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.18764066696167
+Cc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1,-1.0718210935592651
+O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1,-1.2752456665039062
+O=C(NCc1ccccc1I)N[C@H]1CC12CCC2,-1.4448981285095215
+Cc1ccc(-c2nc(NC(=O)c3csc(C)n3)cs2)cc1,-0.902739405632019
+C[NH+]1CCC[C@H](NC(=O)N2CCC(CC(C)(C)O)CC2)C1,-1.490227222442627
+CC(C)(O)CC(=O)OCc1ccccc1N1CCOCC1,-1.5908929109573364
+O=C(NCCc1ccccc1)c1ccc(I)cc1,-1.5050978660583496
+Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1,-1.2888102531433105
+Cn1nc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.8765974640846252
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3379024267196655
+O=C1C[C@@H](C[NH2+]C2CCCCC2)CN1c1ccc(Br)cc1,-1.0921939611434937
+Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2112226486206055
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0402510166168213
+Cn1cc(C(=O)NCc2ccc(I)cc2)c2ccccc21,-0.9288882613182068
+CC(C)C(=O)N1CCC(NC(=O)c2ccc(Cl)cc2F)CC1,-0.6598835587501526
+CCOc1ccccc1CN1CCN(C(C)C)CC1,-1.5663238763809204
+Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCOCC2)CC1,-1.0544750690460205
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.1645824909210205
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F,-0.787695586681366
+O=C(c1ccc(Cl)c(Br)c1)N1CCC(Cc2nccs2)C1,-0.7790581583976746
+O=C(NCc1cc(Br)ccc1O)c1ccc2c(c1)OCO2,-1.0347179174423218
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1229000091552734
+CCOc1ccc(NC(C)CN2CCOCC2)cc1,-1.6540074348449707
+[NH3+][C@@H]1COC2(CCCCC2)C1,-1.9447553157806396
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9602237939834595
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9033094644546509
+N#Cc1ccc(CNC(=O)Cc2ccc(I)cc2)cc1,-1.391197681427002
+N#Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1,-1.4824602603912354
+CC1CCC(c2noc(COc3ccc(F)cc3Cl)n2)CC1,-0.7339649796485901
+O=C(Nc1ccc(Cl)cc1F)c1ccccc1N1CCOCC1,-0.9233394861221313
+O=C(NC1CCC(c2ccc(F)cc2F)CC1)C1CC[NH2+]CC1,-0.9039480686187744
+C#CCN=C(O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.5353959798812866
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0764625072479248
+CC1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1c1ccc(F)cc1,-0.41894078254699707
+O=C([C@@H](Cl)c1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.3080424070358276
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.4263396263122559
+CCCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCCC3)C1,-1.4203490018844604
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[C@H]1c1ccccc1,-1.1061753034591675
+Cc1cc(C(C)C)ccc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1,-1.0419189929962158
+O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc(Br)c(F)c1,-0.8909475207328796
+OC1(Cc2ccccc2)CC[NH+](Cc2ccc(F)cc2)CC1,-1.5373280048370361
+O=C(Nc1ccc(O)nc1)N1CCN(c2ccccc2F)CC1,-1.014661431312561
+Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c1,-1.0904486179351807
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9437872767448425
+CC1(O)CC[C@H]([C@@H]2CCCN2C(=O)Nc2ccccc2)C1,-1.524295449256897
+Cc1c(F)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0216422080993652
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6346855163574219
+CC1CC[NH+](CCCNC(=O)CCc2ccccc2)CC1,-1.6100603342056274
+O=CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.677763819694519
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1896181106567383
+Cc1ccc2cc(NC(=O)N3CCC[C@H](C4CCOCC4)C3)ccc2n1,-0.8347428441047668
+OC(CNc1ccc(N2CCCC2)cc1)c1ccc(F)cc1,-1.3395402431488037
+O=C(Nc1ccc(N2CCOCC2)cc1)C(O)=Nc1ccc(F)cc1,-1.1547329425811768
+Cc1cccc(-c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)c1,-1.1574599742889404
+O=C(NCc1ccc2[nH]c(O)nc2c1)c1ccc(Cl)cc1,-0.991062581539154
+Cc1ccc(CNC(=O)c2ccc3c(c2)ncn3C)cc1,-1.0937575101852417
+O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1Cl,-0.8452616333961487
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1965020895004272
+O=C(CCCc1ccc(Cl)cc1)NCc1ccc(F)cc1,-1.4562684297561646
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.8742536306381226
+O=C1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,-0.8533422350883484
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.298901915550232
+O=C(c1cccs1)N1CCC(c2noc(-c3cccs3)n2)CC1,-0.9010025858879089
+COc1ccc(NC(=O)N2CCOC3(CCOCC3)C2)cc1C,-1.4864436388015747
+O=C(Nc1ccccc1Br)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.972042441368103
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.5369092226028442
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9952645301818848
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604664325714111
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.883056640625
+Cc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.09311842918396
+Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cn1,-0.9775431752204895
+O=C(c1cccc(F)c1)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1,-1.1387063264846802
+O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.3415984809398651
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053722023963928
+CC[NH+]1CCC[C@@H](CNC(=O)c2ccc(C)s2)C1,-1.5116629600524902
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.040284276008606
+Cc1ncsc1NC(=O)C[NH+]1CCC[C@@H]1c1ccccc1,-1.199211835861206
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5272841453552246
+NC1CCCCN(C(=O)N2CCN(Cc3ccccc3)CC2)C1,-1.269424557685852
+Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1C,-1.1052217483520508
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0772500038146973
+O=C(NCc1ccc(Br)cn1)Nc1ccccc1,-1.5361683368682861
+O=C(Nc1ccc(N2CCOCC2)cc1)N1C[C@H]2CCC[C@@H]2C1,-1.1839158535003662
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536595106124878
+Cn1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1,-1.0655556917190552
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)s1,-0.914976954460144
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7370983362197876
+CC[C@@H]1CCCCN1C(=O)NCc1csc(C)n1,-1.2226927280426025
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.3263286352157593
+CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.3900402784347534
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9709835648536682
+Cc1ccc(CC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1,-1.4876419305801392
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700160264968872
+C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.169278860092163
+Cc1cc(CNC(=O)CN2CCN(C)C2=O)ccc1Cl,-1.024711012840271
+Cc1ccc(C2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1,-0.8318725824356079
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1,-1.329818844795227
+Nc1cccnc1NC1CCN(C(=O)c2ccc(F)cc2)CC1,-0.8765323758125305
+C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1,-0.9548585414886475
+Cc1cccc(CNC(=O)Cc2nc3ccccc3s2)c1,-1.1636430025100708
+Cc1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2600244283676147
+O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F,-0.9520856738090515
+Cc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.061862587928772
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-1.010074257850647
+Nc1cc(Cl)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-0.9680969715118408
+CCN1CCN(C(=O)c2ccc(N3CCCC(C)C3)cc2)CC1,-1.024457335472107
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccccc1,-1.2294219732284546
+Cc1ccc(NCc2ccc(Cl)cc2)cc1-c1ccccc1,-1.1842933893203735
+CC(C)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0690094232559204
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.181502103805542
+Fc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1Cl,-1.0410280227661133
+Cc1ccc(C(=O)N2CCCC(C(O)=NCc3ccccc3)C2)cc1,-1.1228879690170288
+O=C1CCCN1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0042003393173218
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.365482211112976
+Nc1ccc(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)cc1,-1.0863170623779297
+O=C([O-])CC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1,-0.8937187790870667
+C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(N)cc1,-1.1273447275161743
+NC(=O)COc1ccccc1N1CCN(c2ccccc2)CC1,-1.3476507663726807
+CC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1,-1.157982349395752
+CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.667293906211853
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0344302654266357
+Cc1ccccc1C(=O)NC1CCN(c2ccc(N)cc2)CC1,-1.055262565612793
+CC(=O)Nc1ccc(CNC2CCNCC2)cc1,-1.6407458782196045
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531216025352478
+O=C(NC[C@H]1CCC[C@H]([C@H]2CCCCO2)C1)C1=CCOCC1,-1.5164132118225098
+CC(O)C[NH+]1CCN(C(=O)NCCC2CC2)CC1,-1.633528470993042
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCC(O)(c2ccccc2)CC1,-1.2959851026535034
+Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.118829607963562
+O=C(NCc1ccccc1)C(=O)c1ccc(F)c(F)c1,-1.4257903099060059
+Cc1ccc(F)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.2224926948547363
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4993605613708496
+Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)cn2)cc1,-0.9630873799324036
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.2548426389694214
+O=C(Cc1ccc(F)cc1)N1CCC(c2ccc(F)c(F)c2)CC1,-0.7293412685394287
+CC(Nc1cn(C)nc1-c1ccc(F)cc1)c1ccccc1,-1.1107423305511475
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1936742067337036
+CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5319629907608032
+CC(C)[S+]([O-])[C@@H](C)Oc1ccc(C[NH+]2CCCCC2)cc1,-1.4951837062835693
+FC(F)(F)c1ccc(Nc2nnnn2-c2ccccc2)cc1,-0.9390016794204712
+CCc1nc(C(=O)NCc2ccc(Br)cc2)cs1,-1.1503759622573853
+CC(=O)N1CCC(NC(=O)Cc2cccc(F)c2)CC1,-1.3456826210021973
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1252011060714722
+C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccs3)C2)CC[NH+]1C,-1.078539490699768
+O=C(CN1C(=O)c2ccccc21)Nc1ccccc1N1CCOCC1,-1.0455478429794312
+O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C(O)=NC2CCC2)C1,-0.6585558652877808
+Cc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.2340222597122192
+Cc1ccc(C)c(NC(=O)C2CCN(c3ccccc3)CC2)c1,-1.0985907316207886
+Cc1ccc(-c2ccc(F)cc2)c(NCc2ccccc2)n1,-1.0749597549438477
+O=C(CCc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.3434456586837769
+Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)c(C)c1,-1.0412989854812622
+Cc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2)c1,-1.0517585277557373
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2843436002731323
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1,-1.047905445098877
+O=C(Nc1ccccc1F)N1CCC(c2ccc(Br)cc2)CC1,-0.8757343888282776
+C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2160682678222656
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9837930202484131
+CN(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1O,-1.5726702213287354
+CC1(C)CCCC[C@@H]1NC(=O)N1CCC(c2ccccc2)CC1,-1.1816915273666382
+Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.2394787073135376
+Cn1cc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Cl)c2)cn1,-1.0935169458389282
+O=C(NCc1ccccc1)Nc1ccc(Cl)cn1,-1.590973138809204
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101641058921814
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1475001573562622
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9968578815460205
+O=C(CNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1,-1.0960568189620972
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1O,-1.0623915195465088
+O=C(Nc1cccc(O)c1)N1CCCN(c2ccccc2)CC1,-1.4033249616622925
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9330468773841858
+Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)c2cnn(C)c2)cc1,-1.1117167472839355
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n1,-0.9415051937103271
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.8347756266593933
+Fc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)cc1,-1.164129376411438
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.366929531097412
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCCO2)C1,-1.5140970945358276
+Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCOCC2)cc1F,-1.1942247152328491
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1998426914215088
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-1.022172451019287
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9769108295440674
+Cc1cc(NC(=O)COc2ccccc2F)c(Cl)cc1Br,-0.7622541785240173
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.264999508857727
+O=C(c1ccc(Cl)cc1)N1CCC(C(O)=NCc2ccccc2)CC1,-1.007550835609436
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0716235637664795
+Cc1ccc(CCCCC(=O)NCc2ccn(C)n2)cc1,-1.5420966148376465
+Cc1ccc(C)c(CN2CCN(C(=O)c3ccccc3)CC2)c1,-1.1676560640335083
+Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1502004861831665
+Nc1cccnc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.816676914691925
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5356257557868958
+O=C(CCCc1nn[n-]n1)Nc1ccc(-c2ccccc2)cc1,-1.309432029724121
+O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.8842008709907532
+O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9274088740348816
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.463687539100647
+C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1,-1.294188141822815
+CC(C)Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1,-1.0140165090560913
+CC1(C)CC[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Br)cc1,-1.0420671701431274
+Nc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0914942026138306
+Cc1ncc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)s1,-0.8945350646972656
+Cc1ccc(Br)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.0187879800796509
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.348364233970642
+CC1(C)CC(NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.5279273986816406
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0775774717330933
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.3827567100524902
+Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0563629865646362
+COc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1,-1.643228530883789
+O=C(NCc1cccc(F)c1)c1csc2ccc(F)cc12,-0.9043359160423279
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nc2)c(F)c1,-0.9260154366493225
+O=C(c1ccc(F)cc1F)N1CCC[C@@H](Cc2ccccc2)C1,-1.001606822013855
+Cc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(O)CC2)cc1,-1.2510511875152588
+O=C([O-])c1ccc(C(=O)N[C@H]2C[C@H]2C2CCCC2)cc1,-1.2747211456298828
+Cc1cc(O)ccc1NC(=O)c1cccc(C(F)(F)F)c1,-1.0189741849899292
+O=C(Cc1cccc(O)c1)NCc1nc2ccccc2[nH]1,-1.280108094215393
+CC(C)C[NH+]1CCN(C(=O)N2CCN(C3CCCC3)CC2)CC1,-1.146775484085083
+Nc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.3317599296569824
+CC(=O)N1CCC(NC(=O)c2ccc(N)c(C)c2)CC1,-1.0875674486160278
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3750756978988647
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9960111975669861
+O=C(c1ccccc1O)N1CCC[C@H](Cc2ccc(F)cc2)C1,-1.1145122051239014
+[NH3+]CCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.2588224411010742
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.008908987045288
+Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.1212637424468994
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0933529138565063
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3428027629852295
+Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n1C,-1.0175495147705078
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3442094326019287
+O=C(Nc1nnc2ccccn12)c1ccc(-c2nccs2)cc1,-0.8491859436035156
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238682270050049
+CC(C)c1nc(C(=O)NCC2CCOCC2)cs1,-1.3569166660308838
+C[C@@H](O)CNC(=O)c1ccc(-c2cnc3ccccc3n2)cc1,-0.9274979829788208
+Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1,-0.9930415749549866
+O=C(NCc1ccc(O)cc1)c1cc2cc(F)ccc2[nH]1,-1.2740525007247925
+CCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1C,-0.6767403483390808
+O=C(Nc1ccc(Br)cc1)c1ccc(CC(F)(F)F)cc1,-1.0656063556671143
+CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1,-1.1365694999694824
+Fc1ccc(COc2ccc(-c3ccc(Br)cn3)cc2)cc1,-1.0765249729156494
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1416343450546265
+Cc1cnc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)s1,-0.9161412715911865
+CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)cc3)C2)CC1,-0.964539110660553
+O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.2690479755401611
+O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2ccc(F)cc2)C1,-0.9214001893997192
+CCc1ccccc1NC(=O)C[C@@H](CC(C)C)c1ccccc1,-1.378010630607605
+CCNc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.2004008293151855
+Cc1ccc(C(=O)NCC2CCC3(CCCO3)CC2)nc1,-1.502612590789795
+O=C(CCc1cc[nH+]cc1)N1CCN(Cc2ccccc2)CC1,-1.526779294013977
+Nc1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1,-0.8772098422050476
+Cc1ccc(CCNC(=O)c2ccc3c(c2)CCN3)cc1,-1.251089334487915
+O=C(Nc1cccc(Cl)c1Cl)c1cccc(-c2ccccc2)c1,-0.8739073276519775
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846087694168091
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CCC[C@H]2CCC[C@@H]21,-1.0036687850952148
+Cc1ccc(NC(=O)c2ccccc2N2CCCCC2)c(Cl)c1,-1.0134575366973877
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1580009460449219
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.0967628955841064
+c1ccc(-c2noc(CN3CC[NH+](C4CCOCC4)CC3)n2)cc1,-1.2754707336425781
+CCOc1ccc(NCCN2CCN(C)CC2)cc1,-1.6376702785491943
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1279213428497314
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0644303560256958
+Cc1cc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2C)n(C)n1,-0.7198212742805481
+Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3739228248596191
+Cc1cccc(CCC(=O)c2c(-c3ccccc3)nc3ccccn23)c1,-0.8592239618301392
+CC(=O)N1CCN(C(=O)c2ccc(-c3cn[nH]n3)cc2)CC1,-0.9890072345733643
+O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCC(O)CC1,-1.0975040197372437
+Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(Cl)c1,-0.9192165732383728
+CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-1.5043483972549438
+Cc1ccccc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1,-1.0441595315933228
+COc1ccc(CNC(=O)c2ccc(C)[nH]2)cc1,-1.6252524852752686
+CC1(NC(=O)c2ccc(Br)cc2F)CC[NH+](C2CC2)CC1,-0.8293183445930481
+Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.10338294506073
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C)[C@@H]1c1ccccc1,-1.1589884757995605
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3797056674957275
+Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1O,-1.4578710794448853
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8821396231651306
+C[C@@H]1C[NH+](Cc2cccc(O)c2)CCN1Cc1ccccc1,-1.4914476871490479
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0717637538909912
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0646723508834839
+CC(C)(O)CNC(=O)N1CCC(c2ccc(Br)cc2)CC1,-1.2638039588928223
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.177714228630066
+Cn1nc(N2CCN(C(=O)Cc3ccccc3F)CC2)c2ccccc21,-0.5319797396659851
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820198774337769
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1955397129058838
+Nc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.5361379384994507
+O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CC2CCOCC2)CC1,-0.869830846786499
+O=C(c1ccc(F)c(F)c1)N1CCN(c2cccc(F)c2)C1=O,-0.5854543447494507
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.12385892868042
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1475592851638794
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846132397651672
+C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC[NH+](C)CC1,-1.3340964317321777
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.8778663873672485
+C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1,-1.3023656606674194
+CCc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.0840909481048584
+O=C(N[C@H]1CCN(c2nc3ccccc3s2)C1)c1ccccc1,-0.9787227511405945
+O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc(Br)cc1,-1.2811921834945679
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502578496932983
+COc1ccc(N2CCN(C(=O)c3cccc(N)c3)CC2)cc1,-1.2334370613098145
+O=C(Cc1ccccc1)N1CCN(c2ccc3c(c2)CCCCC3)CC1,-0.9577396512031555
+CC(C)(CC(=O)NCc1ccccc1)[NH+]1CCC[C@@H](O)C1,-1.5616121292114258
+CCC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.2353986501693726
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9890230894088745
+NC(=O)c1cc(F)ccc1NC(=O)c1ccc(F)cc1,-1.0296783447265625
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.1530855894088745
+CC1CCC(C(=O)NC2CCN(c3ccccc3Cl)CC2)CC1,-0.8770121335983276
+C[NH+]1CC[C@@H](NC(=O)NCCc2ccccc2)C1,-1.6810318231582642
+CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.3253142833709717
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cl)no2)CC1,-1.0696333646774292
+Cc1nccnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-0.9812055826187134
+CN1CCN(c2ccc(-c3nc(-c4ccc(C#N)cc4)no3)cc2)CC1,-0.6943190693855286
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(F)c2)n[nH]1,-0.9685436487197876
+NC(=O)c1ccc(-c2ccccc2)o1,-1.7698891162872314
+CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.4146238565444946
+O=C(c1ccc(F)nc1)N1CCc2ccc(-c3ccc(F)cc3)cc2C1,-0.48890039324760437
+CCc1ccc(CC(=O)N2CCN(C(=O)C(C)C)CC2)cc1,-1.1407407522201538
+O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1,-1.0722061395645142
+Cc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cn1,-1.4961482286453247
+Cc1ccccc1C(=O)N[C@H]1C[NH+](C)CC[C@@H]1c1ccccc1,-1.087572455406189
+O=C(c1ccc(Cl)cc1)N1CC(Oc2ccc([O-])cc2)C1,-1.281196117401123
+CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1,-1.2357624769210815
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(C)cc2)C1,-1.3538353443145752
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.006186604499817
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1841539144515991
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.0426708459854126
+C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)CCN1c1ccccc1,-1.1241073608398438
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9430869221687317
+C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CCCO1,-1.485336184501648
+O=C(OCC(F)(F)F)c1ccc(-c2ccc(Br)cc2)cc1,-1.1083797216415405
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2331923246383667
+O=C(NC1CCC(N2CCCC2=O)CC1)c1ccc(F)cc1,-1.1270508766174316
+COc1ccccc1CCC(=O)NCc1ccccc1,-1.6285412311553955
+Cc1cc(NCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.0327156782150269
+O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1,-1.3995647430419922
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1,-1.0695030689239502
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.010153889656067
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-0.9791447520256042
+COc1ccccc1N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.9715458750724792
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9667142629623413
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.061023235321045
+c1cncc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1,-0.9959690570831299
+Cc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1O,-1.0991588830947876
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1733306646347046
+O=C(CCCOc1ccc(F)cc1)Nc1ccc(F)cc1,-1.5345838069915771
+O=C(NCc1ccccc1)Nc1ccc(O)cn1,-1.660117268562317
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6199034452438354
+O=C(Nc1ccccc1O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0657331943511963
+Cc1ccc(C2CC(NC(=O)c3ccc(F)cc3)C2)cc1,-1.3075188398361206
+C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C(=O)N2CCCC[C@H]2C)CO1,-1.3957747220993042
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.2978990077972412
+Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1,-1.1113340854644775
+Cc1ccc(-c2cccnc2NCc2ccc(Br)cc2)cc1,-1.0077588558197021
+Nc1cnc(-c2ccccc2)nc1NCc1ccc(Cl)cc1,-0.8538551330566406
+O=C(NCc1ccc(Cl)cc1)N1CCO[C@]2(CCOC2)C1,-1.520271897315979
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0618301630020142
+Cc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1,-1.0989423990249634
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8909385800361633
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1841580867767334
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571055173873901
+O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1,-0.8654805421829224
+O=C1NCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1c1cccc(Cl)c1,-0.8875365257263184
+c1ccc2nc(COc3ccc(N4CCOCC4)cc3)ccc2c1,-1.1899616718292236
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0693827867507935
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1340880393981934
+CC(=O)N1CC[C@H](C)[C@@H](C)C1,-1.780564308166504
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5096254348754883
+CCOC(=O)CCCCNC(=O)[C@H]1CCC[C@H](C)C1,-1.6362117528915405
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1,-1.2028309106826782
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2996602058410645
+O=C(Nc1ccc(O)cc1)N1CCN(c2cccc(Cl)c2)CC1,-1.0851143598556519
+Cc1ccccc1CCN(C)Cc1ccc(Cl)cc1,-1.496626615524292
+O=C(Nc1ccccc1)C(=O)Nc1ccc(Cl)c(Br)c1,-1.182631492614746
+O=C(c1ccccc1)C1CCN(Cc2ccc(F)cc2F)CC1,-0.9842408895492554
+O=C(Cc1ccccc1)Oc1ccc(-c2ccc(Br)cc2)cc1,-1.34075927734375
+CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9725810289382935
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.2124998569488525
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCOCC2)cc1,-1.1399261951446533
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1472700834274292
+CC(=O)OCc1ccccc1,-1.9641677141189575
+CC(=O)N1CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1,-1.0684136152267456
+O=C(c1ccc(F)cc1F)N1CCN(CC2CCCCC2)CC1,-0.9703414440155029
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.1294480562210083
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.016196608543396
+O=C(Nc1ccc(O)cc1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1192964315414429
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2s1,-0.8574482202529907
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140239238739014
+Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1786046028137207
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N1CC[C@@H](F)C1,-1.0261807441711426
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9433679580688477
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.293474793434143
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1853140592575073
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9545575380325317
+Nc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8398028016090393
+C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1,-0.5962393879890442
+CC(Cc1ccccc1)NCCOc1ccccc1,-1.7045704126358032
+O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(Br)c1,-1.1229336261749268
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(C2CCCC2)cc1,-1.0738626718521118
+Nc1ccc(C(=O)NCc2ccc3c(c2)CCO3)c(F)c1,-1.0199733972549438
+C[NH+]1CCN(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)C1,-1.5335578918457031
+Cc1cc(CNC(=O)N2CC3CCCCC3C2)ccc1Cl,-0.8847821950912476
+CN1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.6587873697280884
+Cc1ccccc1CSc1nc2ccccc2n1C1CCOCC1,-0.9679584503173828
+O=C(NCc1ccc(F)cc1)[C@H]1CCC2(CCOCC2)C1,-1.5341298580169678
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.08164381980896
+Cc1ccc(NC(=O)N2CCN(C(=O)C(C)C)CC2)c(C)c1,-0.9210497140884399
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2[nH]cnc2c1,-1.0769703388214111
+CC(C)[C@@H](C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.0345709323883057
+CN(C(=O)c1cccc(Cl)c1)C1CCN(c2ccccc2)CC1,-0.981816291809082
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)nc2)cc1,-1.3129627704620361
+CC1(C)CCN(C(=O)NCc2ccc(Cl)c(F)c2)C1,-1.0450509786605835
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904700994491577
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.899819552898407
+CC(=O)C(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1,-1.5260732173919678
+O=C(CC[NH+]1CCc2cc(Br)ccc2C1)NCc1ccccc1,-1.1721177101135254
+O=C(Cc1ccccc1)N1CCC[C@@H](Cc2ccc(F)cc2)C1,-1.492977261543274
+Fc1ccc(CCNCC2CCCO2)cc1Cl,-1.6081405878067017
+NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.0308760404586792
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0082077980041504
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8760208487510681
+O=C(C1CCC(c2ccccc2)C1)N1CCN(c2ccc(Cl)cc2)CC1,-0.7812733054161072
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCC12CCOCC2,-1.357435941696167
+C[C@H]1CC2(CCO1)CCN(C(=O)NCC1CCOCC1)C2,-1.5760412216186523
+CC(C)(C(=O)Nc1ccccc1)C(O)=NCc1ccc(Cl)cc1,-1.4018261432647705
+CCN1CCN(C(=O)[C@H]2CCCN(c3ccc(F)cc3)C2)CC1,-1.042006254196167
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.3126968145370483
+COc1ccc(NC(=O)[C@@H]2CC[NH+]2C2CC2)cc1,-1.5584297180175781
+O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2o1,-1.2499806880950928
+C[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3F)cc2)CC1,-1.152925729751587
+CCC(=O)OCc1ccccc1,-1.970267415046692
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5128850936889648
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-0.9077010750770569
+CC1(C)CC[NH+](CC(=O)NCc2ccc(Br)cc2)C1,-1.5001959800720215
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.074403166770935
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3213376998901367
+O=CN1CCN(c2cccc(Cl)c2)CC1,-1.6493905782699585
+CC1(C)CN(C(=O)[C@H]2CCC[NH+]2Cc2cccs2)CCO1,-1.4443153142929077
+Fc1cc(-c2ccccc2)cc(Cl)c1OCc1ccccc1,-1.0907354354858398
+c1cc(N2CCCCC2)ccc1C[NH+]1CCC(c2nn[n-]n2)CC1,-1.001651644706726
+Cc1ncc(C(=O)N[C@@H]2CC[C@H]([NH+]3CCC(C)CC3)C2)s1,-0.983616292476654
+Cc1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)s1,-1.5362560749053955
+CC1CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1,-1.5532939434051514
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc([NH+]2CCCCC2)cc1,-0.7669820189476013
+O=C(NCCCc1ccccc1)N[C@H]1CCCC[C@H]1O,-1.6219172477722168
+O=C(CCCO)NC1CCN(C(=O)c2cccc(Br)c2)CC1,-1.3295201063156128
+O=C1NCCCN1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9808735251426697
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9876906871795654
+CN1CCCN(c2ncccc2C(=O)Nc2ccccc2)CC1,-1.2299754619598389
+COc1ccc(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9091072082519531
+Cc1ccc(C(=O)N2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cc1,-0.8087854981422424
+O=C(Cc1cccc(Br)c1)N[C@H]1C[C@H](c2ccccc2)C1,-1.347032070159912
+O=C(NCc1ccccc1)c1ccc(CCCBr)cc1,-1.518099069595337
+O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)nc1,-0.8031613230705261
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.1493170261383057
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.20880126953125
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-0.8671121001243591
+O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2528284788131714
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.5384483337402344
+O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1,-0.849440336227417
+O=C(NC[C@H]1CCCCO1)c1c[nH+]c(C2CC2)[nH]1,-1.6150403022766113
+C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1F,-0.955638587474823
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5105646848678589
+O=C(NCc1ccc(I)cc1)N1CCOC2(CCCC2)C1,-1.4273841381072998
+CCN1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.881365954875946
+O=C(Nc1cc(F)ccc1Cl)c1ccc(N2CCCCC2)nc1,-0.7182930707931519
+Nc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.3595492839813232
+O=C(Nc1ccccc1)N1CCN(c2ccc(Br)cc2Cl)CC1,-0.8422643542289734
+Cc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(Cl)c1,-0.958424985408783
+C[C@@H]1CC[C@@H](NC(=O)c2ccnn2-c2ccc(Cl)cc2)C1,-0.9939242005348206
+CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC12CCC2,-1.5664355754852295
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-1.0104109048843384
+Cc1ccc(C(=O)N[C@@H]2CCCO[C@H]2c2ccccc2)c(F)c1,-1.1124292612075806
+CCCN1CCC(C(=O)Nc2ccc(OC)cc2)CC1,-1.5484000444412231
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1,-1.0045045614242554
+O=C1CN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCN1,-1.4662173986434937
+Nn1c(NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1,-0.6457376480102539
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2040328979492188
+CC(C)(CCc1ccc(O)cc1)NC(=O)c1ccccc1,-1.6038795709609985
+O=C1CCCN1CC1CCCN(C(=O)c2ccc(I)cc2)C1,-0.9568333029747009
+C[NH+]1CCC[C@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.599871039390564
+O=C(NC[C@H]1CCO[C@@H](c2ccccc2)C1)C1=CCSCC1,-1.4914789199829102
+Cc1ccccc1NC(=O)C1CC[NH+]([C@H]2CCC[NH+](C)C2)CC1,-1.0909011363983154
+CC(C)(C)N1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1,-1.2238154411315918
+O=C(NCc1ccc(F)c(Cl)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8372071981430054
+NC(=O)c1cc(O)ccc1NC(=O)CC1CCCCC1,-1.518977403640747
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.3962382078170776
+Fc1ccc(COc2cc(Cl)ccc2-c2ccccc2)cc1,-1.1678966283798218
+Nc1ccc(NC(=O)CCOc2ccc(Br)cc2)c(F)c1,-1.1697574853897095
+O=C(N1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H](O)C1,-1.4635571241378784
+Cc1ccc(OCc2noc(-c3ccc(C)cc3C)n2)cc1,-1.0846072435379028
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.91032475233078
+C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1366716623306274
+Cc1cccc(CN2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)c1,-1.0784093141555786
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.043580174446106
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565131902694702
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.0868868827819824
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CCCCC2)C1,-1.0969802141189575
+Cc1cccc(CN2CCN(Cc3ccc(N)cc3)CC2)c1,-1.3990750312805176
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.362913966178894
+Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0359055995941162
+Cn1cc(NC(=O)NCc2ccccc2F)cn1,-1.619145154953003
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0810976028442383
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9561324119567871
+O=C1Cc2cc(CNC(=O)C3CCOCC3)ccc2N1,-1.449596881866455
+Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,-1.4649789333343506
+Cc1nc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cs1,-1.0402040481567383
+N#Cc1ccc(NC(=O)c2csc(C3CCCCC3)n2)cc1,-1.0496469736099243
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Br)cc2)CC1,-0.8289620280265808
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0595229864120483
+O=C(c1ccc(Br)cc1)N1CCC(CCc2ccccc2)CC1,-1.3535016775131226
+Nc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-0.8582914471626282
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.033603549003601
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)N1,-1.4418978691101074
+O=C(NCc1ccc(F)cc1)[C@@H]1CCCS(=O)(=O)C1,-1.608344316482544
+O=C([O-])[C@H]1CCCN(C(=O)c2scnc2-c2ccccc2)C1,-0.9840033054351807
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2827364206314087
+C=CCOc1ccc(OC(=O)c2ccccc2)cc1,-1.6672917604446411
+Cc1nc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.8257910013198853
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5540993809700012
+C[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.1262547969818115
+CCNc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.291795253753662
+O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4201921820640564
+Cc1ccc(NC(=O)N2CCC[C@H](C(C)(C)O)CC2)cc1,-1.479198932647705
+O=C1C[NH+]2CCC(CC2)N1,-1.9152981042861938
+C[C@H]1CCCCC[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1,-1.1966263055801392
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1508530378341675
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.456785798072815
+O=C(NC1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.38697350025177
+Cc1ccc(-c2ccc(NC(=O)N3CC[NH2+]C[C@H]3C)cc2)cc1,-1.1136735677719116
+CC(=O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.6301473379135132
+Cc1nn2c([nH+]1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.9513179659843445
+CC1(C)CC[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.3569279909133911
+c1ccc(CN2CCN3CCCCC3(Cc3ccccc3)C2)cc1,-1.474479079246521
+Cc1cc(NC(=O)N[C@H]2CC23CCCC3)ccc1F,-1.3148032426834106
+O=C(c1ccc(F)cc1F)N1CCC(C[NH+]2CCCCC2)CC1,-0.9001787900924683
+Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(F)cc1,-0.9936003684997559
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.0377668142318726
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.202875018119812
+O=C(Nc1ccc(-n2nccn2)cc1)c1ccc2[nH]ncc2c1,-0.9847173690795898
+CCc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cnn1C,-0.5389385223388672
+C[NH+]1CCC[C@@H](CC(=O)NC[C@H](O)CC2CCCCC2)C1,-1.5700269937515259
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2634848356246948
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.018895149230957
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1361349821090698
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2721495628356934
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cn1,-0.8896422386169434
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3640742301940918
+O=C(CN1CCC(C(=O)O)CC1)Nc1ccc(Cl)cc1,-1.4139175415039062
+O=C(N[C@@H]1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2624764442443848
+O=C([C@H]1CC12CCCCC2)N1CC[NH+](Cc2ccccc2)CC1,-1.4279897212982178
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6174932718276978
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0646092891693115
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3083292245864868
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.1893011331558228
+O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1,-0.989663302898407
+C[NH+]1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.3032562732696533
+Nc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1,-1.4554753303527832
+Cc1ccc(C(=O)NCc2nnc3n2C[C@H](C)CC3)cc1,-0.8970932364463806
+Cc1cc(O)ccc1C(=O)N1CCO[C@H](CC2CCCCC2)C1,-1.221771240234375
+O=C1Cc2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc2N1,-0.8837226033210754
+c1ccc(COC2CN(Cc3ccccc3)C2)cc1,-1.6970746517181396
+Cc1cnc([C@H](C)CNC(=O)N2CCC3(CCOCC3)CC2)s1,-1.1038888692855835
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1,-1.1746940612792969
+Nc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.997217059135437
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.004124402999878
+O=C(Nc1ncccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8401362299919128
+COc1cnn(C)c1C(=O)NCC1CCCCC1,-1.4704084396362305
+O=C(Nc1ccnn1C1CCCC1)c1ccc(F)c(F)c1,-0.9271422028541565
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Cl,-1.0441854000091553
+CC[C@H](C)C(=O)Nc1ccc(Cl)cc1,-1.6765488386154175
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.1068711280822754
+COc1ccc(NC(=O)CCC(=O)N2CCC[C@@H](C)C2)cc1,-1.482224941253662
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.865380048751831
+CC1(C)CC[C@@H](C(=O)Nc2ccn(-c3ccccc3)n2)C1,-1.3716658353805542
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8739740252494812
+Cc1cc(F)ccc1C(=O)N1CCC(OC(C)(C)C)CC1,-1.1251693964004517
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.45658549666404724
+CC(C)N=C(O)COc1ccc(CN2CCCC2C)cc1,-1.4312376976013184
+O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCCC1CCCCC1,-1.0087928771972656
+CCC(CC)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1,-1.3584908246994019
+O=C(CCCc1ccc(F)cc1)NCc1ccc(Br)cc1,-1.4093542098999023
+O=C([C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)N1CCC(CO)CC1,-0.9619972109794617
+Cc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1,-1.4719696044921875
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCCCC2)C1,-1.4330153465270996
+O=C(CCC(=O)c1ccccc1)NCc1ccc(F)cc1F,-1.3981255292892456
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.2305166721343994
+O=C(NCc1cc(F)ccc1F)N1CCOC2(CCC2)C1,-1.276228904724121
+Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CC[NH+](C)C3)CC2)s1,-1.0698199272155762
+Fc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1Cl,-1.153896450996399
+O=C(N[C@H]1CC1C1CCOCC1)c1ccc(-n2ccnc2)cc1,-1.214903473854065
+CCCN1CCN(C(=O)c2noc(-c3ccc(F)cc3)n2)CC1,-1.010434627532959
+O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7724398970603943
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.056198239326477
+C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.081369400024414
+O=S1(=O)CC[C@H](NCc2ccc(-n3cccn3)cc2)C1,-1.5324567556381226
+O=C(Nc1ccnn1C1CCCCC1)c1cc2ccccc2[nH]1,-1.0320981740951538
+C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1702473163604736
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.036075234413147
+Cc1ccc(C(O)CNC(=O)C2CCCC(C)C2)cc1F,-1.0466136932373047
+CC(C)(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.541611909866333
+C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1F,-0.9510472416877747
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9967088103294373
+Fc1ccc(N2CCC(CNc3ccc(Cl)cc3)CC2)cc1,-1.0803500413894653
+CC(=O)N1CC[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H](C)C1,-1.0032541751861572
+O=C(c1ccc(F)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5012459754943848
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.30376136302948
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.962998628616333
+[NH3+][C@H](CC(=O)NCc1cccc(Br)c1)Cc1ccccc1,-1.4732357263565063
+Nc1ccc(C(=O)NC[C@H](O)Cc2cccc(O)c2)cc1,-1.5627601146697998
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9716890454292297
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.2166893482208252
+Cn1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.1990069150924683
+Cc1ccc(SCC(=O)Nc2nc3ccccc3s2)cc1,-1.0745152235031128
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8260024189949036
+c1ccc(CN2CCN(c3nnc(-c4ccccc4)s3)CC2)cc1,-1.051114797592163
+Cc1ccc(C(=O)N2CCC(OCC(F)(F)F)CC2)cc1,-1.363042950630188
+CC[NH+]1CCN(C(=O)Nc2c(F)cc(F)c3ccccc23)CC1,-0.538048267364502
+Cc1ccc(C(=O)N[C@H]2CC[C@H]2c2ccc(Cl)cc2)cc1,-1.0524193048477173
+Cc1ccccc1C(=O)NC1CCN(c2cccc(N)c2)CC1,-1.1630967855453491
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-1.055538535118103
+Nc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)cc1Cl,-0.8597797751426697
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9892057776451111
+O=C(CN1CC[NH+]2CCC[C@H]2C1)NCc1ccc(Cl)cc1,-1.2491165399551392
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1965219974517822
+O=C(NC1CCCCCC1)N1CCC(c2ccc(F)cc2)CC1,-1.1730252504348755
+O=C(Nc1ccc(O)cc1)N1CCC[NH+](C2CCCCC2)CC1,-1.3937231302261353
+C[C@H]1CCC[C@H]([NH+]2CCC(C(=O)NCC(F)(F)F)CC2)C1,-0.8706724047660828
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCCC[C@@H](F)C1,-1.138431429862976
+c1ccc(Cc2cc3c(cn2)CN(Cc2ccccc2)CC3)cc1,-1.1586805582046509
+CC(C)(C)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.1281780004501343
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0051002502441406
+Cc1ccc(NCc2nc(-c3ccc(Br)cc3)cs2)c(I)c1,-0.6291561722755432
+CC(C)(C)C[NH+]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1,-1.2218633890151978
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1Cl)c1ccccc1,-0.848503053188324
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9423858523368835
+Cc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1Cl,-0.8397031426429749
+Nc1cccnc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.9912946820259094
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-0.8955951929092407
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.690450668334961
+O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.5618698596954346
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.966145396232605
+O=C(NCc1ccc2c(c1)OCCO2)N1CCC[C@@H](O)C1,-1.4427834749221802
+Cc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1,-1.1951273679733276
+Cc1cc(NC(=O)C2CC[NH2+]CC2)n(-c2ccc(C)s2)n1,-0.9295428991317749
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1187227964401245
+[NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-0.9954259395599365
+Cc1cc(F)ccc1CNC(=O)Cc1ccc(Br)cc1Cl,-0.7089856266975403
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cn1,-1.2827919721603394
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.958460807800293
+Cc1c[nH]c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1,-1.277266025543213
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CC=CCC1,-1.3356130123138428
+O=C(Nc1ccc(-c2ccc(F)cc2F)cc1)N1CCCCC1,-0.9470332860946655
+Cc1cc(Br)cc(Cc2nc(Cc3ccccc3)no2)c1O,-0.9159188866615295
+Cc1ccc2cc(C(=O)NCc3cc(C)on3)ccc2c1,-1.1432464122772217
+O=C(N[C@@H]1CCO[C@H]1C1CCCCC1)c1cc2ccccc2o1,-1.2343099117279053
+O=C(NC1(c2ccc(F)cc2)COC1)c1ccc(Cl)cc1,-1.2592428922653198
+Cc1cccnc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1,-1.0652989149093628
+C[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2Cl)C1,-0.9497129321098328
+Cc1ccc(C(=O)NCc2cc3ccc(F)cc3o2)cc1,-1.1813894510269165
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839920282363892
+COc1ccc(CNCC2CCCC(C)CC2)cc1,-1.6127992868423462
+Cc1nnc(NC(=O)CNCc2ccccc2)s1,-1.5461078882217407
+Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)cs1,-1.1558531522750854
+COc1ccc(C(=O)NCc2ncc(C)s2)cc1,-1.4199297428131104
+Cc1cnc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H](C)C2)s1,-0.8839877247810364
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.527886986732483
+O=C(NCc1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1,-0.920232892036438
+O=C(Nc1ccc(Br)nc1)c1ccc(N2CCOC2=O)cc1,-1.048034906387329
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.426244854927063
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-0.9112866520881653
+CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.1057324409484863
+C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CC1(C)C,-1.1603879928588867
+O=C(Cc1cccc(Br)c1)NCc1cccc2[nH]ccc12,-1.1580082178115845
+Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1154475212097168
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2975904941558838
+COc1ccc(CNC(=O)c2ccc(N)s2)cc1,-1.5577632188796997
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3374366760253906
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.9244864583015442
+CN1CCN(c2cc(N)ccc2COc2ccccc2)CC1,-1.3030949831008911
+Cc1ccc(C)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.1119165420532227
+Cc1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.1137330532073975
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)c1,-0.9830227494239807
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9145118594169617
+O=C(Cc1ccccc1)N[C@H]1CCCO[C@H](c2ccccc2)C1,-1.5303798913955688
+CC(C)C(O)CNC(=O)c1ccc(-c2ccccc2)cc1,-1.5414714813232422
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0031189918518066
+Cc1cc(NC(=O)[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.2102841138839722
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1,-1.102701187133789
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.1440590620040894
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012605428695679
+C[C@H](CNC(=O)c1cc2ccccc2s1)CN1CCCC1=O,-1.0717941522598267
+O=C(Nc1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.1151549816131592
+Cc1ccc(C(=O)Nc2nnc(N3CCC[C@H](C)C3)s2)o1,-0.9125263690948486
+Cc1ccccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1,-1.3006712198257446
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5286046266555786
+O=C(Nc1ccc(Br)cn1)c1ccc(CC(F)(F)F)cc1,-0.9537049531936646
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CC12CCOCC2,-1.4007664918899536
+C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C1,-1.040016531944275
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.1560908555984497
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)s1,-1.0872740745544434
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4609203338623047
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9535923600196838
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0931153297424316
+O=[N+]([O-])c1ccccc1,-2.0179264545440674
+Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1,-1.0592031478881836
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(-c2ccccc2)n1,-1.167642593383789
+O=C(NCC(F)(F)F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9280676245689392
+Cc1ccc(N)c(CNC(=O)CCc2cccc(Br)c2)c1,-1.121944546699524
+Cc1ccc(C[C@@]2(O)CCN(C(=O)c3ccco3)C2)cc1,-1.5989573001861572
+Cc1ccn(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1,-1.1962565183639526
+CC(C)N=C(O)COc1cccc(CN2CCC(N)C2)c1,-1.499892234802246
+Cn1c(CNc2ccc(Br)cc2)nnc1-c1ccc(F)cc1,-0.6723505258560181
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1779348850250244
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1,-1.247235894203186
+C[C@@H]1C[NH+](CCCNC(=O)c2ccc(I)cc2)C[C@H](C)O1,-1.3380942344665527
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.1319313049316406
+O=C(c1ccc(F)cc1)N1CCC(C(O)=NCc2ccc(F)cc2)C1,-0.8882437944412231
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.185196042060852
+O=C(NCc1cccs1)N1CC[NH+](C2CC2)CC1,-1.592106580734253
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9843334555625916
+CC(C)(O)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.6071243286132812
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5727434158325195
+Cc1cc(O)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.218139410018921
+c1ccc(C[NH+]2CCC[C@@H](c3noc(-c4ccccc4)n3)C2)cc1,-1.253539800643921
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-1.0014503002166748
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1030353307724
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617074728012085
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0782541036605835
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8726937174797058
+Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.6547096967697144
+Nc1ccc(CNC(=O)Cn2cnc3ccccc32)cc1,-1.2837238311767578
+O=C(CN1CCC(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2125580310821533
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5140844583511353
+CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cn2)CC1,-0.8662132024765015
+O=C(Cc1ccc2c(c1)CCC2)N[C@H]1CCC2(CCC[NH2+]CC2)C1,-1.2408844232559204
+Cc1ccc(CC(=O)NCC2CCCCC2)cc1,-1.6617218255996704
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.409536600112915
+COC(=O)N1CCN(c2ccccc2-c2ccc(F)cc2)CC1,-1.1412360668182373
+COc1ccc(CCNC(=O)c2cccnc2N)cc1,-1.4242579936981201
+Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)no1,-1.4154269695281982
+O=C(Nc1ccnn1-c1ccc(Cl)cc1)[C@@H]1CCCCC[C@@H]1O,-0.9696011543273926
+CN(C)c1ccc(C(=O)N[C@@H]2CCC3(CCCC3)C2)cc1,-1.3890979290008545
+Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2o1,-1.1066700220108032
+CC(C)OC(=O)c1ccc(SCC(=O)O)cc1,-1.6773055791854858
+O=C(N[C@H]1CCO[C@@H]1c1ccccc1)c1c[nH]c2ccccc12,-1.17815101146698
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.369671106338501
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9062143564224243
+C[NH+]1CCC(CC(=O)NCCCc2ccc(F)cc2)CC1,-1.5623040199279785
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.026925802230835
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4856491088867188
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8693748712539673
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2s1,-0.8076654076576233
+O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.0611211061477661
+O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5118379592895508
+Oc1ccc(NCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2792192697525024
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781548023223877
+NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1166737079620361
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)o1,-1.1891756057739258
+Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.1811628341674805
+[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0032126903533936
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.204723596572876
+CC1=C(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1,-1.0298787355422974
+CC(C)CC(=O)NCC1(c2ccc(F)cc2)CCOCC1,-1.536953091621399
+O=C(NCCc1cccc(Cl)c1)[C@@H]1CC[C@@]2(CC[NH2+]C2)C1,-1.427985429763794
+Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(C)c1F,-0.44409510493278503
+C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.114502191543579
+O=C(Nc1cccc(C2CCCCC2)c1)c1ccc(Cl)cc1O,-0.9281739592552185
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431845426559448
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(F)c2)n[nH]1,-1.221697449684143
+Nc1ccc(C(=O)NCC(=O)N2CCC[C@@H](O)C2)cc1,-1.4519010782241821
+O=C(NCc1cccc(O)c1)N1CCN2CC(O)CC2C1,-1.314435601234436
+CC(C)(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1322437524795532
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.160519003868103
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.687448263168335
+Cc1nn(C)cc1C(=O)N1CC[NH+](Cc2ccccc2Br)CC1,-0.6766451597213745
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0928462743759155
+O=C(C[NH+]1CCCC1)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.4774823188781738
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cn1,-1.2017821073532104
+c1ccc(Oc2ccc(-c3nncn3-c3ccccc3)cc2)cc1,-1.2383800745010376
+C[C@@H]1CN(C(=O)NCC2CC3(CCC3)C2)C[C@H](C)O1,-1.5780397653579712
+O=C(Cc1ccc2c(c1)OCCO2)NCC1CCCCC1,-1.529144525527954
+C[NH+]1CCN(Cc2ccccc2)[C@H](Cc2ccc(F)cc2)C1,-1.3607856035232544
+O=C(Nc1ccccc1I)N1CCN(c2ccc(F)cc2)CC1,-0.8632146716117859
+O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-0.9936748743057251
+Cc1noc([C@H]2CCCN2C(=O)Nc2ccc(O)cc2)n1,-1.1483203172683716
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.252880573272705
+C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1,-1.3763947486877441
+O=C(Nc1ccc(Cl)c(F)c1)c1ccccc1-c1ccccc1,-0.9350306987762451
+O=C(Nc1ccccc1Cl)c1cccnc1-c1ccc(Cl)cc1,-0.7603732347488403
+O=C(NC1CCN(c2ccc(I)cc2)CC1)c1ccccc1F,-0.8534873127937317
+Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1F,-1.4612114429473877
+C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1,-1.2580022811889648
+Cc1ccc(-c2noc(COc3ccc(Br)cc3C)n2)cc1,-1.0538616180419922
+Cc1ccc(C[NH+]2CCN(C(=O)C3CC3C3CC3)CC2)o1,-1.1438179016113281
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421442747116089
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2F)CC1,-1.012345552444458
+CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(Br)c3)C2)cc1,-0.988318145275116
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCC=CCC1,-1.2337791919708252
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2212969064712524
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9261752963066101
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9005829691886902
+Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)[nH]c2c1,-1.1480108499526978
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1O,-1.075665831565857
+O=C(NC1(c2ccc(F)cc2)CCCC1=O)c1ccccc1,-1.3106693029403687
+Cc1ccc(COC(=O)CN=C(O)Cc2ccccc2)cc1,-1.5686542987823486
+C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.0772066116333008
+N#Cc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1,-1.3828493356704712
+Oc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-1.004427194595337
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1951552629470825
+Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(F)c1,-1.012026309967041
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)nc1,-1.1042438745498657
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0595868825912476
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.172426462173462
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.236578106880188
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1894876956939697
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)N1CC[C@@H](F)C1,-1.125154733657837
+Cc1cccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)c1,-1.3171390295028687
+CC(C)CCC(=O)N1CCN(C(=O)NC(C)(C)C)CC1,-1.3975889682769775
+O=C(CC[NH+]1CCOCC1)Nc1ccc(N2CCCCC2)cc1,-1.51596999168396
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2779560089111328
+CCn1cnnc1C1CCN(C(=O)c2cc(Cl)ccc2C)CC1,-0.6531144976615906
+O=C(c1ccc(Cl)cc1Cl)N1CCN(CC2CC[NH2+]CC2)CC1,-0.8276913166046143
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCCCO1,-0.968413233757019
+C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.6435341835021973
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.1551804542541504
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4897782802581787
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517622351646423
+C[C@H]1Cc2cc([C@@H](C)NC(=O)c3ccccc3)ccc2O1,-1.3726118803024292
+Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.5125093460083008
+CC1(C)CC(C(=O)N[C@H]2CCCO[C@@H]2c2ccccc2)C1,-1.553816795349121
+Cc1cccc(C(=O)CNC(=O)c2ccc(F)cc2)c1,-1.3886430263519287
+O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.088832139968872
+Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)nn1C,-1.166722059249878
+Cc1cccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)c1,-1.1266449689865112
+C[C@@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.3202756643295288
+C[NH+]1CCC[C@@H](C[NH2+]C2CCN(c3cccc(Br)c3)CC2)C1,-1.0641981363296509
+CCOC1CCCCN1Cc1ccc(C(C)N)cc1,-1.5587016344070435
+Cc1ccccc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1,-1.3377653360366821
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(I)cc1F,-0.8334144353866577
+Cn1ccc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)n1,-1.0183300971984863
+Nc1ccc2cc(CNC(=O)c3ccc(F)cc3)oc2c1,-1.1296286582946777
+CN(C(=O)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1,-1.1191787719726562
+CN1CCN(c2ccc(N)cc2)CC1,-1.7132997512817383
+Cc1ccc(-c2ccc(Cl)cc2)c(OCc2ccccc2)c1,-1.2383842468261719
+CN1CCN(c2cccc(NCc3ccc(O)cc3)c2)CC1,-1.3988186120986938
+Cn1ccc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)n1,-0.8305301666259766
+COc1ccc(C[NH+]2C[C@@H](C)C[C@H]2c2ccc(F)cc2)cc1,-1.173485279083252
+Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9850049614906311
+Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9205145835876465
+c1ccc(C[NH+]2CC[C@H](c3ccccc3)[C@H](c3ncc[nH]3)C2)cc1,-1.2289857864379883
+Cc1ccc(NCCCN=C(O)NCCc2ccccc2)cc1,-1.5548388957977295
+Cc1cc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)cs1,-1.0690561532974243
+CC(=O)N1CCC[C@H](CC(=O)Nc2ccc(Br)cc2)C1,-1.3007551431655884
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.432861328125
+Cc1ccccc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9648237228393555
+CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1140645742416382
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.1145542860031128
+CC1(C)CCN(C(=O)NC[C@@H](O)c2ccc(F)cc2)CC1,-1.3380159139633179
+Cc1cc(N)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0530880689620972
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908015012741089
+O=C(CSc1nc2ccccc2s1)Nc1cccc(Br)c1,-0.9254010915756226
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2500962018966675
+Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)c(C)c1,-1.2445093393325806
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8905353546142578
+Cc1cc(N)ccc1C(=O)N[C@H]1CCCO[C@H]1c1ccccc1,-1.1238808631896973
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.831250786781311
+C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.4631903171539307
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9874847531318665
+Cc1cc(F)ccc1C(=O)NC1CCC(c2ccccc2)CC1,-1.0016247034072876
+O=C(NCc1cc(Br)ccc1F)c1ccc2c(c1)OCC2,-0.8804190158843994
+Cc1cc(O[C@@H](C)c2nc(C3CCCCC3)no2)ccc1Cl,-0.9233016967773438
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9678099751472473
+CN1CCN(c2ccc(COc3ccc([O-])cc3)cc2)CC1,-1.43121337890625
+Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2)no1,-1.0018326044082642
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1406735181808472
+CC(=O)c1ccc(NC(=O)CCc2noc(C)n2)cc1,-1.3904736042022705
+Cc1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)cc1,-1.5222889184951782
+COc1ccc(C[NH+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.2702338695526123
+O=C(Cc1ccc(F)cc1Cl)NCCc1ccc(Br)cc1,-1.076290249824524
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.200024127960205
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0324949026107788
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1766084432601929
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1,-1.2335478067398071
+Cn1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cn1,-0.9369847178459167
+O=C(Cc1ccccc1F)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.3909071683883667
+CCc1cc(C(=O)OCc2ccccc2)nn1C,-1.5910239219665527
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1081846952438354
+Cc1ccc(NCc2ccccc2-c2ccc(C)cc2)cc1,-1.4476889371871948
+Nc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1,-1.3644423484802246
+CC(C)(CNC(=O)c1cccc(F)c1)c1ccc(F)cc1,-1.1716358661651611
+Cc1ccccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.1391334533691406
+Fc1ccc(CNc2ccc(-c3ccccc3)cn2)cc1F,-1.0690786838531494
+O=C(c1ccc(F)cc1Cl)N1CCC(Nc2ccccc2)CC1,-1.0167697668075562
+C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCN(C)C3=O)cc2)C1,-0.759195864200592
+O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1Br,-1.2307865619659424
+COc1cccc(NC(=O)N(C)Cc2ccccc2)c1,-1.6002217531204224
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.086599588394165
+Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3s2)cc1,-0.9065055847167969
+O=C(Nc1csc2ccccc12)c1cc(C2CCCCC2)no1,-0.9177943468093872
+O=C(Nc1ccc(F)cc1)N1CCC[NH+](C2CCCCC2)CC1,-1.2406504154205322
+CC[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCCCC1,-1.009137511253357
+C[NH+]1CCN(C(=O)COc2ccc(N3CCCCC3)cc2)CC1,-1.4074314832687378
+CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CC(C)(C)O)C1,-1.571835994720459
+Cc1cc(F)ccc1C(=O)NC[C@H]1C[C@H](C)C12CCCC2,-0.9627683758735657
+O=C(c1ccc2c(c1)CCCCN2)N1CCN(c2ccc(Br)cc2)CC1,-0.6501067876815796
+O=C(NCCC(=O)N1CCCCC1)[C@H]1CCC2(CCCC2)C1,-1.5028772354125977
+Cc1ccc(C(=O)Nc2ccc(CC(C)(C)C)cc2)cc1,-1.4503803253173828
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2252312898635864
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.0907630920410156
+COc1cccc(C[NH+]2CCC[C@H](c3ccc(C#N)cc3)C2)c1,-1.443137526512146
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2cccc(F)c2)C1,-0.9311202168464661
+O=C(c1ccc(Br)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8519477844238281
+Cn1cc(NC(=O)CC2CCCC2)c(-c2ccccc2)n1,-1.3590832948684692
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9859537482261658
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.963979959487915
+Cc1ccc(C(=O)NCC(=O)c2cccc(Br)c2)cc1,-1.286988615989685
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9898445010185242
+Cn1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.152201533317566
+O=C(N[C@@H]1CC12CCOCC2)C1CCN(c2ccccc2)CC1,-1.4087601900100708
+C[C@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.9647679924964905
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2662686109542847
+Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1,-0.8268181681632996
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6218279600143433
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2782460451126099
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.006178617477417
+Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)o1,-1.1030020713806152
+O=C(N[C@H]1CC12CCOCC2)[C@H]1CCCC[NH+]1C1CCCCC1,-1.3156492710113525
+Cc1ccc2nc(CNC(=O)CC3CCOCC3)sc2c1,-1.1023547649383545
+Cc1nc(O)ccc1C(=O)NCC1CCC2(CCC2)CC1,-1.1753157377243042
+C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2804625034332275
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.107511043548584
+O=C(Cc1cccc(F)c1)N[C@H]1C[C@H](c2ccccc2)C1,-1.4453442096710205
+O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.0653890371322632
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.3099753856658936
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1084380149841309
+CCC[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(CC)cc1,-1.5418368577957153
+Cc1[nH]nc(C2CCCCC2)c1C(=O)N[C@H]1CC[NH+](C)C1,-0.9025848507881165
+CC(C)(CC(=O)NCc1ccc(F)cc1)c1ccccc1,-1.5292044878005981
+Cc1ccc(N2CC[C@H](NC(=O)c3ccn(C)n3)C2)cc1,-1.1510792970657349
+CCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-1.2633569240570068
+O=C(NCC(O)=NCCc1ccc(F)cc1)c1ccccc1,-1.5565929412841797
+Cc1cc(C(=O)N[C@@H]2C[NH+](C)C[C@@H]2c2ccccc2)on1,-1.2509361505508423
+C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2c2ccc(F)cc2)CCO1,-1.3473197221755981
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2366267442703247
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Cl,-0.9694967269897461
+CCOc1ccc(C(=O)N2CCOCC3(CCCCC3)C2)cc1,-1.50995671749115
+Cc1nc(C)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.0146141052246094
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.328595757484436
+CC(=O)N1CCC(NC(=O)c2ccc(Br)c(C)c2)CC1,-0.9499640464782715
+C[C@H]1CCCC[NH+](C[C@@H](C)NC(=O)c2ccc(O)cc2)C1,-1.4660097360610962
+C[NH+]1CC[C@H](NC(=O)c2ncoc2-c2ccc(Br)cc2)C1,-1.0220762491226196
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1cc(-c2ccccc2)no1,-1.1263229846954346
+Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9447249174118042
+C[C@@H]1CCC[NH+](C[C@H](O)CNC(=O)c2ccc(Br)cc2)C1,-1.3425102233886719
+Cc1cc(N)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.0728836059570312
+O=C(N[C@@H]1CC12CCC2)N1CCCC[C@H]1c1ccccc1,-1.3706251382827759
+O=C(O)c1cccc(COCc2ccccc2)c1,-1.6909408569335938
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.156548261642456
+C[C@@H]1COCC[C@@H]1NC(=O)c1ccccc1-c1ccc(F)cc1,-1.0754045248031616
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9188410043716431
+O=C(NC1CC(F)(F)C1)c1ccc(N2CCOCC2)nc1,-1.1156725883483887
+COc1ccc([C@H]2[C@H](C)CC[NH+]2Cc2ccc(F)cc2)cc1,-1.2386229038238525
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0244871377944946
+COC(=O)c1cccc(NC(=O)C2CCCCC2)c1,-1.592521071434021
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1,-1.4035917520523071
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4253716468811035
+Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4395496845245361
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6721211671829224
+O=C(C1CC(c2ccccc2)C1)N1CCC(c2nn[n-]n2)CC1,-0.8790012001991272
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125223875045776
+CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN(c2ccccc2)C1,-1.4775420427322388
+C[C@@H](CC(=O)NCc1ccccc1)c1ccc(Br)c(F)c1,-1.1249383687973022
+COCC(C)NC(=O)c1ccc(CC(C)C)cc1,-1.6276401281356812
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.5151569843292236
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2501001358032227
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.2191367149353027
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0681304931640625
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.019979476928711
+Fc1ccc(NCc2ccc(F)cc2N2CCOCC2)cc1,-1.1725413799285889
+CC1=C(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)CCO1,-1.423924446105957
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2469216585159302
+Cc1nnc(SCCC(=O)N2CCCC[C@H]2C2CCCCC2)o1,-1.026197075843811
+O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.8772458434104919
+COCc1nn(C)cc1N1CCC(c2ccc(Cl)cc2)CC1,-0.8447283506393433
+O=C(NCCc1cc(F)c(F)cc1F)c1ccc(O)cn1,-0.7971153855323792
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5299683809280396
+O=C(c1cccs1)N1CC[NH+](C2CC([NH+]3CCOCC3)C2)CC1,-1.1504004001617432
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.3665655851364136
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.227285385131836
+O=C(Cc1ccc(Br)cc1)NCC[C@H](O)C[NH+]1CCCC1,-1.478196144104004
+O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](Cc2ccc(Cl)cc2)C1,-0.9845984578132629
+O=C(Nc1cccc(Cl)c1)N1CCC(N2CCNC2=O)CC1,-0.9769638180732727
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0312533378601074
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.0985702276229858
+Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1,-1.1299208402633667
+C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1018013954162598
+Cc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1,-1.5422707796096802
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5313777923583984
+C[C@]1([NH+]2CCCC2)CCN(C(=O)Nc2cccc(Cl)c2)C1,-1.2488961219787598
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.1077078580856323
+O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4040123224258423
+Cc1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1,-1.1181644201278687
+Fc1ccc(CNc2cc(-c3ccc(Cl)cc3)ncn2)cc1,-0.9190999269485474
+CC1CC[NH+](CCC(=O)Nc2ccc(C(C)C)cc2)CC1,-1.54184889793396
+O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1Cl,-0.8910515308380127
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)n1,-1.119960904121399
+CC(C)(CNC(=O)c1ccc(Cl)nc1)c1ccc(N)cc1,-1.0270345211029053
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)nc1C,-0.9879990816116333
+O=C(NCCC1CCCCC1)N[C@H]1CC[C@@H](O)C1,-1.6707303524017334
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.026951551437378
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4377657175064087
+O=C(Cc1ccccc1)Nc1ccc(F)cc1C(=O)O,-1.4660724401474
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9435350894927979
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CC[NH2+]CC2)CC1,-0.8835543394088745
+O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(O)cc2)CC1,-0.94136643409729
+O=C(c1ccc(F)cc1)N1CCC([NH+]2CCC[C@H](CO)C2)CC1,-1.0698518753051758
+Cc1ccc(CN2CCN(C(O)=NCCCc3ccccc3)CC2)cc1,-1.3564776182174683
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9792330861091614
+O=C(Cc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCOCC1,-1.5383780002593994
+Cc1cc(C(=O)Nc2ccc(F)cc2S(C)(=O)=O)ccc1F,-0.8583102226257324
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4777593612670898
+Cc1cc(C(=O)Nc2ccn(-c3ccc(O)cc3)n2)n[nH]1,-1.1210633516311646
+CC(=O)Nc1ccc(C[NH+]2CCc3sc(C)nc3C2)cc1,-0.8822022676467896
+O=C(NCc1ccc(F)cc1)c1ccc2nc(O)[nH]c2c1,-1.0633251667022705
+Cc1ccc(N2CCN(C(=O)c3cccc4cc(O)ccc34)CC2)cc1,-0.7252413034439087
+O=C(Cc1ccc(I)cc1)NCc1noc2ccccc12,-1.105423927307129
+O=C1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4380003213882446
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9627874493598938
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101739525794983
+O=C(OCc1ccccc1)Oc1ccc(I)cc1,-1.5485318899154663
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3232417106628418
+NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1,-0.8090638518333435
+CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2542903423309326
+O=CC(=O)Nc1cccc(N2CCCC2)c1,-1.7205828428268433
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2687994241714478
+Nc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(Cl)c1,-0.9807648062705994
+CC(C)[C@H]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1,-0.9181264638900757
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1899394989013672
+c1ccc(OCC[NH+]2CCc3nc(-c4ccccc4)sc3C2)cc1,-1.0619685649871826
+C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1,-0.8409780263900757
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.301776647567749
+CN(Cc1ccccc1)C(=O)CN1CCOC2(CCCCC2)C1,-1.54620361328125
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1450928449630737
+O=C(Nc1ccccc1Cl)N1CC[NH2+]C[C@H]1c1cccc(F)c1,-0.8705057501792908
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.1362395286560059
+CCC[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3ccccc23)C1,-0.8476735949516296
+Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(Cl)cc3)C2)on1,-1.079179286956787
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.1449296474456787
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1723275184631348
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8673903346061707
+CN1CCN(C(=O)c2ccc(NCC(=O)O)cc2)CC1,-1.5290452241897583
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123091459274292
+CC(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1,-1.522199273109436
+CN1C(=O)CC[C@@H]1C(=O)NCCc1ccc(F)c(F)c1,-0.9672262072563171
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8814143538475037
+Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1336168050765991
+COc1ccc(C(=O)Nc2ccc3c(c2)CCNC3=O)cc1,-1.0577503442764282
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.7393348217010498
+CCNC(=O)Nc1ccc(-c2nnc(C)o2)cc1,-1.5578640699386597
+CC(C)COc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4498683214187622
+[NH3+]c1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1403030157089233
+C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)CCCO1,-1.4317798614501953
+CC(C)C(=O)N1CCC(NC(=O)[C@H](C)c2ccccc2)CC1,-1.1475582122802734
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.240443229675293
+C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4439868927001953
+Cc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)c(Br)c1,-0.9219983220100403
+Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.0541850328445435
+CC(C)(C)C1CCN(C(=O)Nc2ccc(Br)cc2F)CC1,-0.684059739112854
+Cn1cc2c(n1)CN(C(=O)NCc1cccc(Br)c1)CC2,-0.9381762146949768
+O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.4817461967468262
+C[C@@H]1CN(Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1,-1.491937518119812
+Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1Cl,-0.9565384984016418
+Cc1ccc(C2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2567557096481323
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.322229266166687
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1333879232406616
+Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(F)c1,-1.082478404045105
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9669673442840576
+CCOc1ccc(C(=O)C(=O)NC(C)C)cc1,-1.6417064666748047
+Fc1ccc(CNC2(c3ccc(F)cc3)CCCCC2)cc1,-1.3100587129592896
+C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCCC3)C1,-1.1819380521774292
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4277418851852417
+CCCCc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1,-1.587975025177002
+Cc1noc(C)c1C(=O)NCC(=O)N1CCC(C)CC1,-1.12697172164917
+Cc1ccc(NC(=O)N2CCN(c3ncccc3C)CC2)cc1,-1.0265544652938843
+Cc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1I,-0.8378134369850159
+Oc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.5038970708847046
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.352055549621582
+[NH3+]c1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0843698978424072
+COc1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1,-1.588826298713684
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9453994035720825
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.221665620803833
+C[C@@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2046610116958618
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.083070158958435
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9180600047111511
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.575869083404541
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.2125251293182373
+Cc1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.1587045192718506
+COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1,-1.560118317604065
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.034713864326477
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9789620041847229
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6713639497756958
+c1ccc(Cc2nc(C3CCCN(c4ccccc4)C3)no2)cc1,-1.214389443397522
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(O)cc1,-1.24787175655365
+O=C(C[C@@H]1CCCc2ccccc21)N1CCN(C(=O)C2CCOCC2)CC1,-0.8209249377250671
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1262050867080688
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCOCC2)C1,-0.9707004427909851
+Cc1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc1,-1.2092877626419067
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.114508032798767
+O=C(Nc1ccc(-c2ncon2)cc1)N1CCc2sccc2C1,-0.9435861706733704
+CN1CC[C@H](C(=O)NCCc2ccc(F)cc2)CC1=O,-1.2212105989456177
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-0.982681155204773
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547760963439941
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852002143859863
+Cc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1,-1.4010494947433472
+CC(C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1351168155670166
+O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2[nH]1,-1.3518595695495605
+c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.2864408493041992
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2467925548553467
+Cc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)o1,-0.9161460995674133
+CC(C)(C)c1ccc(CNc2ccc(Br)c(F)c2)cc1,-0.9421181082725525
+O=C(CC[NH+]1CCC2(CCCC2)C1)NCc1ccccc1,-1.6275185346603394
+O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(N2CCCCC2)cc1,-1.272017002105713
+Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)cs1,-0.9550582766532898
+Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(I)c1,-0.9008077383041382
+CC1COCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4730585813522339
+COc1ccc(CNCCc2ccc(Cl)cc2)cc1,-1.5737746953964233
+C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CCCO1,-1.3497703075408936
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2800871133804321
+Oc1ccc(NCC2CCC(c3ccc(F)cc3)CC2)cc1,-1.2609875202178955
+O=C(Nc1ccc(O)cc1O)c1ccc(-c2ccccc2)cc1,-1.2118436098098755
+O=C(Nc1ccc(Br)nc1)N1CCC[C@@H](N2CCCC2=O)C1,-0.9198102951049805
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565202236175537
+Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2C)n1-c1ccc(Cl)cc1,-0.6434798240661621
+Cc1ccc(F)c(NC(=O)N2CCO[C@H](c3ccccc3)C2)c1,-1.1785591840744019
+CCc1ncsc1C(=O)N[C@H]1CCC[NH+](CCCO)C1,-1.30747652053833
+COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.4662328958511353
+C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H]2c2cccc(Br)c2)C1,-1.2102940082550049
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4376753568649292
+O=C(NCc1ccco1)c1ccc(C2CC2)cc1,-1.6222703456878662
+CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1,-1.6803232431411743
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5269814729690552
+CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2O)CC1,-0.8848833441734314
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)cc1,-1.1101036071777344
+O=C(N[C@@H]1CCC[C@H](n2cccn2)C1)c1ccc2[nH]ccc2c1,-1.0396062135696411
+O=C(Nc1ncccc1F)N1CCN(c2cccc(F)c2)CC1,-0.8622974157333374
+Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3795225620269775
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.070009708404541
+O=C(Nc1ccc(O)cc1)N1CC(c2ccc(F)cc2)C1,-1.2517727613449097
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1075342893600464
+Cc1nc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)n[nH]1,-0.9483395218849182
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCNC2=O)cc1,-1.038722038269043
+CC(C)(I)CC(=O)c1ccc(OCc2ccccc2)cc1,-1.413083791732788
+O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2F)cc1,-0.949404776096344
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9931135177612305
+O=C(Cc1cccs1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1,-1.3236595392227173
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.000145673751831
+Cc1nc2ccc(CNC(=O)N3CCC(C)CC3)cc2s1,-0.9629231691360474
+CC1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.2712517976760864
+CCOC1CCN(C(=O)c2ccc3c(c2)CN(C)C3)CC1,-1.1655247211456299
+C[C@H]1CN(C(=O)c2ccc3[nH]ncc3c2)CCN(c2ccc(F)cc2)C1,-0.6436116695404053
+O=C(NCC(F)(F)F)c1ccccc1-c1ccc(F)cc1,-0.9856942892074585
+Cc1cc(F)ccc1C(=O)N1CCC[C@@H](Oc2ccccc2)C1,-1.2869634628295898
+O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5026180744171143
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3003836870193481
+Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1,-1.1367089748382568
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2008700370788574
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111625909805298
+CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.5908006429672241
+O=C(c1c[nH+]c2ccccn12)N1CC[NH+](CC2CCCC2)CC1,-1.1597293615341187
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.02132248878479
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043336629867554
+O=C(Nc1cc(Cl)ccc1F)c1ccc(N2CCCCC2)cc1,-0.8804057836532593
+Cc1cc(NC(=O)CNc2ccc(I)cc2C)ccc1F,-0.9523130655288696
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(F)c1,-1.102463722229004
+C[C@H]1CC[C@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.0701125860214233
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3879382610321045
+C[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3N)cc2)C1,-1.0770217180252075
+Cc1cc(C(=O)NCc2cc3ccc(F)cc3[nH]2)c(C)o1,-0.9685888290405273
+Oc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Br)cc3)C2)cc1,-1.305539846420288
+CC(C)(C)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1,-0.9996160268783569
+O=C(Cc1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1,-0.8173855543136597
+C[C@H]1CN(c2ccc(Cl)cc2)CC[C@H]1NC(=O)N1CCCCC1,-0.884235143661499
+O=C(NCc1ccc(Cl)c(F)c1)c1cc2ccccc2o1,-0.9988024830818176
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0631673336029053
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695303678512573
+O=C(NCc1ccc(Cl)nc1)NC1CCOCC1,-1.579878330230713
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.153098464012146
+Cc1ccc(C(=O)N2CCN(C(=O)CCCC(=O)[O-])CC2)cc1F,-0.8837864398956299
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.9426506757736206
+O=C(COc1ccc(F)cc1)NCC1CCCC1,-1.6929479837417603
+Nc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0004210472106934
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874261617660522
+C[C@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.2779265642166138
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.8983539342880249
+O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.7274255156517029
+Cc1ccc(NC(=O)N[C@@H]2CCC3(CCOCC3)C2)cc1,-1.5749155282974243
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0039101839065552
+O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(Br)cc1,-1.0354074239730835
+COc1ccc(C(=O)NCc2ccc(C)s2)cc1,-1.5722682476043701
+Cc1csc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1,-0.9541150331497192
+CC(CC(C)(C)O)NC(=O)c1ccc(N2CCCC2)cc1,-1.5276232957839966
+O=C(NCc1ccc2c(c1)CCC2)c1ccc(F)cc1F,-0.9130497574806213
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2C1,-0.7701219320297241
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)CCCO2,-1.1246528625488281
+CCc1nc(C(=O)NCc2ccc(Br)cc2)cs1,-1.2700639963150024
+C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](C)O1,-1.451809048652649
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1932182312011719
+O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cccc(F)c2)CC1,-0.9457306861877441
+C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC(=O)Cc2ccccc2)CC1,-1.3256103992462158
+O=C1CC[NH+]2CCC(CC2)N1,-1.8804504871368408
+O=C(NCC1CCCCC1)Nc1ccc(O)cn1,-1.6327446699142456
+Cc1cc(NC(=O)c2ccccc2)n(C(C)C)c(=O)n1,-1.1617555618286133
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5508877038955688
+O=C(c1ccc(N2CCCC2)cc1)N1CCN(C2CCC2)CC1,-1.083420753479004
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1905640363693237
+O=C(c1cccc(Cl)c1I)N1CCN(Cc2ccccc2)CC1,-0.8083264231681824
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1310007572174072
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9506163001060486
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2250292301177979
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9893332123756409
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)N1CCC(F)(F)C1,-1.1320637464523315
+C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.1440013647079468
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9585228562355042
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0529425144195557
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9815828204154968
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.234823226928711
+CCN=C(O)COc1ccccc1N1CCN(CC(C)C)CC1,-1.3048442602157593
+O=CN1CCN(c2ccc(F)cc2)CC1,-1.6922403573989868
+CC(=O)N1CCN(C(=O)Nc2ccc(I)c(C)c2)CC1,-0.9101935029029846
+CN1C(=O)CC[C@@H]1SCc1nnc(-c2ccc(Cl)cc2)o1,-0.8698217272758484
+CCNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1,-1.6069021224975586
+Cn1cc(C(=O)NCc2ccc(O)cc2)c2ccccc21,-1.1713660955429077
+Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCC3)nc1,-1.1837235689163208
+O=C(N[C@@H]1CCC[C@@H](O)C1)C1CCN(c2ccc(F)cc2)CC1,-1.0693895816802979
+COc1ccc(NC(=O)c2ccc3c(c2)CC(C)C3)cc1,-1.2079592943191528
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6736482381820679
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172345995903015
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1,-1.2950546741485596
+CN1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1,-1.4830909967422485
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(F)c2)cn1,-1.0365779399871826
+C[NH+]1CCC(NC(=O)NCC2CCCCC2)CC1,-1.6392983198165894
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0027048587799072
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9212790131568909
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.257490873336792
+CCS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1F,-1.0599538087844849
+Cc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2C)c1,-1.0586961507797241
+COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0007699728012085
+Cc1cc(NC(=O)C(=O)NC2CCCCC2)ccc1Br,-1.2880762815475464
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2783080339431763
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.544612169265747
+Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCCC2)cc1,-1.2129383087158203
+COc1ccc(CNC(=O)c2cnc(C)[nH]2)cc1,-1.5827815532684326
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.2963591814041138
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0069633722305298
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.266427755355835
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9331395030021667
+N#Cc1ccc(NC(=O)N2CCN(c3cccs3)CC2)cc1,-1.3739789724349976
+CC1CCN(c2ccc(NC(=O)C(O)=NC(C)(C)C)cc2)CC1,-1.1973087787628174
+Cc1ccc(CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1,-1.3266433477401733
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678318977355957
+CC1CCCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.0745692253112793
+O=C(C1CCN(Cc2ccc(Cl)cc2O)CC1)N1CCOCC1,-1.0326261520385742
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C)C2)cc1,-1.011534571647644
+C[C@H]1CCCCN1c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-0.9212527275085449
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-1.0754714012145996
+CC(C)COc1ccccc1OCc1ccccc1,-1.6680892705917358
+CC(C)(C)[C@](C)(O)CNC(=O)Nc1ccc(Br)cc1,-1.4981515407562256
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1490154266357422
+C[C@H]1C[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC(C)(C)O1,-1.010049819946289
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(N)c1,-1.177954912185669
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9637832045555115
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2188020944595337
+Clc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1248486042022705
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2163504362106323
+O=C1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)cc1,-1.2518784999847412
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750890970230103
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-1.031659722328186
+CC(C)CC(=O)NC1CCC(C[NH+]2CCO[C@@H](C)C2)CC1,-1.5199778079986572
+O=C(Nc1ccc(F)cc1)c1ccccc1N1CCNC1=O,-1.0939133167266846
+O=C(NCc1cccc(I)c1)N1CC[C@@H](C2CCCC2)C1,-1.2434874773025513
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(O)c1,-1.5375806093215942
+CC(=O)N1CCN(C(=O)Nc2ccc(F)c(C)c2)CC1,-1.0761584043502808
+C[NH+]1CCCCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Br)cc1,-1.0046499967575073
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9622238278388977
+Nc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.213045358657837
+O=C(N[C@H]1CCN(c2ccc(O)cc2)C1=O)c1ccccc1,-1.2499605417251587
+Cc1nc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n[nH]1,-0.8930118680000305
+CC1CC(=O)N(c2ccccc2)C1,-1.84068763256073
+CCOc1ccc(N2CCN(C(=O)C(C)(F)F)CC2)cc1,-1.1575413942337036
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.315645456314087
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1236642599105835
+O=C(c1cccc2ccccc12)N1CCN(c2cc(F)cc(F)c2)CC1,-0.6481497883796692
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.8663519024848938
+CC1CCN(C(=O)c2noc(C[NH+]3CC[C@H](C)C3)n2)CC1,-1.1942319869995117
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.0992048978805542
+C[C@@H]1CN(Cc2cccc(Br)c2)CC[NH+]1Cc1ccccc1,-1.4226487874984741
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1O,-1.1294474601745605
+CC1CN(C(=O)NCCCc2ccc(Cl)cc2)C[C@H](C)O1,-1.3806512355804443
+COc1ccc(CNC(=O)c2cc(Br)no2)cc1,-1.5126208066940308
+NC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.19108247756958
+CC(C)CCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5766812562942505
+CC(C)(C)CC(=O)c1ccc(CNc2ccccc2)cc1,-1.5525468587875366
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2168012857437134
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.375320553779602
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9000113010406494
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0618336200714111
+Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1,-1.186018943786621
+O=C(NCC1CC[NH+](CCCO)CC1)C1CCCCC1,-1.5941693782806396
+CC(C)(C)C(=O)N1CCC[C@H](COc2ccc(Cl)cc2)C1,-1.2211511135101318
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-1.0474404096603394
+C[NH+]1CCC(NC(=O)c2ccc(CC(C)(C)O)cc2)CC1,-1.5230838060379028
+Cc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1Br,-0.8822817206382751
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1F,-0.9512311816215515
+Cc1cccc(NC(=O)NCc2ccccc2)c1,-1.6860367059707642
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2994495630264282
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9708868861198425
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCC(c2ccc(F)cc2)CC1,-0.9811290502548218
+C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1-c1ccc(F)cc1,-1.0583516359329224
+O=C(NC1CC(F)(F)C1)N1CCN(c2ccccc2)CC1,-1.2094396352767944
+Oc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2137126922607422
+CCOCCC(=O)Nc1ccc(N2CCOCC2)cc1,-1.6351479291915894
+Nc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0193856954574585
+CCN1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0821330547332764
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5215040445327759
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9755134582519531
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0830607414245605
+CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1,-1.2513906955718994
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6611201763153076
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.4007738828659058
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.225783109664917
+CCCCOc1ccc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1,-1.2701363563537598
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1,-0.9029573202133179
+Cc1coc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)c1,-1.1133019924163818
+CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.437451720237732
+Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@@H](F)C3)C2)cc1,-1.1240946054458618
+C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1c1ccccc1,-1.2237693071365356
+O=C(Nc1ccc(-c2ccc(O)cc2)cc1)[C@H]1CCCC[C@@H]1O,-1.2134052515029907
+O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7453699707984924
+Cc1nc2n(n1)CC[NH+](Cc1ccc(OCC(C)C)cc1)C2,-0.9659525156021118
+C[C@@H]([C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[NH+]1CCCCC1,-0.9851567149162292
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(I)cc2)C1,-1.2665554285049438
+C[C@@H]1CN(Cc2ccc(N)cc2)CC[NH+]1Cc1ccccc1,-1.3971519470214844
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0117853879928589
+CN1CC[C@@H](Nc2cccc(C(=O)N3CCOCC3)c2)C1=O,-1.3746602535247803
+O=C(Nc1ccc(Cl)cc1)N1CCCC(C(O)=Nc2ccccc2)C1,-1.0068185329437256
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0328385829925537
+O=C1CC(NCc2ccc(Cl)cc2)CN1c1ccccc1,-1.4320255517959595
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1858876943588257
+Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3779358863830566
+Cc1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(F)c1,-1.1251192092895508
+Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1,-1.2272449731826782
+O=C(NC1CCCCCC1)N1CCC(c2ccc(F)cc2)CC1,-1.2414132356643677
+C[C@@H]1Cc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2C1,-1.3305234909057617
+CCc1cc(C(=O)N2CCC(N3CCCCC3=O)CC2)no1,-1.0284361839294434
+COc1ccc(CC(=O)N2CCN(C(C)(C)C)CC2)cc1,-1.3481627702713013
+O=CNCc1cncc(O)c1,-1.9172910451889038
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3472485542297363
+O=C(NCc1ccc(Cl)c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.7435378432273865
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8204686641693115
+N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1,-1.3491367101669312
+CC(C)(C)CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1,-1.5320755243301392
+CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.6012589931488037
+O=C(NCc1ccc(F)c(F)c1)[C@H]1C[C@H]1C1CCOCC1,-1.0587118864059448
+O=C(O)CN1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.5480493307113647
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)no1,-1.1200910806655884
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1665724515914917
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.035688042640686
+O=C([C@@H]1CCc2ccc(F)cc2C1)N1CCC(c2ccc(Cl)cc2)CC1,-0.4071950614452362
+C[C@@H]1CN(c2ccccc2)C[C@@H](C)N1,-1.7150993347167969
+CCC1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.022068738937378
+Cc1ccc(CNC(=O)c2cc3cc(Br)ccc3s2)cc1,-0.9105542302131653
+Cn1ncc2ccc(CNC(=O)c3ccc([O-])cc3)cc21,-1.0835325717926025
+Cc1cccc(CNC(=O)c2ccc3oc(C)cc3c2)c1,-1.2543610334396362
+O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364700555801392
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1932804584503174
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.987433671951294
+C[C@@H]1CCCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.333725094795227
+CCC1CCC(NCCOc2ccc(C)cc2)CC1,-1.6187975406646729
+O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1ccc2[nH]cnc2c1,-0.9986918568611145
+O=C1NCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1,-1.0012081861495972
+Cn1cc(NC(=O)COc2ccc(Cl)c(F)c2)cn1,-1.2212079763412476
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-0.9866029024124146
+O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc2c(c1)OCCO2,-1.378773808479309
+CC(C)[NH+]1CCC[C@@H](NC(=O)N2CCOC3(CCC3)C2)C1,-1.4524972438812256
+CC(OCc1ccccc1)C(=O)N1CCN(C)C(=O)C1,-1.5402508974075317
+CCOc1ccc(NC(=O)C[C@H](C)COC)cc1,-1.6940151453018188
+O=C(NCc1cccc(I)c1)c1ccc2c(c1)OCCO2,-1.3214061260223389
+O=C(N[C@@H]1CC12CCOCC2)c1ccc(C(F)(F)F)cc1,-1.2498929500579834
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0389913320541382
+CC(C)C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1,-1.0128512382507324
+C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0189257860183716
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.4298627376556396
+CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(C)(C)C,-1.4762184619903564
+O=C(NCc1ccccc1)[C@H]1CCCC[NH+]1CCCO,-1.6110665798187256
+O=C(NCc1ccc(Cl)nc1)N1CCC2(CCOCC2)C1,-1.4116530418395996
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2387715578079224
+O=C(c1ccc(=O)[nH]n1)N1CCC(C[NH+]2CCCCC2)CC1,-1.1467279195785522
+Clc1cc(Cl)cc(CN2CC[NH+](Cc3ccccc3)CC2)c1,-1.1570271253585815
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.0987602472305298
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689154028892517
+C[C@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1,-1.5800487995147705
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908174753189087
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1246691942214966
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.1012673377990723
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2621005773544312
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3703088760375977
+O=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1,-1.3736618757247925
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2873798608779907
+N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1,-1.3362452983856201
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.964137613773346
+CCN1CCN(Cc2cccc(NC(C)C)c2)CC1,-1.5763983726501465
+C[NH+]1CCN(CCCNC(=O)c2ccc(O)c(Br)c2)CC1,-1.086509346961975
+Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0790849924087524
+Clc1ccc(-c2nc(C[NH2+][C@H]3CC34CCCCC4)no2)cc1,-0.9599795937538147
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1871905326843262
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2385293245315552
+Cc1ccc(C(=O)NCc2cc(F)c(F)c(F)c2)s1,-0.8878752589225769
+Fc1ccc(CNC2CCCCC2c2ccc(F)cc2)cc1,-1.1976317167282104
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1935656070709229
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160654067993164
+Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(C[NH3+])CC1,-0.6149419546127319
+Cc1ccc(CNC(=O)N2CCN3CCC(C)C3C2)cc1,-1.0862971544265747
+Cc1ccc(N2CCC(CNc3ccc(Cl)cc3)CC2)cc1,-1.175546646118164
+O=C(Nc1ccc(-c2cccs2)cc1)N1CC[NH+]2CCC[C@H]2C1,-1.0734487771987915
+C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2949458360671997
+O=C(NCCc1ccccc1)N1CCOC[C@@H](C2CCCC2)C1,-1.5102221965789795
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.166506052017212
+O=C(O)c1ccc(I)cc1C(=O)Nc1ccc(F)cc1,-1.1142295598983765
+O=C(c1ccc(Br)cc1F)N1CCC(Oc2ccccc2)CC1,-0.9983541369438171
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9602249264717102
+C[C@@H]1CN(c2ccccc2)C[C@@H](C)O1,-1.7784062623977661
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F,-1.1725471019744873
+Cc1ccccc1N1CCN(C(=O)Nc2cccc([NH3+])c2)CC1,-1.1213186979293823
+O=C(c1ccccc1O)N1CCC(Cc2ccc(Cl)cc2)CC1,-1.043287992477417
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0576722621917725
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.431652545928955
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3144817352294922
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0528326034545898
+CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.5364396572113037
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.968915581703186
+Cc1ccc(OCc2nnc(-c3ccc(Cl)cc3)n2C)cc1,-0.8703809380531311
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[nH]ncc2c1,-1.052771806716919
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)no1,-0.7579618096351624
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.489266037940979
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4620054960250854
+C[C@H]1C[NH+](Cc2ccc(I)cc2)CCN1CC1CCCCC1,-1.194387674331665
+O=C(NCc1ccc2ncsc2c1)c1ccc(F)c(F)c1,-0.911532998085022
+Cc1noc2ccc(CNC(=O)Cc3ccccc3)cc12,-1.347495675086975
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2819194793701172
+O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-0.9898588061332703
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665090322494507
+O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1,-1.5481467247009277
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cnc2[nH]ccc2c1,-0.827174723148346
+Cc1ccc(Br)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0003011226654053
+O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCCCC2)CC1,-1.0772050619125366
+O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9610335230827332
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1c[nH]c2ccccc12,-1.1364821195602417
+O=C([O-])C[NH+]1CCCC[C@H]1NC(=O)c1ccc(F)cc1,-1.3791331052780151
+CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,-1.2121609449386597
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9007389545440674
+O=C(CCc1ccc(Br)cc1)NCc1ccc(F)cc1F,-1.0217591524124146
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0273064374923706
+CCCCCCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1,-1.5457900762557983
+O=C(CCc1ccncc1)N1CCN(Cc2ccccc2)CC1,-1.5061280727386475
+O=C(Nc1nc2ccccc2s1)C1(c2ccccc2)CCCC1,-1.077425479888916
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9644777178764343
+Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cn1,-0.9802752137184143
+O=C(Cc1ccc(I)cc1)NCc1nc2ccccc2s1,-0.9258459210395813
+CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.2622101306915283
+CS(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1,-1.5522834062576294
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.084882378578186
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCCO1,-0.9659225344657898
+Cc1nn(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1,-0.8463345170021057
+CC(=O)Nc1ccc(OCC2CCCCC2)cc1,-1.6848478317260742
+Oc1ccc(CNc2ccccc2-c2ccc(O)cc2)cc1,-1.3706752061843872
+O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1F,-0.8098129630088806
+CC[NH+]1CCN(Cc2nc(-c3ccc(Cl)c(Br)c3)no2)CC1,-0.6886219382286072
+COc1ccc(C(=O)Nc2ccc3c(c2)OCCCCO3)cc1,-1.296449065208435
+O=C(NCc1nc2cc(F)ccc2s1)c1ccc(F)cc1,-0.7632476687431335
+O=C(Nc1ccccc1)C(=O)N1CCC(C2CCCC2)CC1,-1.3907350301742554
+O=C(Nc1ccc(-c2ccccc2)cc1)C1CC(F)(F)C1,-1.2899444103240967
+O=C(Nc1ccc(Cl)cc1Cl)c1cccc(-c2ccccc2)c1,-1.0059837102890015
+c1ccc(-c2noc(-c3ccc(OC4CCOCC4)cc3)n2)cc1,-1.3085136413574219
+Cc1cccc(C[C@@H](O)CNC(=O)c2cccc(Br)c2)c1,-1.362363338470459
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8723587989807129
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0564758777618408
+O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1Cl,-0.9542620778083801
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.20835280418396
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0237159729003906
+c1ccc(-c2ccc(C[NH+]3CCC[C@@H]3c3ccccc3)cc2)cc1,-1.3626049757003784
+O=C(N[C@H]1CCCN(c2ccc(F)cc2Cl)C1)C1CCCCC1,-0.8558887839317322
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0788037776947021
+COc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1,-1.5270417928695679
+CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1,-1.078994870185852
+CC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1,-1.426329255104065
+Cc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1,-1.5120532512664795
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5985220670700073
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948068261146545
+Cc1ccc(NC(=O)C[NH+]2CCN(C3CCOCC3)CC2)cc1,-1.476258635520935
+O=C1CN(C(=O)Nc2ccccc2-c2ccccc2)CCN1,-1.3479551076889038
+CN1CCN(c2ccccc2NC(=O)c2ccccc2)C1=O,-1.1979542970657349
+O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.8295429944992065
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-0.9558927416801453
+O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.5032535791397095
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.223456859588623
+Cc1cccc(CNC(=O)c2cn3cc(C)ccc3[nH+]2)c1,-1.215161681175232
+Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)n[nH]1,-1.2946144342422485
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.8967150449752808
+O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(Cl)cc1,-1.1131303310394287
+Cc1cc2cccc(CNC(=O)[C@H]3CCC[NH+](C)C3)c2[nH]1,-1.108241319656372
+C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1,-1.5296292304992676
+C[NH+](C)CC(=O)NC1CCN(c2ccc(Cl)cc2F)CC1,-0.9041401743888855
+Fc1ccc(-c2ccc(OCc3ccc(I)cc3)cc2)cc1,-1.151746153831482
+C[C@@H](CCc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1,-1.2428629398345947
+Nc1ccc(CCS(=O)(=O)NCc2ccccc2)cc1,-1.6168409585952759
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8959428071975708
+CC(C)c1ccc(NC(=O)N2CC3(CCOCC3)C2)cc1,-1.5147278308868408
+O=C(CN1CCCC1=O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.3670531511306763
+CC1(C)CN(C(=O)N2CCN(c3ccc(Cl)c(F)c3)CC2)CCO1,-0.7706292271614075
+O=C(CC(F)(F)F)N[C@H]1CCCC[C@@H]1Cc1ccccc1,-1.304291009902954
+COC(=O)c1cccc(C(=O)Nc2ccccc2)c1,-1.6141968965530396
+O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CC12CCOCC2,-1.5028325319290161
+COc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.2675021886825562
+Cc1nc(C[NH+]2CCN(Cc3ccc(F)cc3F)CC2)cs1,-0.7952759861946106
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(C)c2)CC1,-1.0313856601715088
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.275966763496399
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0466033220291138
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1215142011642456
+CC1CC[NH+](CCNC(=O)c2ccc3c(c2)OCO3)CC1,-1.3862662315368652
+O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.89155113697052
+O=C(Nc1ccc(-c2ccccc2O)cc1)c1ccc(Cl)nc1,-0.9786623120307922
+O=C1C[C@H](Nc2ccc(Br)cc2)CN1CC1CCCCC1,-1.2552818059921265
+CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3268874883651733
+Cc1ccc(CN2CCNCC2)o1,-1.834627389907837
+CC(C)(O)Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1,-1.5414345264434814
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1Cl,-0.8056942224502563
+O=C(c1ccon1)N1CC[C@](O)(Cc2ccc(Cl)cc2)C1,-1.4082084894180298
+O=C(Nc1cccc(Cl)c1)[C@H]1CCC[NH+]1CCC(F)(F)F,-1.0805468559265137
+O=C(Nc1cc(Cl)ccc1F)c1ccc(N2CCOCC2)cc1,-0.9641433954238892
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9529948830604553
+O=C(N[C@H]1CC12CCCC2)c1ccc(Cl)cc1,-1.5388083457946777
+COc1ccc(C(=O)N2CCC(c3ccc([NH3+])cc3)CC2)cc1,-1.1290221214294434
+C[NH+]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)CC1,-1.491486668586731
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3625494241714478
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9728483557701111
+Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)o1,-1.0917677879333496
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.057456612586975
+O=C(CC1CCCCC1)NC[C@H]1CCOC2(CCCC2)C1,-1.6151857376098633
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568345785140991
+O=C(c1ccccc1NCC(F)(F)F)N1CCC[C@H](O)C1,-1.088066577911377
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1F,-0.8968058824539185
+O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)N1,-1.5936917066574097
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)nc1,-0.9380834698677063
+C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0915768146514893
+C[C@H]1CSCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.8627461791038513
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9329496026039124
+C[NH+]1CCN(C(=O)NC2CC(c3ccc(F)cc3)C2)CC1,-1.117643117904663
+Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)cc2F)cc1,-0.8728830218315125
+C[C@H]1CC(=O)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C1,-1.2434308528900146
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0169177055358887
+CC(N)CC(=O)Nc1ccc(Oc2ccc(I)cc2)cc1,-1.4091768264770508
+O=C(N[C@@H]1CCCO[C@@H]1c1ccccc1Cl)c1ccc(O)cc1,-1.0673483610153198
+O=C(NCCCc1ccc(F)cc1)c1ccc(O)c(O)c1,-1.3068757057189941
+O=C(N[C@H]1CC[NH+]2CCCC[C@H]2C1)C1CC(c2ccccc2)C1,-1.203031301498413
+CC(C)(C)c1ccc(C(=O)Nc2cc(Br)ccc2F)cc1,-0.7853240370750427
+CC(C)C(C(=O)O)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9790952205657959
+CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)nc2)CC1,-1.3984065055847168
+O=C(Cc1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1,-1.3147327899932861
+O=C(CSCc1ccccc1)Nc1ccccc1,-1.6980319023132324
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4638938903808594
+Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1C,-0.47514405846595764
+C[C@H](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)[O-],-1.0871394872665405
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1,-0.7736643552780151
+Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl,-1.2403696775436401
+CCOc1ccc(C(=O)Nc2nc(C)cs2)cc1,-1.5854166746139526
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3C)CC2)cc1,-1.1015950441360474
+Fc1ccc(CN2CCNCC2)cc1,-1.7622624635696411
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.078343391418457
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1265872716903687
+Cc1cc(-c2ccccc2)c(OCc2ccccc2)cc1O,-1.3613165616989136
+Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1,-1.0731816291809082
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8518694043159485
+C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCCO2)CCO1,-1.6902945041656494
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)c1,-1.1325187683105469
+O=C(c1cncnc1C1CC1)N1CCC(c2ccccc2)CC1,-1.0001417398452759
+Fc1ccc(CNc2cccnc2N2CCOCC2)cc1F,-1.0336183309555054
+Cc1cc(Cl)ccc1NC(=O)c1cccnc1-c1ccccc1,-0.889827311038971
+CCCC[NH+]1CCN(C(=O)Nc2c(C)sc3ccccc23)CC1,-0.9588829874992371
+[NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1CC12CCC2,-1.5112993717193604
+COC(=O)c1ccc(C(=O)N2CCc3cc(C)sc3C2)cc1,-0.8487389087677002
+O=C(CN1CCN(c2ccc(Cl)c(F)c2)CC1)c1cc2ccccc2o1,-0.6303324103355408
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9931688904762268
+Cc1ccc(OCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.429906964302063
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5155723094940186
+CCc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1,-1.1470134258270264
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.950369656085968
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1S,-1.0822337865829468
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020824909210205
+O=C(Nc1cc(Cl)ccc1F)c1ccc(-c2ccccc2)cc1,-0.9670427441596985
+Cc1nnc(C[NH+]2CCN(C=O)CC2)s1,-1.5106885433197021
+CN1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.28150475025177
+CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.243786334991455
+CC(C)[C@H](O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5256448984146118
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1141780614852905
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.4103597402572632
+O=C(Nc1ccc(Cl)cc1O)C1CCN(c2ccccc2)CC1,-1.0093142986297607
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)s1,-0.8497284054756165
+Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)c1,-1.5672346353530884
+CCC1CCN(C(=O)C(=O)N[C@H]2C[C@H]2C2CCOCC2)CC1,-1.3237111568450928
+CC[NH+]1CCCC[C@@H]1C(=O)NCc1cc(C)on1,-1.5550366640090942
+COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N3)cc1,-1.4339141845703125
+Cc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.2276067733764648
+Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-1.0945039987564087
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(O)cc2)CC1,-1.064674973487854
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)s1,-1.042414903640747
+O=C(CC1CCOCC1)NCc1c[nH]c2cc(F)ccc12,-1.287296175956726
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.9403759241104126
+C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C[C@H](C)O1,-1.492846965789795
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)ccc1F,-0.9789029955863953
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0360828638076782
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(N)c1,-1.0726712942123413
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-1.002872109413147
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cn2)CC1,-0.9623465538024902
+C[NH+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.390725016593933
+O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1c1ccccc1,-1.3324068784713745
+O=C(Nc1nnc(C2CCCCC2)s1)c1c[nH]c2ccccc12,-0.8227819800376892
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(O)c1,-1.0906543731689453
+Cc1cc(NC(=O)NCCc2ccccc2)no1,-1.6788314580917358
+C[C@@H](C(=O)NCCOc1ccc(Br)cc1)C(C)(C)O,-1.5154837369918823
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.3560854196548462
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9871894717216492
+Cc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1,-0.8680864572525024
+Cc1cc(OCc2ccc(C3CCCCC3)cc2)ccc1I,-1.1939059495925903
+C[NH+]1CCC(CNC(=O)N2CCC3(CCOCC3)C2)CC1,-1.552651047706604
+CC(C)(CNC(=O)[C@H]1CCCCO1)Cc1ccc(Br)cc1,-1.4583375453948975
+Cc1ccc(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1,-1.5284825563430786
+Cn1cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2n1,-0.9707398414611816
+[NH3+][C@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.1646277904510498
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8751012086868286
+Cc1cccc(CNCc2ccccc2S(N)(=O)=O)c1,-1.5730531215667725
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604595184326172
+Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)no1,-1.1071820259094238
+CCC(O)=Nc1cc(NC(=O)N2CC(C)OC(C)C2)ccc1C,-1.0627375841140747
+Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl,-1.1352123022079468
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0791012048721313
+Cc1ccccc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0965394973754883
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nc[nH]c2c1,-0.8890256881713867
+Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2630945444107056
+Cc1ccccc1C(=O)N1CCN(CC2CC[NH+](C)CC2)CC1,-1.1253795623779297
+Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.0495191812515259
+O=C(Nc1ccccc1)N1CCN(c2ccccc2)C(=O)C1,-1.4673094749450684
+O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1,-0.8098635077476501
+Cc1cc(NC(=O)COc2cc(Br)ccc2F)ccc1Cl,-0.8406311273574829
+Cc1ccc(C(=O)N2CC[NH+](CCN3CCOCC3)CC2)cc1,-1.4460582733154297
+O=C(Nc1ccc(F)cc1)C1(c2ccc(Br)cc2)CCC1,-1.1358262300491333
+C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1,-1.0520797967910767
+O=C(Nc1ccc(Br)cc1)N1CC(c2ccc(F)cc2)C1,-1.0335750579833984
+C[NH+]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5601764917373657
+O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccncc1O,-1.0043883323669434
+C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2O)CC[C@H]1c1ccccc1,-1.1987594366073608
+[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9551802277565002
+Cc1cccc(NC(=O)N2CC(c3cccc(F)c3)C2)c1,-1.3347591161727905
+Cc1ccc(-c2ccc(NCc3ccc(Br)cc3)cn2)cc1,-1.1040699481964111
+Cc1ncnn1-c1ccc(NC(=O)Cc2ccccc2F)cc1,-0.927078127861023
+C[NH+]1CC[C@H](NC(=O)NCCc2ccccc2)C1,-1.6813809871673584
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cn1,-0.8309690356254578
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8470914959907532
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.085039496421814
+Cc1ccc2ncn(CC(=O)NCc3ccccc3)c2c1,-1.3528449535369873
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4316486120224
+NS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.145150899887085
+CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.065899133682251
+O=C(CCOc1ccccc1)Nc1ccc2oc(=O)[nH]c2c1,-1.5157687664031982
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.8894472718238831
+O=C(Nc1ccc([O-])cc1)c1ccc(N2CCCC2=O)cc1,-1.375145435333252
+COC(=O)CNC(=O)Cc1cc(F)c(F)c(F)c1,-1.2791461944580078
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9714267253875732
+Nc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0912481546401978
+Cc1nc(-c2ccccc2NC(=O)[C@@H]2CC[NH+](C)C2)no1,-1.096659541130066
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1199601888656616
+C[C@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4338358640670776
+CC(C)(C)C(=O)NCC1CCN(c2cccc(Br)c2)CC1,-1.0734844207763672
+O=C(N[C@H]1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1F,-0.8728542327880859
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0722737312316895
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9653429985046387
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1I,-0.947490930557251
+Cc1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0958211421966553
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2[nH]1,-0.8129561543464661
+C[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[C@@H]1C(=O)[O-],-1.1038129329681396
+O=C(Nc1ccc(O)cc1Cl)N1CCCC[C@H]1C(F)(F)F,-0.7610968351364136
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2334343194961548
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8541067838668823
+Cc1nc(NC(=O)[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.7376958131790161
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3603941202163696
+Cc1ccc(CNCc2ccc3c(c2)CC(C)O3)cc1,-1.4183443784713745
+Cc1ccc(NC(=O)C2CC[NH+](C3CCOCC3)CC2)c(C)c1,-1.1160366535186768
+[NH3+][C@H]1CC[C@H](C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1,-0.9929469227790833
+Cc1cccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)n1,-1.0077444314956665
+CC1CCCN(C(=O)CNC(=O)c2cc3ccccc3s2)C1,-1.0182878971099854
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1,-1.0488399267196655
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)N1CCCCCC1,-1.3970346450805664
+COc1cccc(CNC(=O)c2cnn(C)c2)c1,-1.6107094287872314
+Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Br)c1,-0.9529362916946411
+O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2740256786346436
+Fc1ccc(CNc2nccnc2-c2ccc(F)cc2)cc1,-1.0439845323562622
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.6869086623191833
+CC(O)(CNC(=O)N1CCCC(O)C1)c1ccc(F)cc1,-1.503683090209961
+Nc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1,-1.0223499536514282
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3Br)cc2)cc1,-1.0081573724746704
+CCOc1ccc(CNc2cc(F)ccc2Br)cc1,-1.4834843873977661
+C[C@@H]1CN(C(=O)NCc2cc3ccccc3o2)C[C@H](C)O1,-1.3977969884872437
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cccc(F)c1,-1.0110976696014404
+CC1CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1,-1.471783995628357
+NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3)CC2)C1,-1.0637503862380981
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3089042901992798
+CC(O)(CC(=O)NCc1ccc(O)cc1)c1ccccc1,-1.5983096361160278
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-1.0688387155532837
+COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc1,-1.0869802236557007
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0845301151275635
+Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(Cl)c1,-0.9875012636184692
+N#Cc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1,-1.2911499738693237
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1215178966522217
+C[C@@H]1C[NH+](CCCNC(=O)c2cccc(Cl)c2)C[C@H](C)O1,-1.4792795181274414
+O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCOC2=O)cc1,-1.513606309890747
+Cc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)c(C)c1,-1.067503571510315
+Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccccc12,-1.0872251987457275
+O=C([O-])c1ccc(NC(=O)N2CC[C@@H](C3CC3)C2)cc1,-1.251743197441101
+C[C@@H]([NH2+]CC1CCOCC1)C(=O)NC1CCCC1,-1.7029441595077515
+Fc1ccc(N2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1,-1.017730474472046
+CC(Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1Cl,-0.8516489863395691
+C[NH+]1CCC[C@H](CNC(=O)Cc2ccccc2)C1,-1.6761512756347656
+O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6355804204940796
+Cc1ccc2nc(CNC(=O)c3ccc(O)cc3)[nH]c2c1,-1.0537384748458862
+Cc1ccc(-c2nc(COc3ccccc3C)no2)cc1F,-0.98968905210495
+Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1,-0.9998537302017212
+CC(C)(O)CC(=O)N[NH+]1CCCCC1,-1.8369742631912231
+Cc1nc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9555176496505737
+CC1=CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1,-1.3634651899337769
+C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.188354730606079
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8869705200195312
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0572266578674316
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852470636367798
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2169855833053589
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5145851373672485
+Cc1ccc(CNC(=O)N2CCCC3(CCOCC3)C2)o1,-1.5710911750793457
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023247241973877
+CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.6377495527267456
+Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1,-1.1596143245697021
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1F,-1.0547646284103394
+O=C(c1cccc(Br)c1Cl)N1CCN(CC2CCCCC2)CC1,-0.6561249494552612
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399845838546753
+Cc1cc(Br)ccc1NC(=O)N1CCC(C(C)(C)C)CC1,-0.8206914663314819
+O=C(c1cccc(F)c1O)N1CCN(Cc2ccccc2)CC1,-1.2274479866027832
+COc1ccc(NCc2ccc(S(N)(=O)=O)cc2)cc1,-1.5974313020706177
+COc1ccc(C(=O)NCc2ccc(Br)[nH]2)cc1,-1.5608930587768555
+Cc1cccc(CC(=O)N[C@H](C)c2c(Cl)cccc2Cl)c1,-0.8493998050689697
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.941508948802948
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.509537935256958
+N#Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1,-1.5501723289489746
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1855815649032593
+O=C(Cc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1,-1.252333164215088
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0812714099884033
+O=C(NC[C@H]1CCC[NH+](C2CC2)C1)c1ccns1,-1.4414304494857788
+O=C(Nc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1,-0.9781372547149658
+Cc1cc(Cl)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9631053805351257
+Cc1cc(C(=O)Nc2cnoc2-c2ccc(Cl)cc2)n[nH]1,-1.068812608718872
+CC1CCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)CC1,-1.3752543926239014
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749900341033936
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1279385089874268
+Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Br,-1.118852972984314
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9148763418197632
+Cc1ccn(CC(=O)Nc2ccc(N3CCCC3)cc2)n1,-1.4171322584152222
+Clc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl,-1.1100941896438599
+CC[NH+]1CCC[C@@H](C(=O)NCc2ccc(Br)s2)C1,-1.2411295175552368
+c1ccc(Sc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1,-1.1420574188232422
+C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.3026671409606934
+CN1CC[C@@H](CNC(=O)[C@H]2CC23CCOCC3)CC1=O,-1.4391921758651733
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1,-1.212714433670044
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1786643266677856
+CC(C)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1,-1.0554124116897583
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2011035680770874
+Cc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1,-1.2753628492355347
+C[C@@]1(O)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.354238748550415
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.160740852355957
+CC1CC(C)C[NH+](C2CCCC2NC(=O)c2cccs2)C1,-1.081515908241272
+O=C(NC[C@@H]1CCCCO1)N[C@H]1CCC[C@@H](O)C1,-1.6776251792907715
+Cc1cc(NCc2ccc(-c3ccccc3)nc2)ccc1F,-1.1516330242156982
+Cc1ccc(CN(C)C(=O)c2ccc3c(c2)OCO3)cc1,-1.281387209892273
+C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Cc2ccc(Br)cc2)C1,-0.9127820134162903
+NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4248785972595215
+CC1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.0407370328903198
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.218583345413208
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(F)c1,-0.998069167137146
+Nc1ccc(N2CCC(NC(=O)C3CCOCC3)CC2)c(F)c1,-0.9826804995536804
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(F)c1,-1.0986287593841553
+CC1(C)[C@H](C2CCOCC2)[C@@H]1NC(=O)c1ccccc1F,-1.0825563669204712
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9502230286598206
+O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1,-1.1192402839660645
+C[C@H]1CN(c2ccc(Cl)cc2)CC[C@H]1NC(=O)c1ccccc1,-0.9742738008499146
+O=C(Nc1ccccc1)C(=O)N1CCCCC1,-1.7007941007614136
+O=C(Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1,-1.2651666402816772
+O=C(Cc1ccncc1)N1CCN(Cc2ccc(F)cc2)CC1,-1.4478256702423096
+O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1345289945602417
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(Cl)c2)s1,-1.163775086402893
+Cc1nnc(SCC(=O)NCc2ccccc2)o1,-1.6186299324035645
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0743690729141235
+C[NH+]1CCC[C@H](C(=O)NCc2ccc3occ(Cl)c3c2)C1,-1.0248429775238037
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1I,-0.9176816344261169
+O=C(Nc1ccc(F)cc1F)c1cccnc1N1CCCCC1,-0.8046584129333496
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863751292228699
+C[C@H]1CCCC[NH+]1CC(=O)NCc1ccc2c(c1)OCO2,-1.41900634765625
+Cc1ccc(NC(=O)NCc2cccs2)c(I)c1,-1.3649121522903442
+CC(N=C(O)Cc1ccc(F)cc1)C(=O)Nc1cccc(F)c1,-1.1083450317382812
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5168594121932983
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCCCC2)cc1,-1.1509709358215332
+O=C(COc1ccc(Br)cc1)N[C@@H]1CC[NH+]2CCCC[C@H]12,-1.2195006608963013
+CS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2)cc1,-1.5441370010375977
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cn1,-0.9296095371246338
+Cc1ccc(NC(=O)c2ccccc2C)cc1,-1.633743166923523
+CC(C)c1ccc(NC(=O)c2cc(Cl)cc(F)c2O)cc1,-0.6496239304542542
+Cc1cc(CNC2CCN(c3ccccc3)CC2)ccc1F,-1.2851831912994385
+Cc1cc(C(=O)NCC2CC3(CCC3)C2)ccc1Br,-1.301831841468811
+C[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1,-1.4863922595977783
+Fc1ccc(CC2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.3849836587905884
+Cc1ccc(NC(=O)c2coc(C3CCCC3)n2)cc1F,-1.0599759817123413
+COc1ccc(C(=O)N2CCN(C(=O)C(C)C)C[C@@H]2C)cc1,-0.9639971852302551
+C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3F)CC2)CC1,-0.9879603385925293
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846737623214722
+CC(C)COc1ccc(NCc2ccccc2)cc1,-1.7140157222747803
+Fc1ccc(CC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3823437690734863
+O=C(NCc1ccc(Cl)cc1)N1CC[C@H](C2CCCC2)C1,-1.1959346532821655
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9644991755485535
+O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1)C1CCCCC1,-0.9238919615745544
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.427680253982544
+O=C(C[NH+]1CCC[C@H]2CCC[C@@H]21)NCc1ccc(Br)cc1,-1.0960217714309692
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4318398237228394
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0605376958847046
+C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Cl)cc2)CC1,-0.8385913968086243
+CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0241608619689941
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1,-0.985122799873352
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.1043975353240967
+O=C(Cc1ccccc1Br)Nc1ccc(C(F)(F)F)cc1,-1.0329092741012573
+Nc1ccc(CNc2ccnc(-c3ccc(Cl)cc3)n2)cc1,-1.036344289779663
+Cc1nn(-c2ccc(Cl)cc2)cc1NC(=O)c1ccco1,-1.0264748334884644
+CCOC(=O)CCOc1ccc([C@@H]2CCCOC2)cc1,-1.640885829925537
+CC1(NC(=O)c2ccnn2-c2ccc(Cl)cc2)CCCC1,-1.1357208490371704
+CCc1cc(C(=O)NCc2ccc(Br)nc2)no1,-1.4620509147644043
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0053062438964844
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9585039615631104
+O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)nc1,-0.9691730737686157
+C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1944130659103394
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.5222607851028442
+c1ccc(CN2CCN3CCN(Cc4ccccc4)CC3C2)cc1,-1.3858200311660767
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3728349208831787
+c1ccc(CNc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.060340166091919
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.294716238975525
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2699283361434937
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)O1,-1.528067946434021
+O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.0757391452789307
+CCC1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-0.9823856353759766
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0393058061599731
+O=C(O)c1ccc(COCC2CCCCC2)cc1,-1.6501468420028687
+Cc1ccc(CC2CCN(C(=O)c3ncccc3F)CC2)cc1,-0.9635594487190247
+Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)cc1,-1.4576115608215332
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2780914306640625
+c1ccc(CN2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1,-1.3616317510604858
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.2178314924240112
+C[NH+]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.170377254486084
+O=C(NCc1ccc(F)cc1)NC1CCCCC1,-1.6678528785705566
+CN1CCC(NCc2ccc(-c3ccc(Br)cc3)cc2)CC1,-1.1268336772918701
+Cc1ccccc1C(=O)Nc1cccc(N2CCN(C)CC2)c1,-1.1291230916976929
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1,-0.8765743374824524
+CCC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1,-1.145298719406128
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.390952467918396
+CC(=O)N1CCC(NC(=O)c2ccc(C)c(C)c2)CC1,-1.1359423398971558
+Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n[nH]1,-1.0552623271942139
+O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8915961980819702
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547774076461792
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.92393958568573
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9533318877220154
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9617355465888977
+C[NH+]1CCN(C(=O)CNc2ccc(N3CCOCC3)cc2)CC1,-1.3962050676345825
+Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0561532974243164
+NC(=O)c1ccc(CNCC2CCCCC2)cc1,-1.6324161291122437
+O=C1CC(Cc2ccc(Cl)cc2)CN1Cc1ccccc1,-1.4312201738357544
+c1cc(N2CCOCC2)ccc1C[NH+]1CCC[C@@H]1C1CCOCC1,-1.3951613903045654
+O=C(Nc1ccc(O)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.2603520154953003
+O=C(Nc1ccccc1)C(=O)N1CCC(c2ccccc2)C1,-1.5468547344207764
+Oc1cc(-c2ccc(OCc3ccccc3)cc2)nc(O)n1,-1.2817692756652832
+CC(=O)Nc1ccc(NCC2CCCCC2)cc1,-1.6635499000549316
+c1ccc(C[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)cc1,-1.3323678970336914
+CC(C)[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1,-1.4153488874435425
+c1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1,-1.4607445001602173
+c1cc(C[NH+]2CC[C@@H]([NH+]3CCCCC3)C2)cc(N2CCOCC2)c1,-1.4855105876922607
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641967296600342
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)no1,-1.1470556259155273
+CC(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1,-1.5641565322875977
+CCOc1ccc(NC(C)Cc2ccccc2)cc1,-1.6580137014389038
+O=C(N[C@@H]1CCC(=O)N1c1ccccc1)c1ccccc1F,-1.1359267234802246
+CC(=O)c1ccc(NC(=O)c2cccc3c2OCCO3)cc1,-1.1854159832000732
+CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1,-1.0477513074874878
+O=C(NCCc1ccc(Br)cc1)[C@H]1CCCCO1,-1.557186245918274
+Cc1ccc(N2CCC(C(=O)N3CCOC4(CCOCC4)C3)CC2)cc1,-1.1910924911499023
+O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.2533011436462402
+CC(C)(C)C(=O)N1CC[NH+](Cc2ccc3ccc(O)cc3c2)CC1,-0.9110238552093506
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2o1,-1.0151976346969604
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0651812553405762
+c1ccc(CNCC2CC(N3CCOCC3)C2)cc1,-1.6550596952438354
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)cc1,-1.3605839014053345
+Nc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1F,-1.2541834115982056
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2362970113754272
+C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1,-1.4597091674804688
+O=C(Cn1cc2ccccc2n1)NCc1ccc(F)cc1,-1.2893455028533936
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617077112197876
+O=C(Cc1ccc(Br)cc1)NC[C@H]1C[C@@H]1C1CCOCC1,-1.2972124814987183
+CCc1ccc(NC(=O)C=O)cc1,-1.8436707258224487
+Cc1cc(N)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1559480428695679
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0707855224609375
+O=C(O)C(=O)N1CCCCC1NCc1ccc(Cl)cc1,-1.2609504461288452
+O=C1Cc2c(cccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)N1,-0.6364518404006958
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.129404902458191
+O=C(Nc1ccc(Cl)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.204270839691162
+Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1499618291854858
+Cc1ccccc1CN1CCN(C=O)CC1,-1.7020841836929321
+C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.8943227529525757
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8892865777015686
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1959741115570068
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.011953353881836
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.6797888278961182
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0627747774124146
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1F,-1.0845106840133667
+CC(C)C(=O)N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1,-0.5913545489311218
+O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1,-0.9144068360328674
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.410115122795105
+O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2[nH]1,-0.9096609950065613
+Cc1ccc(N2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc1,-0.5841852426528931
+O=C(Nc1ccccc1)C1CCN(c2ccc(Cl)cc2F)CC1,-0.922374427318573
+COc1ccc(C(=O)N2CCCC3(CCSCC3)C2)c(OC)c1,-1.140084981918335
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.0114837884902954
+O=C(Nc1ccn(C2CCCCC2)n1)c1cc2ccccc2[nH]1,-1.0246120691299438
+Nc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.093217134475708
+C[C@H]1CN(C(=O)NC2(c3ccccc3)CCC2)CC[NH+]1C,-1.4897634983062744
+O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2o1,-1.1816109418869019
+CCCCNC(=O)Nc1ccc(N2CCSCC2)cc1,-1.55001699924469
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0274286270141602
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1O,-1.1883357763290405
+Nc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0463879108428955
+C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4260920286178589
+Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.0670428276062012
+c1ccc(C[NH+]2CCC(c3nnnn3-c3ccccc3)CC2)cc1,-1.2217212915420532
+O=C(NCc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]1,-1.6004468202590942
+CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.6016318798065186
+Fc1ccc(OCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1809978485107422
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1007415056228638
+Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2147420644760132
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241883039474487
+O=C(NCC1CCC2(CC1)OCCO2)c1cccc(F)c1,-1.5828131437301636
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1,-1.1128442287445068
+CC(=O)C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1,-1.5367976427078247
+Oc1cc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-1.0054675340652466
+Cc1nc2ccc(C(=O)NCc3ccc(F)nc3)cc2s1,-0.7666337490081787
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(O)cc2)CC1,-1.0350863933563232
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2009012699127197
+O=C(N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.0491777658462524
+C[C@@H]1CC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1,-1.1113370656967163
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2s1,-0.7707667350769043
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2637141942977905
+O=C(Cc1cccnc1)NC1CCN(CC(F)(F)F)CC1,-1.4053258895874023
+Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1F,-1.2118967771530151
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.0991134643554688
+Nc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1Cl,-0.8726302981376648
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2nc[nH]c2c1,-1.0728155374526978
+CC(C)c1ccc(C(=O)NC[C@H]2CCCO2)cc1,-1.608852744102478
+CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1,-1.5393998622894287
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)n1,-0.939161479473114
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9923577308654785
+Cc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.0846112966537476
+CCC[C@@H](C)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.3660653829574585
+Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.154691457748413
+O=C(c1ccc(F)cc1)N1CCCC1,-1.7275056838989258
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874416589736938
+Cc1cccc(NC(=O)COc2c(C)cc(C)cc2C)c1,-1.3586069345474243
+C[C@H]1COCCN(C(=O)Nc2ccccc2-c2ccccc2)C1,-1.4235389232635498
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.216775894165039
+O=CNc1ccc2c(c1)CCCC2,-1.783417820930481
+O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCc2ccccc2C1,-1.119064450263977
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@@H]2C)cc1,-1.4649937152862549
+O=C(c1ccc(Br)cc1I)N1CC[NH+](Cc2ccccc2)CC1,-0.8271502256393433
+COc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)cc1,-1.2813518047332764
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0334316492080688
+O=C([O-])C1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1,-1.1320995092391968
+c1ccc(-c2noc(CNCc3cccs3)n2)cc1,-1.5648634433746338
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1210896968841553
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5271221995353699
+Cc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6624939441680908
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.077475666999817
+O=C1C[C@@H](COc2ccc(Br)cc2)CN1c1ccccc1,-1.4127458333969116
+Nc1ccc(O)c(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1,-1.1284654140472412
+Cc1ccc(CNC(=O)[C@@H]2CC23CCCC3)cc1C,-1.3665753602981567
+O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.2253848314285278
+Cc1cc([NH3+])ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1682082414627075
+Cc1cc(F)ccc1CC(=O)NCCc1ccc(Br)cc1,-1.2340890169143677
+Nc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1,-1.1940078735351562
+C[C@H](OCc1ccccc1)C(=O)N1CCC2(CCCO2)C1,-1.6062177419662476
+c1ccc(Cc2ncc3c(n2)CC[NH+](Cc2ccccc2)C3)cc1,-1.0511374473571777
+N#Cc1ccc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1,-0.8884281516075134
+O=C(N[C@H]1CCO[C@@H](c2cc(F)ccc2F)C1)c1ccccc1,-1.1870477199554443
+Cc1cc(NC(=O)NCCc2ccccc2)no1,-1.6788324117660522
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0645387172698975
+Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1,-1.1399431228637695
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.3248544931411743
+Nc1cccc(CN2CCC(Nc3ccc(F)cc3)CC2)c1,-1.273980736732483
+CC(C)(C)C(=O)Nc1ccc(CN2CCNC2=O)cc1,-1.4177298545837402
+Cc1noc(-c2ccc(NC(=O)c3cnc(C)s3)cc2)n1,-0.8938557505607605
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9962470531463623
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Br)cc2[nH]1,-0.8720397353172302
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)[nH]1,-1.252556324005127
+O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2F)cc1,-0.9792462587356567
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-1.019195318222046
+c1ccc(-c2ccc(Nc3nnc(-c4ccccc4)o3)cc2)cc1,-1.268218994140625
+O=C(Cn1cnc2ccc(Br)cc21)NCc1ccccc1,-1.2802811861038208
+CC1(C)CCN(c2ccc(OCc3ccccc3)cc2)CC1,-1.52143394947052
+Cc1ncccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9911332726478577
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.933142900466919
+O=C(COc1ccccc1)NCC[NH+]1CCCC1,-1.7400002479553223
+CC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)c3cccs3)C2)C1,-1.0329328775405884
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.0560884475708008
+NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1,-0.9422914981842041
+Cc1cc(F)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.0332823991775513
+O=C(C[NH+]1CCOCC1)NCc1ccc2c(c1)CCCO2,-1.544581651687622
+O=C(Nc1ccc(-c2ccc(F)cc2Cl)cc1)c1ccccc1,-0.9729657173156738
+C[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.9293573498725891
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9710122346878052
+O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(Cl)s1,-0.910071074962616
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3267186880111694
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0902193784713745
+Cc1cnccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.889772891998291
+CCc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.3608696460723877
+C[NH+](C)C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.1413594484329224
+Cn1cc2c(n1)CCN(C(=O)NCc1cccc(Br)c1)C2,-0.8296889066696167
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2283645868301392
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7714338898658752
+CC1(C)CCC([NH2+]Cc2ccc(C3CCOCC3)cc2)CC1,-1.5495750904083252
+O=C(NCc1ccc(Cl)cc1)N1C[C@H]2CCCC[C@]2(O)C1,-1.285668969154358
+O=C(c1ccc2[nH]ccc2c1)N1CCC(C[C@@H]2CCCO2)CC1,-1.1548632383346558
+c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1,-1.0693597793579102
+Cc1ccc(C(=O)N[C@H]2C[C@@H](c3ccc(F)cc3)C2)cn1,-1.1779426336288452
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.130132794380188
+Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1C,-1.2755889892578125
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.9082061648368835
+Clc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cc1Cl,-1.0596297979354858
+O=C1CCC2(CC1)CCN(C(=O)c1cc(-c3ccccc3)no1)CC2,-1.107953429222107
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1841638088226318
+O=C([O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.497774362564087
+O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.4810017347335815
+O=C(Nc1ccc(F)cc1O)C1CCN(c2ccccc2)CC1,-1.0653506517410278
+O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.791395902633667
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.246390700340271
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.092471718788147
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C[C@H]2C)cc1,-1.1065449714660645
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421322345733643
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9441984295845032
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.981300413608551
+Nc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.043270230293274
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9081434607505798
+C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.103299617767334
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495357275009155
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.062964677810669
+Cc1cc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c2ccccc2n1,-0.5847840309143066
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0126354694366455
+OC(COc1ccc(-c2ccc3c(c2)OCO3)cc1)=NC1CCCCC1,-1.1183630228042603
+Cc1ccc(CNC(=O)N2CCOC3(CCCCC3)C2)s1,-1.5145906209945679
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.590193271636963
+C[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCCO2)C1,-1.6460613012313843
+Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9838464856147766
+C[C@@H]1CCN(c2cccc(C(=O)Nc3ccccc3)c2)C1=O,-1.2195069789886475
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.035378336906433
+O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1F,-0.9772781133651733
+CCNc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.262580394744873
+CC[C@@](C)(O)C(=O)N1CCC(OCc2ccccc2)CC1,-1.6294498443603516
+Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.4358938932418823
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.9645929336547852
+C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C1,-1.0965592861175537
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(I)cc2)C1,-1.204358696937561
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.073418140411377
+Cc1ccc(C(C)C2CCCN2Cc2ccc(F)cc2)cc1,-1.1802444458007812
+O=C(c1cc(O)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1528477668762207
+O=C(NCC1CCCCC1)c1ccc(CCCO)cc1,-1.6042561531066895
+C[C@@H]1CN(Cc2ccc(Nc3ccccc3)cc2)CC[NH+]1C,-1.418972373008728
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cn1,-1.2322465181350708
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.30967378616333
+N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1,-0.9581419229507446
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2981845140457153
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.1151931285858154
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1864711046218872
+CN(C)C1CCN(C(=O)NCc2ccccc2)C1,-1.6137393712997437
+COc1ccc([C@H]2COCCN2C(=O)c2ccc(F)cc2)cc1,-1.2918509244918823
+O=C(c1ccc2c(c1)OCO2)N1CCN(c2nc3ccccc3s2)CC1,-0.5758780837059021
+Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)O)CC2)cc1,-1.528301477432251
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984012126922607
+O=C(Cc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2Cl)C1,-1.3164843320846558
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1[O-],-0.9897146224975586
+Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)on2)cc1,-0.8824755549430847
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1,-1.2862491607666016
+Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1Cl,-1.0683786869049072
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1Cl,-0.9377799034118652
+O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-0.9893350005149841
+Cc1nc(C[NH+]2CCN(Cc3ccc(Cl)cc3O)CC2)no1,-0.9402143955230713
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119979858398438
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@@H](C)O1,-1.5042951107025146
+CS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1561517715454102
+C[C@@H](NC(=O)c1cc(Cl)c(O)cc1O)c1ccc(Cl)cc1,-0.8068323135375977
+Cc1cccc([C@H](C)NC(=O)[C@@H](C)c2ccc(Br)cc2)c1,-1.0025705099105835
+Clc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.188326358795166
+Cc1cc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1O,-0.9409584999084473
+CC(=O)N1CCC(NC(=O)c2cccc3ccccc23)CC1,-1.0897161960601807
+CC(C)CCC(=O)NCc1nc(-c2ccc(Br)cc2)no1,-1.080641508102417
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1861637830734253
+Cc1cccc([C@@H]2OCC[C@@H]2NC(=O)c2cc(C)no2)c1,-1.2581584453582764
+O=C(N[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1,-1.0647636651992798
+O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc[nH]1,-1.1468013525009155
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547842025756836
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3235273361206055
+N[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.422609806060791
+C[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)C1,-1.0835500955581665
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.295404076576233
+Fc1ccc(-c2ccc(NCc3ccc(I)cc3)cn2)cc1,-0.9986340403556824
+O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@@H]1C[C@@H]1C1CCOCC1,-1.2816194295883179
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1865592002868652
+Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5266767740249634
+Cc1cc(-c2ccccc2)cc(OC(=O)c2ccccc2)c1C,-1.12776517868042
+O=C(NC1CCCCCC1)N1CCOC[C@@H]1c1ccc(F)cc1,-1.2893431186676025
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1976507902145386
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1,-1.512055516242981
+Clc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.0995148420333862
+O=C(NCCCc1ccc(F)cc1)c1cc(Br)ccc1F,-0.998077929019928
+CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(-c2ccccc2)c1,-1.4867351055145264
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2288926839828491
+O=C(Nc1ccccc1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.9274011254310608
+Cc1nc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cs1,-0.6328184604644775
+c1ccc(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1,-1.0489522218704224
+N[C@@H](CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1,-1.5075373649597168
+O=C(O)CN1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.5487769842147827
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.199947714805603
+O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.8343349695205688
+CC1(C)CC[C@@H](NC(=O)COc2cccc(Br)c2)C1,-1.503674030303955
+O=C(CCC1CCCCC1)Nc1ccc(N2CCCCC2)cc1,-1.4948186874389648
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cn1,-0.9393630623817444
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0324074029922485
+O=C(NCc1ccc(F)cc1)c1ccc2[nH]c(O)nc2c1,-1.0635939836502075
+CC1(C)C[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)CCO1,-1.5444682836532593
+CS(=O)(=O)[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1,-1.1051433086395264
+O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.0834659337997437
+Cc1cc(C)nc(N[C@@H]2CCCC[C@H]2Cc2ccccc2)n1,-1.018072485923767
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.459106206893921
+O=C(Nc1ccccc1Br)C1CCN(c2cccc(F)c2)CC1,-0.8752617835998535
+CC(=O)c1ccccc1CC(=O)Nc1ccc(Cl)nc1,-1.2076537609100342
+CC1CCCCN1C(=O)Nc1ccc(C(C)(C)C)c(Br)c1,-0.805437445640564
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2658390998840332
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1074086427688599
+O=C(NCc1ccc(F)c(Br)c1)[C@@H]1CCC(F)(F)C1,-0.9818719625473022
+C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)CCN1c1ccc(Cl)cc1,-0.5084996223449707
+O=C(NCc1ccc(Cl)c(Cl)c1)N1CCn2ccnc2C1,-0.703555166721344
+Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.167108178138733
+O=C(CCOCc1ccccc1F)Nc1ccccc1,-1.616273045539856
+O=C(N[C@@H]1CCN(C2CCCCC2)C(=O)C1)c1ccccc1,-1.3278156518936157
+C[C@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1,-1.1605490446090698
+CCC1CC[NH+](C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1,-0.9683060646057129
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1,-0.9853830337524414
+O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1ccccc1F,-0.9516680836677551
+C[NH+]1CCC[C@H](CN2CC[NH+](Cc3ccc(Br)cc3)CC2)C1,-1.2352194786071777
+Cc1nc(NCC2CCOCC2)cc(-c2ccc(F)cc2)n1,-0.9549498558044434
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070003628730774
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1,-0.9429405927658081
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(I)c1,-0.9705267548561096
+O=C(CN1CCCC1=O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.3747135400772095
+Cc1[nH+]cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1,-1.0417790412902832
+O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8880468010902405
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1323800086975098
+Fc1ccc(CNCCCOc2ccccc2)cc1,-1.7199218273162842
+O=C(NC1CC(c2ccccc2)C1)c1cc(Cl)ccc1F,-1.0724033117294312
+O=C(NCc1noc(-c2ccccc2)n1)C1CC1,-1.5311038494110107
+Cn1ncc(NC(=O)c2ccco2)c1-c1ccc(Br)cc1,-0.9799462556838989
+O=C(NCc1cc(Br)ccc1F)c1ccc2c(c1)OCO2,-0.9279991388320923
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114567041397095
+O=C(Cc1ccc(Cl)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.600272536277771
+Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.347288966178894
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.8727725148200989
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1102734804153442
+Cc1cccc(-n2ccc(NC(=O)c3cnc(C)s3)n2)c1,-0.952136218547821
+Oc1cccc(CNc2cc(-c3cccc(F)c3)ncn2)c1,-1.2290607690811157
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9873384237289429
+O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7649965286254883
+CCN1CCN(C(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1,-0.9721008539199829
+Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9040713310241699
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.2474746704101562
+COc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc3C2)cc1,-1.1275042295455933
+C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1680867671966553
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.350541591644287
+CCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1,-1.2173155546188354
+C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Br)cc1O,-1.0026607513427734
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.1238577365875244
+O=C(C[NH+]1CC[NH+]2CCC[C@@H]2C1)NCc1ccc(Cl)cc1,-1.2603416442871094
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCCCC2)cc1,-1.07130765914917
+C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8926659822463989
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.533003568649292
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0826539993286133
+COC(=O)[C@H]1CCCCN1C(=O)Nc1ccccc1,-1.5959664583206177
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(Cl)c1,-1.0815014839172363
+Cc1ccc(CNC2CC(=O)N(c3ccccc3)C2)cc1,-1.4658113718032837
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292298793792725
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.7183741331100464
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1175163984298706
+C[C@H]1C[NH+](Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.2818901538848877
+CC1(O)CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1,-1.5259753465652466
+Cc1ccc2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cccc2c1,-0.5676732063293457
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2661845684051514
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.1031064987182617
+Cc1cccnc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.8574038147926331
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898329377174377
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cn1,-1.3244597911834717
+CCN(Cc1ccc(C2CCNCC2)cc1)C1CC1,-1.4824819564819336
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2131166458129883
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2O)cc1,-1.3772634267807007
+Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1,-1.0119969844818115
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1,-1.4088822603225708
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3786360025405884
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0877248048782349
+Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9632973074913025
+Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc2n1,-0.5758576989173889
+O=C(NCc1cccc(Br)c1)N1CCOC2(CCCC2)C1,-1.4725053310394287
+O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.5045005083084106
+O=C(N[C@@H]1CC12CCOCC2)N1CCC(C2CCCCC2)CC1,-1.4656821489334106
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2580636739730835
+Cc1ccccc1C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1,-1.1994799375534058
+CC1(C)CN(C(=O)NC[C@@H](O)c2cccc(Br)c2)CCO1,-1.4334830045700073
+Oc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.3612746000289917
+CCCOc1ccc(C(=O)N2CCOC3(CC[NH2+]CC3)C2)cc1,-1.5169240236282349
+Cc1ccc(F)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.0392132997512817
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0215599536895752
+C[NH+]1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2N)C1,-1.0110538005828857
+O=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.5590198040008545
+O=C(N[C@@H]1CCC[C@@H]1c1ccc2[nH]ncc2c1)c1ccccn1,-1.026993751525879
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5553529858589172
+CCOc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1,-1.5475102663040161
+CC1(C)C[C@@H]([NH2+]C[C@H]2CCO[C@@H](c3ccccc3)C2)CCO1,-1.5570156574249268
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1852614879608154
+O=C(N[C@H]1CCC[NH2+]CC1)C1CCN(c2ccc(F)cc2)CC1,-1.1570549011230469
+CC1(C)CN(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc21,-0.9095452427864075
+Cc1c(O)nc(NC(=O)c2ccccc2)nc1-c1ccccc1,-0.9085526466369629
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.12485933303833
+O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.2701348066329956
+Cc1nc(NC(=O)N2CCCCC2)nc(C2CCCCC2)c1C,-0.6368415355682373
+O=C(NC[C@H]1CCC[NH+](CCCF)C1)c1ccccc1,-1.5876094102859497
+COc1ccccc1CNC(=O)c1ccn(C)n1,-1.6329023838043213
+C[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCCO2)C1,-1.6686131954193115
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)NNc2cccc(F)c2)CC1,-1.0264029502868652
+COc1cccc(CNC(=O)[C@H]2CC[C@H](F)C2)c1,-1.585353136062622
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.141904592514038
+Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1,-1.072906255722046
+C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCCC3)CC2)CC1,-1.2364331483840942
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)o1,-1.2543872594833374
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1833456754684448
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-0.977685809135437
+Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4140056371688843
+Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1,-0.9142361283302307
+Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3595755100250244
+O=C([O-])c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1,-0.9963513016700745
+Cc1ccc2cc(C(=O)NCc3ccc(N)cc3)[nH]c2c1,-1.132634162902832
+C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.639330506324768
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1,-1.1009715795516968
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067130088806152
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-0.991879403591156
+Cc1ccc2cc(C(=O)N3CCC(c4ccc(N)cc4)CC3)ccc2c1,-0.6558592915534973
+O=C(Nc1ccc(F)cc1)c1ccccc1N1CCOC1=O,-1.2089369297027588
+CC1(O)CC(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5934234857559204
+Cc1cccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)c1,-1.5503698587417603
+C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.04343843460083
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7933153510093689
+COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.03097665309906
+O=C(NCC[NH+]1CCc2ccccc2C1)c1ccc(F)cc1F,-0.8799746632575989
+Cc1cccc(NC(=O)N2CCN(c3ccccc3C)CC2)c1,-1.1336469650268555
+Cc1nc(C2CCOCC2)nc(O)c1C(=O)NC1CCCCC1,-0.8215574026107788
+Cc1nc2ccccc2n1-c1ccc(CNC(=O)O)cc1,-1.0926218032836914
+O=C(COc1ccccc1)NCc1ccccc1,-1.7470537424087524
+CC[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2164714336395264
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0561320781707764
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1724650859832764
+C[C@@](O)(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.2680951356887817
+Cc1ccc(NC(=O)N2CCC(CC(C)(C)O)CC2)cn1,-1.42532217502594
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2331883907318115
+O=C(Nc1ccccc1)N1CCN(c2cc(F)ccc2F)CC1,-0.9971933364868164
+Cc1ccc(CNC(=O)Cn2nc3ccccc3n2)cc1,-1.2248018980026245
+C[C@H]1C[C@@H](NC(=O)NCC2CCCCC2)CCO1,-1.6701079607009888
+CN1CC(CC(=O)NC(=O)c2ccccc2)CC1=O,-1.5860074758529663
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1193708181381226
+CCOC(=O)c1cc(C)nn1Cc1ccccc1,-1.5987074375152588
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689096808433533
+O=C(NCc1ccc(Cl)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.7672357559204102
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5013291835784912
+CN1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.380396842956543
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9056209921836853
+Cc1ccc(-c2nc(COc3ccc(Br)cc3C)no2)cc1,-0.9226683378219604
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1cccc(F)c1,-0.970460832118988
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9645524621009827
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.072319507598877
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0494616031646729
+Cc1cc(NCC(=O)Nc2ccc(F)cc2)c(C)cc1Cl,-0.837331235408783
+O=C(NCc1ccc(Cl)cc1)N1CCCC12CCOCC2,-1.4840823411941528
+CCCC(=O)Nc1ccc(-c2noc(-c3ccccc3)n2)cc1,-1.3431745767593384
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.0984373092651367
+Nc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-0.9806034564971924
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1405620574951172
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.737099051475525
+CN(Cc1ccccc1)C(=O)CCOc1ccccc1,-1.6614062786102295
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(C)cc2)C1,-1.3458161354064941
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ncc(Br)cc1F,-0.8363935351371765
+CC[NH+]1CCC[C@H](NC(=O)Nc2nnc(C)s2)C1,-1.2031804323196411
+Cc1cc(C(=O)NCc2nc3ccccc3s2)ccc1F,-0.7928746342658997
+COc1ccc(NC(=O)N2CCN(CCO)CC2)cc1,-1.6239056587219238
+[NH3+][C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0943232774734497
+CC1(C)CCCN(C(=O)NC[C@H](O)Cc2ccccc2)C1,-1.5629533529281616
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1456575393676758
+NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1,-1.3290905952453613
+CC(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.2655867338180542
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0671344995498657
+NC1CCCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,-1.2490938901901245
+O=C(Nc1ccccc1O)N1CCC(c2ccc(F)cc2)CC1,-1.068435788154602
+O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCCC2)CC1,-1.0591866970062256
+CC1(C)CN(C(=O)Nc2ccc(C(=O)F)cc2)CCO1,-1.4810339212417603
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9476135969161987
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1307274103164673
+Cc1ccc(C(=O)NCC(=O)N2CCCC(C)C2)cc1,-1.4105662107467651
+O=C(NCCC[NH+]1CCCCC1)N1CCc2ccc(F)cc2C1,-1.0734072923660278
+O=C(NCc1ccc2ccc(Cl)cc2n1)[C@@H]1CC12CCC2,-0.8706001043319702
+Cc1ccc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)o1,-1.2258073091506958
+CCCN=C(O)Nc1ccc(C(=O)Oc2ccccc2)cc1,-1.5439109802246094
+CCCOc1ccc(CNc2ccc(I)cc2)cc1,-1.5367642641067505
+Cc1ccc(CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1,-0.8214352130889893
+Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2733103036880493
+O=C1Cc2cc(CNC(=O)c3ccccn3)ccc2N1,-1.3164998292922974
+Nc1ccc(-c2ccc(OCc3ccc(Br)cc3)cc2)cc1,-1.19992196559906
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4125080108642578
+Nc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.19076406955719
+O=C(c1ccccc1Cl)N1CCC[C@@H](Oc2ccc(Cl)cc2)C1,-0.9420079588890076
+CC(O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.292888879776001
+Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccn2)CC1,-0.9341497421264648
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382957696914673
+COc1ccc(C2CCN(C(=O)c3ccccc3)CC2C)cc1,-1.1119592189788818
+Clc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0328104496002197
+O=C(CCc1c(F)cc(F)cc1F)NCc1ccccc1,-1.1544420719146729
+Cc1ccc(-c2ccc(Br)cc2OCC2CCCCC2)cc1,-1.254289150238037
+O=C(c1ccc(Br)cc1O)N1CCN(Cc2ccccc2)CC1,-1.0472558736801147
+O=C(N[C@H]1CCCCC1=O)[C@H]1CCCN(c2ccccc2)C1,-1.2780205011367798
+O=C(N[C@@H]1CCC(F)(F)C1)c1cc(-c2ccccc2)on1,-1.369956612586975
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1,-1.1492736339569092
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1767479181289673
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5165066719055176
+CC(C)c1cc(Br)ccc1C(=O)NC1CC[S+]([O-])CC1,-0.8653343915939331
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.1374162435531616
+Cc1ccc(C(=O)NC2CCN(c3nnc(C)s3)CC2)s1,-0.7151014804840088
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1418046951293945
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3905271291732788
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0768086910247803
+O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(Br)cc1,-1.3166990280151367
+c1ccc(COC2C[NH+](Cc3ccccc3)C2)cc1,-1.6993019580841064
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3O)cc2)cc1,-1.191109299659729
+Cc1ccc(C(=O)NC2CCC(c3ccccc3Br)CC2)cc1,-0.9214826822280884
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.2319705486297607
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1,-0.9100198745727539
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.9446552395820618
+O=C(Cc1ccccc1Br)NC1CCN(c2ccccc2)CC1,-1.1667941808700562
+Cc1nc2cc(NC(=O)c3ccn(C(C)C)n3)ccc2o1,-0.9141735434532166
+CN(C)c1ccc(C(=O)NCC2CCCC2)cc1,-1.5922199487686157
+Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0833344459533691
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1396828889846802
+CCCNC(=O)c1ccccc1C[NH+]1CCCCCC1,-1.5916285514831543
+CC(O)=Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-0.8308210968971252
+Cc1ccc(CC(=O)Nc2cccc(C(O)=NC(C)C)c2)cc1,-1.2450884580612183
+Cc1ccc(OC2CCN(C(=O)c3ncccc3F)CC2)cc1,-1.0481139421463013
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6716673374176025
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0706872940063477
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0424537658691406
+O=C(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1,-1.2607396841049194
+Cc1cc(Br)cc(C(=O)Nc2ccc(C(C)C)cc2)c1O,-0.8483444452285767
+C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1Cl,-1.2453259229660034
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2827110290527344
+CC(C)(C)C(=O)Nc1ccc(Oc2ccccc2N)cc1,-1.3504897356033325
+Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-1.1385022401809692
+c1ccc(Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1,-1.2694451808929443
+CCCCc1ccc(NC(=O)N2CCOC3(CCCC3)C2)cc1,-1.528220295906067
+O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9591660499572754
+Nc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.0936267375946045
+CC(=O)CN1CCCC(C(=O)Oc2ccc(C)cc2)C1,-1.5562095642089844
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1,-0.9547479748725891
+O=C(c1ccc2ccc(F)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5898708701133728
+O=C(c1cccc(O)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,-0.8289426565170288
+Cc1ccc(C2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cc1,-1.2217365503311157
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1485161781311035
+CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.1412068605422974
+CC(CCC(=O)N1CCN(c2ccc(Br)cc2)CC1)Cc1ccccc1,-0.9955071210861206
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2154806852340698
+COc1ccc(C(=O)NCc2ccc(Br)cc2)o1,-1.5282378196716309
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9542281627655029
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1703118085861206
+O=C(c1ccc(Cl)cc1F)N1CCN(C[C@H]2CCCCO2)CC1,-0.868808925151825
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2123160362243652
+O=C(COc1ccccc1)N[C@@H]1CCOC12CCCCC2,-1.6346372365951538
+c1ccc(N2CCC(Nc3ccc(-n4cncn4)cc3)CC2)cc1,-1.1901319026947021
+O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(F)cc1,-1.2949893474578857
+C[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9573127031326294
+Cc1ccccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1,-1.2040525674819946
+C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CCN1C,-1.4782613515853882
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,-0.9656264781951904
+Nc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.979233980178833
+OC(COc1ccc(N2CCOCC2)cc1)=NC1CCc2ccccc21,-1.091592788696289
+O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.827140212059021
+C[C@](O)(CNC(=O)c1ccccc1)Cc1ccc(F)cc1,-1.5630029439926147
+Oc1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.511377215385437
+C[NH+]1CCC(C(=O)NC[C@H]2CCOC3(CCCC3)C2)CC1,-1.5481215715408325
+O=C1CN(C(=O)Nc2ccccc2-c2ccccc2)CCN1,-1.347956895828247
+c1ccc(C[NH+]2CC([NH2+][C@H]3CCC4(CCOCC4)C3)C2)cc1,-1.5773844718933105
+O=C(c1ccc2c(c1)CCCCC2)N1CCN(c2ccc(F)cc2)CC1,-0.7840059995651245
+O=C(Cc1ccccc1)NCc1ccc2c(c1)OCCO2,-1.5504226684570312
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0926276445388794
+C[C@H]1CC[C@H](CNC(=O)N2CCC(CO)CC2)C1,-1.5968025922775269
+C[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1,-1.3889355659484863
+Cc1ccc(C(=O)Nc2ccc(Cl)cc2)s1,-1.4506207704544067
+Cc1nc2cc(CNC(=O)C[NH+]3CCOCC3)ccc2o1,-1.4441184997558594
+Oc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Br,-1.4084575176239014
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.2977182865142822
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1491702795028687
+O=C(Nc1cccc(Br)c1)N1CCN(c2ccccc2F)CC1,-0.8919864892959595
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3434414863586426
+Cc1cc(C(=O)Nc2ccc(CC(C)C)cc2)ccc1F,-1.1983716487884521
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.8280077576637268
+CC(C)(C)C(=O)N1CCC(NC(=O)c2cccnc2Cl)CC1,-0.7983611226081848
+O=C(NCc1ccc(F)nc1)NC1CCCCC1,-1.6305185556411743
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101741075515747
+CC(C)c1nc(CN2CCC(c3ccc(Cl)cc3)CC2)no1,-0.9337976574897766
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1483145952224731
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5281403064727783
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.9383582472801208
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0652762651443481
+O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.7991398572921753
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.153554081916809
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060231924057007
+C[C@H]1CN(c2ccc(COc3ccccc3)cc2)C[C@H](C)O1,-1.5130797624588013
+Cc1noc(-c2cccc(Br)c2)n1,-1.5851545333862305
+CC1(C)CCCN(C(=O)Nc2nnc(C3CCCC3)s2)C1,-0.9385842680931091
+O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.051566481590271
+C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0684305429458618
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9836011528968811
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852459907531738
+CC(=O)NCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1,-1.6448112726211548
+Cc1ccc2cc(C(=O)NCC3(C)CCOCC3)oc2c1,-1.476543664932251
+O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.9166322946548462
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0561317205429077
+O=C(NC1CCN(c2cc(Cl)ccc2O)CC1)c1ccccc1,-1.0177050828933716
+CC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.6780009269714355
+CCN1CCc2cc(F)ccc2C1,-1.721138596534729
+O=C(Cn1cccn1)Nc1ccc(N2CC[C@@H](F)C2)cc1,-1.3486199378967285
+Cc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)cc1N,-1.0940574407577515
+C[C@@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3150856494903564
+Nc1cc(Cl)ccc1C(=O)NCc1ccc2c(c1)CCC2,-0.8721096515655518
+C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2cccc(Br)c2)C1,-1.30379056930542
+O=CN1CCN(c2ccc(F)cc2)CC1,-1.692236304283142
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846126437187195
+Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0358794927597046
+Nc1ccc(CNC(=O)c2cc3cc(F)ccc3o2)cc1,-1.1292564868927002
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Br)c2)cn1,-0.9348873496055603
+O=C([O-])CCCC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5807541608810425
+Cc1nc2cc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)ccc2o1,-0.3591882586479187
+Cc1ccc(OCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.414361834526062
+O=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1c1ccccc1,-0.8167127370834351
+O=C(CSCc1ccccc1)N1CCC2(CCCCC2)C1,-1.5633583068847656
+Cc1nc(-c2ccc(NC(=O)C[C@H]3CCCO3)cc2)no1,-1.3893460035324097
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.019400715827942
+Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.1533398628234863
+Nc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.1827038526535034
+O=C(c1ccccc1Cl)N1CCCC[C@@H]1Cc1ccc(F)cc1,-1.0052950382232666
+O=C(NC1CCCC1)[C@H]1CCCN(c2nnc3ccccn23)C1,-0.8834356665611267
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210208654403687
+O=C(NCc1cccc(O)c1)c1cc2ccc(Cl)cc2[nH]1,-1.0861645936965942
+Cc1ccc(CNc2ccc(N)cc2-c2ccccc2)cc1,-1.256456732749939
+Cc1cc(C(=O)Nc2cccc(-c3ccccc3)c2)c(Br)cn1,-0.9125526547431946
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccncc2O)CC1,-1.3881101608276367
+CC(C)C(=O)N1CC[C@H](NC(=O)Cc2ccccc2)C1,-1.5384074449539185
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1921676397323608
+CC(C)(CCNC(=O)COc1ccc(Br)cc1)C(=O)[O-],-1.4789597988128662
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(O)cc3)C2)s1,-1.174999475479126
+O=C(c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1,-1.079837679862976
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2143592834472656
+Cc1cccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1,-1.4821847677230835
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4728062152862549
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2207883596420288
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(F)n1,-0.911736249923706
+COc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1,-1.1260651350021362
+O=C(Nc1cccc(C2CCOCC2)c1)c1cc(Cl)ccc1F,-0.9657074809074402
+Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1C,-0.8336182832717896
+Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2s1,-0.9324101209640503
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(I)c1,-1.3112891912460327
+CCN1CC[NH+](CC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.3588019609451294
+CCOc1ccc(C(=O)Nc2ncc(C)s2)cc1,-1.5943176746368408
+Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.1628228425979614
+O=C(NC[C@@H]1CC1C1CCCCC1)c1ccc(F)c(F)c1,-0.8787662982940674
+Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1,-1.117774248123169
+Cc1cc(CNC(=O)N2CCc3[nH]cnc3C2)ccc1Cl,-0.7434724569320679
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1892318725585938
+C[NH+]1CCCC[C@@H]1C(=O)NC1(C)CC[NH+](C2CCCCC2)CC1,-1.1928606033325195
+Cc1ccc(C[NH+]2CCC(Nc3cc(C)nn3C)CC2)cc1,-1.0546627044677734
+O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7672455906867981
+COc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.220535397529602
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4849522113800049
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.084911584854126
+Cc1cc(NCc2ccc(Br)cc2)ccc1-c1ccccc1,-1.1628124713897705
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.127058744430542
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1[O-],-1.2243525981903076
+CCN1CC[NH+](C2CCN(C(=O)c3cccc(C)c3)CC2)CC1,-1.1708214282989502
+CC1CN(Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4849790334701538
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1,-1.2804145812988281
+O=C(C1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCCCC2)C1,-0.9142493605613708
+Nc1ccccc1N1CCN(C(=O)COc2ccccc2)CC1,-1.3394315242767334
+Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.211326241493225
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0345399379730225
+C[C@@H]1CN(C(=O)NC2CC(c3ccccc3)C2)C[C@@H](C)O1,-1.3668617010116577
+Cc1cc(CNC(=O)c2ccc3n[nH]nc3c2)ccc1Br,-0.6973649859428406
+Cc1cccc(OCCc2noc(-c3ccc(Cl)cc3)n2)c1,-1.1853617429733276
+O=C(Nc1ccc(Cl)cc1F)C1CC[NH+](C2CCOCC2)CC1,-0.861640453338623
+Cc1cc(CNC(=O)c2ccc3cc[nH]c3c2)ccc1F,-1.0024367570877075
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2184507846832275
+N#C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1,-0.5574482679367065
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2o1,-0.9748089909553528
+CC(C)(C(=O)NCC1CCC(=O)CC1)C1CCCCC1,-1.4495881795883179
+CC(C)(CO)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5539429187774658
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0296356678009033
+CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1779638528823853
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.9775938987731934
+CC(C)c1ccccc1N1CCN(C(=O)c2ccccc2)CC1,-1.0773042440414429
+Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1255799531936646
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.055306077003479
+CCc1ccccc1C(=O)N[C@@H]1CC[NH+](C)C2(CCC2)C1,-1.2696750164031982
+O=C(COc1ccc(F)cc1)Nc1ccc2[nH]ncc2c1,-1.3304383754730225
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2s1,-0.8330613374710083
+C[NH+]1CCN(c2ccc(NCc3cccc(Cl)c3)cc2)CC1,-1.2125033140182495
+CN(C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1,-1.2430919408798218
+CC(C)COc1ccc(NC(=O)CS(C)(=O)=O)cc1,-1.6352094411849976
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730136394500732
+Cc1ccc(O)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-1.142959475517273
+Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-0.959674060344696
+Nc1ccc(C(=O)NC2CCCN(CC(=O)O)C2)cc1,-1.574784278869629
+COc1ccc(C(=O)NCc2cc(C)no2)cc1,-1.6187444925308228
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4663362503051758
+O=C(CC1CCCCC1)N1CCNCC1,-1.7454065084457397
+O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(Br)cc12,-0.8138918876647949
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851065039634705
+Cc1nn(C2CCCCC2)cc1C(=O)Nc1ccc(F)cc1F,-0.5173695683479309
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480425357818604
+CN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)c(F)c1,-0.7677729725837708
+Cc1nc(Cl)cc(-c2ccc(OCc3ccccc3)cc2)n1,-0.9614080190658569
+O=C(Cc1ccc[nH]1)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1,-1.2461662292480469
+CC(=O)N1CCCC(C)(O)C1,-1.9028599262237549
+Fc1ccc(-c2ccc(NCc3cccc(F)c3)cc2)cc1,-1.2322331666946411
+O=C(NCc1nc2ccc(Cl)cc2o1)c1ccc(O)cc1,-1.0552319288253784
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0928008556365967
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0751690864562988
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0653703212738037
+O=C(NC1CCCCCC1)N1CCN(c2cccc(F)c2)CC1,-1.2711726427078247
+Cc1nc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)c[nH]1,-1.3272844552993774
+CN(Cc1ccccc1)C(=O)CCOc1ccccc1,-1.7076445817947388
+Cc1ccc(CCN=C(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9669095873832703
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1763832569122314
+Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3ccccc3C2)cc1,-1.1182056665420532
+COc1ccc(N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1,-1.2248644828796387
+O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(O)c1,-1.219907283782959
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3570761680603027
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.9657130837440491
+CC1(C)CCC(CNC(=O)c2cccc3c2OCO3)CC1,-1.2155566215515137
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5242421627044678
+Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCCC[C@H]2O)cc1,-1.1060981750488281
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-1.0313917398452759
+COc1ccc(CC(=O)Nc2ccc3c(c2)OCCCO3)cc1,-1.4092520475387573
+O=C1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)N1,-1.4176197052001953
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)nc1,-1.2133796215057373
+CCOc1ccccc1NC(=O)c1cc(Br)no1,-1.4771294593811035
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0269246101379395
+COc1ccc(CNC(=O)c2csc(C)c2)cc1,-1.6336580514907837
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc(F)c1Cl,-0.8724250793457031
+CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H](F)C2)cc1,-1.2881498336791992
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9435808658599854
+Clc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-0.9226762652397156
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.2602686882019043
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.3728106021881104
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Br)cc1)C2,-0.631310760974884
+O=CNC[C@H](O)Cc1ccc(Br)cc1,-1.7021586894989014
+c1ccc(CNC2CC(Cc3ccccc3)C2)cc1,-1.6692382097244263
+Cc1cc(I)ccc1C(=O)N1CCC(Nc2ccccc2)CC1,-0.9225140810012817
+Nc1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1,-1.3705848455429077
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2887128591537476
+Cc1ccc(CN=C(O)C(C)C(=O)Nc2ccc(F)cc2)cc1,-1.1788065433502197
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1,-0.787014901638031
+CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1,-1.0181626081466675
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0625704526901245
+Nc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.3132054805755615
+Fc1ccc(Oc2ccc(CN3CCCCC3)cc2Cl)cc1,-1.2530384063720703
+CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.4781407117843628
+Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1,-1.0322192907333374
+O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)C1CCOCC1,-0.818096399307251
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3954318761825562
+O=C(NCc1ccc(Cl)cc1)N1CC[C@]2(O)CCCC[C@@H]12,-1.2087912559509277
+COc1ccc(CNC(=O)[C@@H]2CCCCC2=O)cc1,-1.5775387287139893
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CCCC[C@H]1O,-1.1113470792770386
+CC(C)C[NH+]1C[C@H](C)O[C@@H](C)C1,-1.8351315259933472
+CC(C)(O)CNC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.318246603012085
+C[C@@H]1CCCN(C(=O)CNC(=O)CC2CCCCC2)C1,-1.5498815774917603
+C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1c1ccc(F)c(F)c1,-0.5084296464920044
+C[C@@H]1C[NH+](C2CCCCC2)CCN1C(=O)Nc1ccc(Cl)cc1,-0.9389253854751587
+O=C(COCCc1ccccc1)Nc1ccccc1Br,-1.5346406698226929
+CC1(Nc2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1,-1.4775255918502808
+Cc1cocc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.073620319366455
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1,-1.0544899702072144
+CC(C)c1nc(CN2CCN(c3ccc(F)cc3)CC2)no1,-1.0356507301330566
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6465736627578735
+O=C(Cc1ccccc1)Nc1cc(F)ccc1C(F)(F)F,-1.104556918144226
+CC(C)(C)N1CC[C@H](NC(=O)c2cc3ccccc3s2)C1,-0.991438627243042
+O=C(Cc1ccc(Cl)cc1)NCc1cn2ccccc2n1,-1.1823312044143677
+Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2o1,-1.100821852684021
+O=C(Cc1ccc(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.6657673120498657
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0314364433288574
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.417116641998291
+Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1,-1.1954312324523926
+c1ccc(C[NH+]2CC3(CC[NH+](CC4CCCCC4)C3)C2)cc1,-1.5672554969787598
+Nc1ccc(CC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1,-0.6874678730964661
+C[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.5135501623153687
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-0.9422821998596191
+Cc1csc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)n1,-1.436768651008606
+O=C(Nc1ccccc1-c1nn[nH]n1)N1CC2CCCCC2C1,-0.7580962181091309
+Cc1cccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)c1,-1.464945912361145
+O=C(Nc1cc(Br)ccc1F)c1ccc(-c2ccccc2)cc1,-0.9383540749549866
+Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1684995889663696
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1808927059173584
+Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)o1,-1.5849751234054565
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.888910174369812
+O=C(N[C@@H]1CCC(=O)N1c1ccccc1)c1ccccc1F,-1.1017894744873047
+Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)s1,-1.0891687870025635
+CC(C)N=C(O)COc1ccc(NC(=O)C(C)C)cc1,-1.5248030424118042
+COc1ccc(C(=O)NCc2ncc(Br)s2)cc1,-1.2199372053146362
+Cc1cc(Cc2ccc(Br)cc2)nn1Cc1ccc(F)cc1,-0.8964707851409912
+Cc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1,-1.1079550981521606
+O=C(CNC(=O)c1ccc2[nH]ccc2c1)c1cccc(F)c1,-1.1099625825881958
+O=C(COC(=O)c1ccccc1)c1ccc(O)c(O)c1,-1.5504577159881592
+NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1,-1.0993551015853882
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6179119348526
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8777234554290771
+CC(N=C(O)CNC(=O)c1cccc(Br)c1)c1ccccc1,-1.2448813915252686
+C[NH+]1CCC(C(=O)NC2CCN(c3ccccc3F)CC2)CC1,-1.0723108053207397
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1014012098312378
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5661892890930176
+O=C(N[C@H]1CC[NH+](C2CCOCC2)C1)N1CCC2(CC2)C1,-1.5152682065963745
+Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2045875787734985
+CN1CC[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1=O,-1.1276711225509644
+Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)n[nH]1,-0.5724060535430908
+CCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)cc1,-1.574987530708313
+Cc1ccc(-c2nnc(NC(=O)c3cc(Br)cs3)s2)cc1,-0.7493006587028503
+O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.4961622953414917
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1,-1.0818678140640259
+CC(C)(C)CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1,-1.2099525928497314
+CCOc1cccc(NC(=O)C[C@H]2CCCc3ccccc32)c1,-1.3930414915084839
+Fc1cc(OCc2ccccc2)cc(F)c1-c1ccccc1,-1.1999257802963257
+[NH3+]CC1CCN(C(=O)[C@@H]2CCCN(c3ccc(F)cc3)C2)CC1,-1.0094149112701416
+O=C(Nc1ccccc1)C(=O)Nc1ccc(Br)c(F)c1,-1.2621726989746094
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1290243864059448
+CCOC(=O)c1ccc(OC(=O)C(C)N)cc1,-1.6555935144424438
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1781100034713745
+O=C1NC[C@@H](C(=O)N2CC[C@H](Cc3ccccc3)C2)c2ccccc21,-0.9698318243026733
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9856159687042236
+O=C(Nc1nc2ccccc2s1)N1CCC([NH+]2CCCC2)CC1,-0.938152015209198
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4891246557235718
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.8967549204826355
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2108865976333618
+O=C(c1cccnc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9309186935424805
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.229533076286316
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cccnc1,-1.0588864088058472
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.045640230178833
+Cc1cc(NC(=O)c2cn(C)nc2-c2ccccc2)no1,-1.144836187362671
+O=C(Cc1ccc(O)cc1)Nc1ccc(N2CCCCC2)nc1,-1.3207981586456299
+CC(=O)N1CCC[C@@H](NC(=O)Cc2cccc(I)c2)C1,-1.2468390464782715
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3N)cc2)C1,-1.0834542512893677
+O=C(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCCC1,-1.4941582679748535
+Cc1ccc(NC(=O)C(C(=O)c2ccccc2)C(F)(F)F)cc1,-1.065598487854004
+O=C(c1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCC3(CCOCC3)CC2)C1,-1.1277672052383423
+C[C@@H]1Cc2cc(C(=O)NCc3ccccc3Cl)ccc2O1,-1.0613219738006592
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4031195640563965
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(CO)CC1,-1.0792977809906006
+O=C(Nc1ccc(O)cc1F)N1CC[NH+](C2CCCCC2)CC1,-1.0326725244522095
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.2013157606124878
+Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.1885030269622803
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1394729614257812
+CCOc1ccc(C(=O)OCCC(F)(F)F)cc1,-1.6501833200454712
+O=C(Nc1ccc(N2CCCCC2=O)cc1)C1CCCCC1,-1.4566094875335693
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.198348045349121
+COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(C)nc1C,-0.4407137632369995
+O=C(N[C@@H]1CCCO[C@H]1C1CCCCC1)c1ccc(F)cc1O,-1.068514347076416
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.344101071357727
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)on1,-1.111835241317749
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0156216621398926
+CC(C)(N)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.565462350845337
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846712589263916
+Nc1cccnc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8063108325004578
+O=C(Nc1ccccc1-c1ncon1)c1ccc2ccsc2c1,-0.9595378637313843
+CN1CCOc2ccc(C(=O)NCc3ccccc3)cc21,-1.3461723327636719
+O=C(Cc1cccc(Br)c1)NCc1ccc2nn[nH]c2c1,-0.9981310367584229
+O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1)[C@@H]1CCCCO1,-0.9560539722442627
+O=C(N[C@@H]1CC12CCCC2)N1CC[C@H](c2ccccc2)C1,-1.4472758769989014
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092617392539978
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741647481918335
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.882124662399292
+C[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCCO2)C1,-1.6595836877822876
+CC1CCN(Cc2noc(Cc3ccc(Cl)cc3Cl)n2)CC1,-0.7607293725013733
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.2189463376998901
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4082720279693604
+Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)ccc1Cl,-0.559799075126648
+O=C(NCc1cccc(Br)c1)c1cc2ccc(Cl)cc2[nH]1,-0.8736703991889954
+C[C@@H]1CC(NC(=O)C(=O)Nc2ccccc2)C[C@@H](C)O1,-1.5718743801116943
+Fc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1,-1.1822983026504517
+O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccncc1Cl,-0.9474706649780273
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9233363270759583
+COc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.1252269744873047
+Nc1cc(Cl)ccc1NC(=O)[C@H]1CCCC[C@@H]1c1ccccc1,-0.891790509223938
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9890037775039673
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3601325750350952
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2683385610580444
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3940194845199585
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.690820336341858
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0859795808792114
+O=C(c1ccc(F)cc1)N1CC(Nc2ccc(F)cc2)C1,-1.1518256664276123
+O=C(Nc1ccccc1F)N1CCC(c2ccc(Br)cc2)CC1,-0.9725490808486938
+CC(C)COc1ccc(C[NH+]2CCC3(CCOCC3)C2)cc1,-1.572004795074463
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.2576415538787842
+[NH3+][C@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9465048909187317
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1208784580230713
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.6245532035827637
+C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.325850486755371
+O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1,-0.9948118329048157
+Fc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.2353761196136475
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1761654615402222
+O=C(N[C@@H]1CCC[C@H](F)C1)N1CCC(c2ccc(F)cc2)CC1,-0.9031636714935303
+C[C@@H]1CN(C(=O)NC[C@@H](C)O)CC[C@@H]1c1ccc(Cl)cc1,-1.031774878501892
+Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3280054330825806
+Cc1ccc(-c2n[nH]c(C)n2)cc1,-1.5871319770812988
+C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1c1ccccc1,-1.0975520610809326
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0286506414413452
+O=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)cc1,-1.218811273574829
+O=C(Nc1ccc(F)cc1F)N1CCOC[C@H]1c1ccccc1,-1.0732601881027222
+C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)CC1,-1.4410208463668823
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9643087387084961
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0329973697662354
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1520658731460571
+Cc1ccccc1NC(=O)N1CCN(c2cccc(N)c2)CC1,-1.0693910121917725
+Cc1ccc(F)c(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)c1,-0.9896813631057739
+Nc1ccc(C(=O)NCc2ccncc2)cc1,-1.7038275003433228
+CC(C)(CO)Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1,-1.1910728216171265
+C[NH+](C)CCCNC(=O)Nc1ccc(F)cc1F,-1.4138808250427246
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.0077052116394043
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0586166381835938
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2[nH]1,-1.174177646636963
+CC(C)C(C)(O)CNC(=O)N1CC[C@@H](c2ccccc2)C1,-1.4792577028274536
+Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-1.0278011560440063
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.519165277481079
+O=C(Nc1ccc(Cl)cn1)c1cccc(N2CCCC2=O)c1,-1.0660998821258545
+CCC(C)C(=O)Nc1ccc(Oc2ccc(N)cn2)cc1,-1.3201572895050049
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.9769496321678162
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3745930194854736
+Cc1cc(C(=O)NC2CC([C@H]3CCCCO3)C2)ccc1F,-1.120975136756897
+Oc1cc(NCc2ccc(-c3ccccc3)nc2)ccc1Cl,-1.1215369701385498
+NCC(C(=O)NC1CCOC1c1ccc(F)cc1)C1CC1,-1.0622940063476562
+Cc1ccccc1-c1ccc(NC(=O)c2ccc(O)cc2)cc1,-1.185933232307434
+COS(=O)(=O)c1cccc(NCc2ccc(O)cc2)c1,-1.5723423957824707
+C[C@@H]1C[C@H](NC(=O)NCC2CCCCC2)CCO1,-1.6676303148269653
+COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,-1.1329922676086426
+O=C(Nc1cccc(Br)c1)[C@@H]1CCN(c2ccccc2)C1=O,-1.0616891384124756
+O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[NH+]1CCCCC1,-0.7835009694099426
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0005637407302856
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2781139612197876
+CC(C)(O)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.6407402753829956
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.131952166557312
+Cc1ccc(C2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-1.0951592922210693
+CC1(C)CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1,-1.4327377080917358
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0825023651123047
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114742279052734
+Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5006128549575806
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1,-0.9736215472221375
+Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.1894371509552002
+COc1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1,-1.2469549179077148
+O=C1CCC[C@H]([NH+]2CCC[C@@H](NC(=O)c3ccccc3)C2)C1,-1.3556116819381714
+COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N3)cc1,-1.2973381280899048
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.4738963842391968
+O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-0.9821169376373291
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.345861554145813
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(N)c1,-1.1640361547470093
+C[NH+]1CC[C@H](CNC(=O)N2CCc3ccc(Br)cc3C2)C1,-0.9173868894577026
+CN(Cc1noc(-c2ccc(F)cc2)n1)c1ccc(F)cc1,-0.9988836050033569
+Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCCC2,-0.726751446723938
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3690696954727173
+[NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8801223039627075
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2193412780761719
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.081346035003662
+CC(C)(O)C1CCN(C(=O)N[C@@H]2CC23CCC3)CC1,-1.4795069694519043
+CC(C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5215859413146973
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.258713722229004
+O=C(Nc1nc2ccccc2s1)C(=O)Nc1ccccc1Br,-0.8268572092056274
+Cc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c(F)c1,-1.1911484003067017
+[NH3+]c1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.5911473035812378
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0468788146972656
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565158128738403
+Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4523378610610962
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCCC3)CC2)cn1,-1.146249532699585
+CC1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1,-1.0053268671035767
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9515401721000671
+Clc1ccc(CNC2CCN(c3cccc(Cl)c3)CC2)cc1,-1.0011396408081055
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.066235899925232
+CCOc1ccc(C(=O)C(C)Cc2ccc(C)cc2)cc1,-1.5556777715682983
+Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0359426736831665
+C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4108388423919678
+c1ccc(COc2ccccc2)cc1,-1.8751243352890015
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-0.914104700088501
+O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccccc1O,-0.968894362449646
+C[C@@H]1CN(CC(F)(F)F)CC[NH2+]1,-1.7208633422851562
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-0.8950212001800537
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9738907814025879
+O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1ccc(O)cc1,-1.5150798559188843
+Nc1ccc(-c2ccc(CNc3ccc(Cl)cc3)nn2)cc1,-0.9473183751106262
+COc1ccc(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9676561951637268
+C[C@@H]1CCCCN(C(=O)Nc2ncccc2-c2ccccc2)C1,-1.170591115951538
+Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9836424589157104
+CC1CN(c2ccc(C[NH+]3CCOC4(CCCC4)C3)cc2)CC(C)O1,-1.3714089393615723
+COc1ccc(C2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1698682308197021
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.21882164478302
+O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.136542797088623
+Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)s1,-0.9487387537956238
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.5043911933898926
+Nc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9414510726928711
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc([O-])cc2)CC1,-1.21746027469635
+Cc1nc(CCC(=O)Nc2ccc(N3CCOCC3)cc2)no1,-1.3343037366867065
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140271425247192
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9007371068000793
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1840152740478516
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0135866403579712
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.679832935333252
+Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1,-1.05045485496521
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9925829172134399
+Clc1ccc(-c2cc(OCc3ccccc3)ccc2Br)cc1,-1.2038320302963257
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0385479927062988
+Cc1ccc(NC(=O)c2scnc2-c2cccc(F)c2)s1,-0.8547142744064331
+Cc1csc(N2CC[C@H](NC(=O)c3cccc(Br)c3)C2)n1,-0.8252652883529663
+O=C(NCC(O)=NCCc1ccccc1)c1ccc(O)cc1,-1.5364733934402466
+CC(=O)NC1CCOCC1,-1.9747867584228516
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4460339546203613
+COc1ccc(CN2CCN(c3nc(C)c(C)s3)CC2)cc1,-0.9764395356178284
+Cn1cc(C(=O)Nc2scnc2-c2ccc(Cl)cc2)cn1,-0.8309818506240845
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1,-1.3108322620391846
+O=C(NCc1cc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1,-0.982363224029541
+c1ccc(-c2nc(COc3ccc4c(c3)OCO4)no2)cc1,-1.3248486518859863
+Oc1cc(Cl)ccc1CNC1CCC(O)(c2ccccc2)C1,-1.2941688299179077
+Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1311838626861572
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2992653846740723
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0765337944030762
+C[C@H]1C[NH+](CCCC(=O)NCc2ccc(F)cc2)CCO1,-1.5568547248840332
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.053917407989502
+Cc1ncccc1C(=O)N1CCC(Oc2ccc(N)cc2)CC1,-1.0328927040100098
+Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0567551851272583
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961334824562073
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.2261745929718018
+COCc1ccc(C(=O)N[C@@H]2CC[C@@H](O)C2)cc1,-1.6333801746368408
+O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0922034978866577
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3725084066390991
+O=C(N[C@@H]1CCCO[C@H]1C1CCOCC1)c1ccc(F)cc1F,-1.009907603263855
+Cc1cc(O)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.3106509447097778
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.1210302114486694
+Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.3814090490341187
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172434210777283
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.082646131515503
+CC(C)c1ccc(C(C)NCc2ccccc2)cc1,-1.5515414476394653
+CC(C)(C)C(NC(=O)c1ccc(N)cc1)c1ccccc1,-1.2933471202850342
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9816424250602722
+Cc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1,-1.1831251382827759
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.33893620967865
+CCCCC(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1,-1.4386532306671143
+Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1,-1.0398064851760864
+Cc1ccccc1NC(=O)c1cccc(-c2ccc(F)cc2)c1,-1.1959598064422607
+O=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@H]1C1CCCCC1,-0.7170910239219666
+CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1,-1.158232569694519
+C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1,-1.5273404121398926
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9766884446144104
+O=C(c1ccc(F)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5045859217643738
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.043531060218811
+Cc1[nH+]c(C(=O)N2CCCN(c3ccc(F)cc3)CC2)n2ccccc12,-0.6188890337944031
+O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1,-1.644447684288025
+CC(C)(C)CC(=O)Nc1ccc(Cc2ccccc2)cc1,-1.5668034553527832
+CC(C)(O)CC(=O)NC[C@@H]1CCCN(c2ccccc2)C1,-1.5688588619232178
+O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9633123278617859
+Cc1ccc(CN2CCC(Nc3ccc(C)cc3)CC2)cc1,-1.417241096496582
+O=C(CN1CCCCC1=O)N[C@H]1CCC[C@H]1c1ccccc1,-1.3709150552749634
+Nc1ccccc1C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1,-0.9972183108329773
+O=C(N[C@H]1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1O,-1.1667675971984863
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)nc1,-1.118476390838623
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.6303539276123047
+Cc1nc2cc(N)ccc2cc1C(=O)NCCc1ccccc1,-0.8604062795639038
+COc1ccccc1C1CCN(C(=O)c2ccc(C)cn2)CC1,-0.9972620606422424
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1,-1.0578029155731201
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.541401743888855
+O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1,-1.4734209775924683
+CCc1ccccc1C(=O)NC[C@H]1CCCc2cc(O)ccc21,-0.9387782216072083
+O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6777474880218506
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.189792513847351
+C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.22511887550354
+O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.0720398426055908
+Cc1ccc(C2CCN(C(=O)N[C@@H]3CCOC[C@H]3[NH3+])CC2)cc1,-1.1416223049163818
+CC1CCN(c2ccccc2)C1=O,-1.7701199054718018
+COc1cccc(CNC(=O)c2ccc(N)s2)c1,-1.5608885288238525
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.040468692779541
+COc1ccc(C(=O)NCc2ccc(N)cc2)s1,-1.5674872398376465
+Nc1ccc(NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1Br,-0.880870521068573
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.301061987876892
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.213625192642212
+Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1[NH+]1CCOCC1,-1.0668569803237915
+Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0616016387939453
+CC(=O)NC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1,-1.4350390434265137
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858158111572266
+O=C(NC[C@@H](O)Cc1cccc(O)c1)c1ccc(Br)cc1,-1.4031457901000977
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.19045889377594
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0438169240951538
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.213815450668335
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0921317338943481
+C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.4356698989868164
+C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O,-1.0891791582107544
+Cc1cc(F)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.2026742696762085
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0520586967468262
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431885957717896
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8360809087753296
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0306205749511719
+O=C(NCCCN1CCOCC1)c1ccc2cc(Cl)ccc2n1,-1.017992615699768
+O=C(NC1CCCCC1)N1CC[NH+]2CCC[C@@H]2C1,-1.525465965270996
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1,-1.121275544166565
+C[NH+]1CCN(CC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1,-1.4890953302383423
+O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccc(F)cc2O1,-1.1189579963684082
+CC(=O)C(=O)N[C@H]1CCCC[C@H]1Nc1cccc(C)c1,-1.5557453632354736
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1,-0.754866361618042
+C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1,-1.1350843906402588
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2910943031311035
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1734079122543335
+Fc1ccc(CNc2ccc(N3CCOCC3)nc2)cc1Br,-0.9914672374725342
+O=C(CC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1,-1.3126362562179565
+O=C(Cc1ccccc1O)NC1CCN(c2ccccc2)CC1,-1.393921971321106
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636282205581665
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0799874067306519
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3902846574783325
+CN(Cc1cn(C)nc1-c1ccccc1)c1ccc(Cl)cc1,-0.9541088342666626
+Cc1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1,-1.1906139850616455
+Nc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3837933540344238
+O=C(O)CN1CCN(CC2CCCCN2c2ccccc2)CC1,-1.4424057006835938
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.148276925086975
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9752943515777588
+Fc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)cc1F,-0.9148561358451843
+Nc1cccc(Cl)c1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9559823870658875
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0254075527191162
+Cc1ccc(C(=O)NC2CCN(c3nnc(C)s3)CC2)s1,-0.7203534841537476
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0735957622528076
+O=C(Nc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1,-1.3306244611740112
+Cc1ccccc1C(=O)NC1CCN(c2cccc(N)c2)CC1,-1.0556416511535645
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3909019231796265
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.886600136756897
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)c[nH]2)CC1,-1.0641916990280151
+O=C(Cc1ccccc1)N1CCN(c2ccc3cc(F)ccc3c2)CC1,-0.8565005660057068
+C[C@H]1C[C@H](Nc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3231347799301147
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.294128179550171
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2837550640106201
+O=C(c1cc(Cl)c2ccccc2n1)N1CCN(c2cccc(F)c2)CC1,-0.2861986756324768
+Nc1cc(Br)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0020643472671509
+Cn1cc(CC(=O)N[C@@H]2CC[C@H](c3ccccc3)C2)cn1,-1.4508122205734253
+O=C(C[NH+]1CCCCC2(CCCC2)C1)NCC1CCCCCC1,-1.5459654331207275
+O=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)cc1,-1.1503468751907349
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.973015546798706
+Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1Cl,-0.6409511566162109
+O=C(c1ccccc1Cl)N1CCCC[C@H]1Cc1ccc(F)cc1,-1.0008515119552612
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1F,-0.5763996243476868
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.094008445739746
+Cc1nc(C)c(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)s1,-0.6334570646286011
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.215122103691101
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0839132070541382
+C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2)C1,-1.035233736038208
+Cc1cnc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2n1,-0.4165458381175995
+Cc1ccc(-c2ccc(Cl)cc2)c(NCC2CCCCC2)c1,-1.075265884399414
+Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCC[NH+](C)C2)CC1,-1.0549949407577515
+C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N(C)C)c1,-1.4915539026260376
+Cc1ccc(NC(=O)C[NH+]2CCCC[C@H]2C(=O)[O-])cc1,-1.5119093656539917
+O=C1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1556507349014282
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2648557424545288
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1146891117095947
+Nc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.1985750198364258
+Nc1ccc(CNC2CC(=O)N(c3ccccc3)C2)cc1,-1.5352574586868286
+C=C(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,-1.4218144416809082
+CN1CC[NH+](Cc2ccc(NC(=O)CCCCCF)cc2)CC1,-1.5491887331008911
+Cc1ccccc1N1CCN(C(=O)Nc2cccc(I)c2)CC1,-0.9276410341262817
+CCOc1ccc(CN2CCN(C3CC3)CC2)cc1,-1.633416771888733
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-1.0610227584838867
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5764825344085693
+O=C(CCCNC(=O)c1ccc(Br)cc1Cl)c1ccccc1,-1.0593825578689575
+CN1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2)CC1,-1.5762914419174194
+CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCc2ccccc2C1,-1.1033021211624146
+CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.015561580657959
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0314468145370483
+O=C(Nc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCCCC2)C1,-1.140750765800476
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.3658264875411987
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.8967849016189575
+C[C@H]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8454586267471313
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6174925565719604
+O=C(NC1CC[NH+](CC(F)(F)F)CC1)N1CCC(O)CC1,-1.2674764394760132
+O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419100761413574
+O=C(CC1CCCC1)NCc1cc(F)c(F)c(F)c1,-0.9914893507957458
+Cc1coc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1,-1.316769003868103
+Cc1cc(F)ccc1C(=O)NC[C@@H](O)c1cccc(F)c1,-1.061377763748169
+Fc1ccc(NCC2CCN(c3ccccc3)CC2)cc1Br,-1.0166677236557007
+Fc1ccc(CNc2nc(-c3ccc(Cl)cc3F)cs2)cc1,-0.6215073466300964
+Cc1ncccc1C(=O)NC1CCN(c2ccc(N)cc2)CC1,-1.0335931777954102
+O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8884304761886597
+C[C@H]1CN(C(=O)Nc2cccc(F)c2)CCN1c1ccccc1,-1.0797964334487915
+O=C(NCc1ccc(I)s1)N1CCC[C@H](CO)C1,-1.4492968320846558
+Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc[nH+]c2c1,-0.6242910623550415
+O=C(Nc1ccc(F)cc1Cl)c1cccc(-c2ccccc2)c1,-0.9673035144805908
+CC1CCCCC1OCC(=O)N1CCN(C(C)(C)C)CC1,-1.246360421180725
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084505319595337
+C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)C1,-1.2321488857269287
+CCC(Oc1ccc(Oc2ccc(C)cc2)cc1)C(=O)O,-1.549055814743042
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1,-1.4430488348007202
+CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N)cc1,-1.1278287172317505
+Cc1cc(I)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.0119439363479614
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125272750854492
+Fc1ccc(CCc2ccc(Br)cc2)cc1,-1.5694935321807861
+Cc1ccccc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.09650719165802
+Cc1nc(C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)cs1,-1.0383870601654053
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.6329344511032104
+CCCN=C(O)n1c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21,-0.8091242909431458
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.946277916431427
+O=C(NCC1CCCCC1)N1CC[C@@H](F)C2(CCCC2)C1,-1.441580891609192
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2[nH]1,-0.9683500528335571
+O=C(Cc1ccccc1)NCc1cc2ccc(Br)cc2o1,-1.3354153633117676
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0668492317199707
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1565566062927246
+Cc1cc(C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)no1,-1.1390656232833862
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9403387904167175
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CC(F)(F)C1,-1.3217668533325195
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0353915691375732
+O=C(Cn1ccc2ccccc21)NCc1ccc(F)cc1,-1.3523701429367065
+Nc1cccnc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-0.9919159412384033
+C[NH+]1CCC2(CC[NH+](CCNC(=O)c3ccccc3)C2)C1,-1.572386384010315
+C[C@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.4213165044784546
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)n[nH]1,-0.921585738658905
+COc1ccccc1C(=O)N1CCOC[C@H]1c1ccc(C)cc1,-1.185359239578247
+O=C1CC(NCc2cccc(F)c2)CN1c1ccccc1,-1.3682557344436646
+N#Cc1ccc(-c2nc(-c3ccc(-c4ccc(F)cc4)cc3)no2)cc1,-0.7423050403594971
+O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1,-1.3430757522583008
+O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1cccc(Cl)c1,-1.4877482652664185
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1CC1CCCCC1,-1.2386621236801147
+Fc1ccc(C[NH+]2CCCC[C@@H]2Cc2ccc(Br)cc2)cc1,-1.1288483142852783
+Cc1cc(CNCCc2ccc(F)cc2)c2ccccc2n1,-1.0128467082977295
+O=C1N(Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.4633147716522217
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2s1,-1.1234824657440186
+O=C(Nc1ncccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8660981059074402
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.826029896736145
+O=C(NC[C@H](O)c1cccc(Br)c1)N1CCc2ccccc2C1,-0.9812678098678589
+O=C(Nc1ccn(C2CCCCC2)n1)c1cc2ccccc2s1,-0.9493822455406189
+O=C(N1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2585163116455078
+Cc1nc(-c2ccccc2C(=O)NCCC(C)(C)O)n[nH]1,-1.1983795166015625
+Cn1cc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2)cn1,-0.9906212091445923
+O=C(Nc1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1799852848052979
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.0152281522750854
+Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.4100176095962524
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(O)cc2)cc1,-1.5315423011779785
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.20386803150177
+Cc1ccc(NC(=O)N2CCC(c3ncccn3)CC2)c(Br)c1,-0.7304080724716187
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.4195610284805298
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1543900966644287
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC[C@@H](O)C1,-1.1492693424224854
+O=C(Nc1ccccc1)N1CCC(c2ccc(F)cc2Cl)CC1,-0.9165740013122559
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0600829124450684
+COc1ccc(CC(=O)Nc2cc(F)c(C)cc2N)cc1,-1.0407549142837524
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.3955343961715698
+CCOC(=O)N1CCC(c2ccc3c(c2)C[C@H](C)O3)CC1,-1.1894793510437012
+Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.526939868927002
+C[C@@H]1CN(C#N)CCN1c1ccc(COC2CCCCC2)cc1,-1.188676118850708
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.4060068130493164
+CC(C)(C)C(=O)NCc1ccc(N2CCNC2=O)cc1,-1.3048968315124512
+O=C(Nc1nc2ccccc2n1-c1ccccc1)C1CCCC1,-1.0221786499023438
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.303604006767273
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0455220937728882
+O=C(Nc1ccc(Br)cc1)N1CCC(N2CCCC2=O)CC1,-0.9790225625038147
+CC1(c2ccccc2)CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1654731035232544
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.190061330795288
+CCc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9365378022193909
+O=C(N[C@@H]1CCO[C@H](c2cccc(F)c2)C1)[C@H]1CCCC[C@H]1O,-1.1463263034820557
+Cc1ccc(C[C@H]2CCCCN2C(=O)c2csc(C)n2)s1,-0.8173196911811829
+O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,-0.6048750877380371
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2o1,-1.0178453922271729
+C[C@H]1CCCCN(C(=O)c2ccc(Nc3ccccc3)cc2)C1,-1.379817008972168
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.900737464427948
+Cc1ccc(C)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.1175061464309692
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3944220542907715
+CCCC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(C)C)C2)CC1,-0.9628420472145081
+Cc1cccc(CC2CCN(C(=O)c3ccccc3Br)CC2)c1,-0.9676649570465088
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.085726261138916
+C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2063548564910889
+COc1ccc(CNC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.6225143671035767
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2,-1.0845575332641602
+CCCN1CCN(C2CCCCC2)CC1,-1.7316339015960693
+COc1cc(Cl)ccc1NC(=O)[C@H]1CCS(=O)(=O)C1,-1.3759187459945679
+Cc1ccc(NC(=O)OCc2ccccc2)cc1,-1.6980781555175781
+O=C(c1ccccc1)N1CCC(Oc2ccc(F)cc2Br)CC1,-1.1045360565185547
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0722657442092896
+CCc1cc(Br)ccc1C(=O)Nc1ccc(C)c(C)c1C,-0.5416985750198364
+O=C(NCC1CCOCC1)Nc1ccc(F)cc1,-1.6507171392440796
+C=CCNC(=O)c1ccccc1OCCCCCC,-1.6744779348373413
+CC([NH3+])C1CCN(c2ccc(C(=O)N3CCCCC3)nn2)CC1,-0.7477935552597046
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4460915327072144
+Cc1cc(F)c(C(=O)NCc2ccc(F)cc2F)cc1C,-0.6332793235778809
+O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2ccccc2)CC1,-0.9168607592582703
+COc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-1.1591391563415527
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-0.9567911624908447
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Br,-0.8747156262397766
+C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)CC1,-1.4460663795471191
+N#Cc1ccc(C(=O)NCc2ccc(Br)c(Br)c2)cc1,-0.930687427520752
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3973009586334229
+O=C(Nc1ccccc1)c1ccc(OCCCBr)cc1,-1.5387365818023682
+CC(C)c1n[nH]cc1C(=O)N[C@H]1CCOC2(CCCC2)C1,-1.428789734840393
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2oncc2c1,-1.1087764501571655
+CC1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCC[C@H]3C)C2)CC1,-1.0681769847869873
+O=C(COc1ccccc1F)Nc1cc(F)c(F)cc1F,-0.8719637989997864
+Cc1ccc(Cl)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-0.9602405428886414
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.09187912940979
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9927868843078613
+Cn1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1,-1.1996819972991943
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.930367112159729
+c1ccc(C[NH+]2CCN3CC[NH+](CC4CCCCC4)C[C@H]3C2)cc1,-1.461054801940918
+O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2[nH]1,-0.9971680045127869
+C[NH+]1CCC2(CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1,-1.5921355485916138
+C[C@]1(c2ccc(Cl)cc2)CCN(C(=O)N[C@@H]2CCOC2)C1,-1.4390226602554321
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.9067010879516602
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8810646533966064
+Cc1cc(C(=O)N2CC[NH+](C)CC2)ccc1Nc1ccccc1,-1.2842661142349243
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1945220232009888
+Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cn1,-1.5576242208480835
+CC(C)(O)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.6189943552017212
+Cc1ccc(Br)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.0259032249450684
+CC(=O)N1CCC[C@H]1NC(=O)CCc1ccc(F)cc1,-1.3874366283416748
+Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2o1,-1.1940906047821045
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1983311176300049
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1O,-1.1770670413970947
+[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)nn2)CC1,-0.720255970954895
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9644712805747986
+O=C(O)c1ccc(CCc2ccccc2)cc1,-1.7064579725265503
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9832448959350586
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4433449506759644
+CC(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.0895673036575317
+C[C@H]1C[C@@H](NC(=O)c2ccccc2O)CCN1c1ccccc1,-1.1172770261764526
+CC1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2)CC1,-1.2442561388015747
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)on1,-1.0451546907424927
+Cc1ccncc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0299873352050781
+Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(F)cc2)cc1,-1.164839744567871
+O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccccc1F,-0.8819066286087036
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.4998793601989746
+COC[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C1,-1.356170654296875
+CCC1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.1472994089126587
+COCc1ccccc1CN1CCN(C(C)C)CC1,-1.6072758436203003
+Cc1ocnc1NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1,-1.1227623224258423
+C[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CCO1,-1.0693359375
+CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1,-0.6747006177902222
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0762032270431519
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4551918506622314
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0277236700057983
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9877408146858215
+O=C([O-])N1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1,-1.1034011840820312
+Nc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.338517427444458
+OC1=NCCCN(Cc2ccccc2)CC1Cc1ccccc1,-1.451639175415039
+Cc1ccc(C(=O)NC(C)Cc2ccc(F)cc2)c(C)c1,-1.0897120237350464
+Nc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3F)C2)cc1,-1.0950558185577393
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3O)CC2)c1,-1.1732919216156006
+O=C(N[C@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.1422321796417236
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-1.042993426322937
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCNCC2)cc1,-1.5158655643463135
+Cc1ccc2nc(CNC(=O)c3ccc(F)cc3)[nH]c2c1,-1.0072709321975708
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.8874509334564209
+CC(C)(O)CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1,-1.5607731342315674
+C[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2F)C1,-0.9398840665817261
+CC(C)c1nc(C[NH+]2CCC[C@@H](c3ccc(Cl)cc3)C2)no1,-0.9529473185539246
+O=C(c1ccc(O)nc1)N1CC[NH+](CCc2ccccc2)CC1,-1.338478446006775
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.3454115390777588
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)nc2)CC1,-0.9330209493637085
+Cc1ccc(OCc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.369154453277588
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)nc1,-1.1806586980819702
+O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)CCN2,-1.166960597038269
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6530426740646362
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5050451755523682
+O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CC2CCOCC2)CC1,-0.8578508496284485
+Cc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1,-1.5173590183258057
+O=C(NCc1ccc(Cl)cc1)NC1CCCCC1,-1.6189298629760742
+Cc1nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2[nH]1,-0.8516563177108765
+O=C(N[C@H]1CC12CCCC2)c1ccc(N2CCCC2)cc1,-1.380562424659729
+N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1,-1.0847963094711304
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9717066884040833
+O=C(CCC[NH+]1CCOCC1)N[C@@H]1CCC[C@@H]1c1ccccc1,-1.508902668952942
+Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c(O)n1,-1.0695276260375977
+O=C(CC[NH+]1CCSCC1)Nc1ccc(-c2ccccc2)cc1,-1.4754694700241089
+C[NH+]1CCC(C(=O)N2CCC(CCc3ccccc3)CC2)CC1,-1.4893814325332642
+COc1cccnc1N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9619014263153076
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019465208053589
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.136957049369812
+Cc1ccccc1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)C2,-1.2581247091293335
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5330659747123718
+CCCCC(=O)NC1CCN(C(=O)c2ccc(N)cc2)CC1,-1.395426869392395
+CCCCc1cccc(C(=O)NCc2ccccc2)c1,-1.6675375699996948
+O=C(Cc1ccc(Cl)cc1)NC[C@H]1CC2(CCC2)O1,-1.587813138961792
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2931488752365112
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.0612633228302002
+COc1ccc(NC(=O)CN=C(O)Cc2ccccc2)cc1,-1.5559215545654297
+O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2418118715286255
+Cc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1F,-0.6129355430603027
+Cc1cccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2275959253311157
+O=C(O)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1,-0.9774163961410522
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.025820016860962
+C[NH+]1CCN(C(=O)NC[C@@H]2CCC3(CCOCC3)C2)CC1,-1.5495392084121704
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2o1,-1.0441553592681885
+C[C@H]1C[C@H](NC(=O)Cc2ccccc2)CCN1c1ccccc1,-1.3366518020629883
+O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9482044577598572
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.910321056842804
+Nc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cn1,-1.5313092470169067
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2o1,-1.0891139507293701
+Cc1cc(F)ccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1,-0.7962795495986938
+Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[NH+](C2CCCCC2)C1,-0.9746105670928955
+C[NH+]1CCC(NC(=O)NC[C@@H]2CCCOC2)CC1,-1.6601624488830566
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2358195781707764
+COc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1,-1.4442071914672852
+C[NH+]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5618784427642822
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1051156520843506
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1928799152374268
+C[NH+]1CC[C@@]2(CCN(C(=O)NCCc3ccccc3)C2)C1,-1.5691710710525513
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.3783289194107056
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7364444732666016
+O=C(c1ccccc1Br)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.9268747568130493
+O=C(NC1CCN(c2ccccc2F)CC1)N1CCC[C@H](O)C1,-1.0579941272735596
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2678009271621704
+Nc1ccc(CCN2CCN(C(=O)c3cccnc3)CC2)cc1,-1.4212360382080078
+O=C(Nc1ccc2c(c1)NCC2)c1ccc(-c2nccs2)cc1,-0.9367271661758423
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.1883518695831299
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3C)CC2)cc1,-1.0930213928222656
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCCCC2)cc1,-1.147100806236267
+Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Cl,-1.1380817890167236
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6987048387527466
+Fc1ccc(CNc2cc(-c3ccc(Cl)cc3)ncn2)cc1,-0.947956919670105
+Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9007765054702759
+C[C@@H](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1,-1.5202839374542236
+Cc1ccccc1N1CCC[C@@H](NC(=O)Cc2ccccc2)C1,-1.3660084009170532
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1966180801391602
+Cc1ccc(C(=O)NCC(O)Cc2ccc(Cl)cc2)cc1,-1.3849973678588867
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.111390471458435
+C[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1ccccc1,-1.1173421144485474
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1O,-0.9875235557556152
+COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(O)cc2)nc1,-1.163391351699829
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(F)cc1,-1.106366753578186
+O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccs1,-0.8519923686981201
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0728187561035156
+CCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2C)C1,-1.492759346961975
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0857611894607544
+O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(F)cc1,-1.2793329954147339
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Br)c2)n[nH]1,-0.9989491105079651
+CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.1062039136886597
+O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1O,-0.926875650882721
+Cc1nc2cc(NC(=O)COc3ccccc3)ccc2o1,-1.4928126335144043
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9956133961677551
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0183051824569702
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)s1,-1.0205687284469604
+O=C(Cc1ccc(F)cc1)NCC(=O)c1ccccc1,-1.6180092096328735
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.2949751615524292
+O=C(Nc1ccccc1)C1CCN(c2ccc(Cl)cc2I)CC1,-0.9004235863685608
+C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccn2)CC1,-0.9781301021575928
+O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1,-1.10916268825531
+Cc1ccc([C@H]2CCCN2C(=O)Nc2nnc(C)s2)cc1,-0.8394441604614258
+C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[C@H]1O,-1.2187767028808594
+CN=C(O)c1cccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1,-0.830339252948761
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1O,-0.9353381991386414
+CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1,-1.064949631690979
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.125246286392212
+Cc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1Cl,-1.2040613889694214
+CC[NH+]1CCN(C(=O)N2CCC(c3ccc(C)cc3)CC2)CC1,-1.0752272605895996
+CC1(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCCC1,-1.0799057483673096
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1837276220321655
+Oc1ccc(CC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5169641971588135
+[NH3+]c1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9942553639411926
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1,-1.3059194087982178
+O=C(NCc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1,-1.1745057106018066
+CN1CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1,-1.4587011337280273
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5143381357192993
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.029634714126587
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(O)cc2)no1,-1.3347258567810059
+Cc1csc(CCC(=O)NC[C@@H](O)Cc2ccccc2)n1,-1.5112711191177368
+Fc1ccccc1,-2.098660945892334
+O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-0.9776077270507812
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2312955856323242
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.087212324142456
+C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)C1CC1,-1.6135021448135376
+Cc1ccc(NC(=O)c2ccccc2N)c(-c2ccccc2)c1,-1.0687791109085083
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4390147924423218
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9767190217971802
+CCS(=O)(=O)N1CCN(C(=O)C2CC2)CC1,-1.6239076852798462
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0353193283081055
+CC(C)CN1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,-1.0116188526153564
+NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC3(CCCC3)C2)cc1,-1.402188777923584
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3315412998199463
+Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2222824096679688
+CC1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.3613532781600952
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.486646056175232
+O=C(Nc1ccc(-c2ccc(O)cc2)nc1)c1ccccc1Cl,-0.9739667177200317
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.03997802734375
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1247209310531616
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0735141038894653
+C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6638699769973755
+C[C@H]1CN(CCCNC(=O)c2ccc(O)cc2)C[C@H](C)O1,-1.5678322315216064
+Cc1ccc(C(=O)NC2CCN(c3ncccc3F)CC2)cc1,-0.9331346750259399
+CO[C@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.3753854036331177
+CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1333705186843872
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.092790961265564
+O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2ccc(F)cc2)CC1,-0.31775617599487305
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399632453918457
+O=C(C[NH+]1CCC[C@H](c2ccccc2)C1)Nc1cccc(Cl)c1,-1.2963471412658691
+Cc1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2)cc1,-1.5889512300491333
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.582624077796936
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)co1,-1.1259639263153076
+C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1F,-1.0568994283676147
+Cc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1,-1.439656376838684
+Cc1ncccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.03375244140625
+O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[NH+]2CCC[C@H]2C1,-1.0416525602340698
+O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.057471513748169
+O=C(NCC(O)Cc1ccc([O-])cc1)c1ccc(Br)cc1,-1.3766289949417114
+CC(C)(O)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-1.1858103275299072
+CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.1152113676071167
+O=C(NC1CCCCC1)N1CCC([NH+]2CCC(F)(F)CC2)CC1,-0.9487408399581909
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.336334466934204
+CC(C)(C)C(=O)NCc1ccc(N2CCCC2=O)cc1,-1.3239319324493408
+CC(=O)Nc1cccc(C(=O)N2CCSC(C)(C)C2)c1,-1.2389681339263916
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.3607622385025024
+Cc1cccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)n1,-0.9757128953933716
+CC1(C)C[NH+](Cc2ccc(Oc3ccccn3)cc2)CCO1,-1.5536059141159058
+Fc1ccc(OCc2noc(-c3ccc(Br)cc3)n2)c(F)c1,-0.9086217880249023
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2781553268432617
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2353912591934204
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0933345556259155
+CC1(C)CCC(NCc2ccc(-c3ccccc3)cc2)CC1,-1.4821454286575317
+O=C(Nc1ccccc1)C(=O)N1CCC[C@H](c2cnc[nH]2)C1,-1.3741514682769775
+COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.5767956972122192
+c1ccc(CNC2C[NH+](Cc3ccccc3)C2)cc1,-1.678161859512329
+Cc1ccc(N2CCC(OCc3ccccc3)CC2)cc1O,-1.4158788919448853
+Cc1ccccc1N1CCC(NC(=O)c2ccc(I)cc2)CC1,-0.9136784672737122
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.1668646335601807
+Cc1ccc(CC(=O)N2CCN(CC(O)=NC(C)C)CC2)cc1,-1.344104528427124
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.194887638092041
+CC[C@@H]1c2ccccc2CN1C(=O)C(=O)NC1CCCCC1,-1.181251883506775
+O=C1NCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.9163818955421448
+CCNC(=O)Nc1ccc(-c2noc(C)n2)cc1,-1.539422631263733
+COc1cccc(CC(=O)N2CCN(c3ccccn3)CC2)c1,-1.4389963150024414
+C[NH+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1,-1.1184682846069336
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(I)cc1,-0.9377003312110901
+CCCC(C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,-1.4516180753707886
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)cc1,-1.2744842767715454
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1396671533584595
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.423035979270935
+CC(O)(CNC(=O)N1CCC[C@H](O)C1)Cc1ccccc1,-1.5977048873901367
+CCCCc1nc(C(=O)Nc2ccc(OC)cc2)no1,-1.594407081604004
+CC(C)(CC(=O)NCc1ccc(Br)cc1)C1CCCCC1,-1.338853359222412
+CCNc1ccc(NC(=O)CN2CCCC2)cc1,-1.67030930519104
+Nc1ccccc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1,-1.016800045967102
+Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C)n1,-0.9654224514961243
+O=C(C[NH+]1CCCC12CCCC2)NCc1cccc(F)c1,-1.5320771932601929
+CC(C)(O)CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1,-1.6033024787902832
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588218450546265
+COc1ccc(CNC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.619953989982605
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.271783709526062
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1,-1.1494948863983154
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0873388051986694
+Cc1ccc(N2CCN(C(=O)C[NH+]3C[C@H](C)C[C@H](C)C3)CC2)cc1,-0.9560742974281311
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1179704666137695
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872133255004883
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.094577670097351
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2996569871902466
+c1cc(N2CCCC2)ccc1C[NH+]1CCC(N2CCOCC2)CC1,-1.3277461528778076
+O=C(c1ccc(I)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8421676754951477
+Cc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.1491191387176514
+Cc1nc(CNC(=O)CCCc2ccc(F)cc2F)no1,-1.0396027565002441
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1141479015350342
+Fc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)c(Cl)c1,-0.763836681842804
+CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.601442575454712
+C[NH+](C)C1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1,-1.0137039422988892
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2339451313018799
+O=C(NC[C@H]1CC12CCOCC2)N1CCC2(CCO2)CC1,-1.5686269998550415
+CC(C)c1ccc(NCc2ccc(F)c(F)c2)c(Br)c1,-0.7376543283462524
+O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1,-0.7472336888313293
+Fc1ccc(CN2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.1679141521453857
+C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1,-1.235984206199646
+O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCCC2)CC1,-1.0548545122146606
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2197611331939697
+Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.5128107070922852
+COc1ccc(Cl)cc1C(=O)N1CC[NH+](C2CC2)[C@@H](C)C1,-0.8740389347076416
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.8955393433570862
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nn1,-0.939419150352478
+Cc1cc(O)ccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1,-1.1821194887161255
+O=C(NCc1ccccc1)N[C@H]1CCC[C@H](F)C1,-1.6347482204437256
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9511207938194275
+CCCOc1ccccc1NC(=O)[C@H]1CCCC[C@H]1N,-1.4887211322784424
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2707405090332031
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.0854045152664185
+COc1ccccc1CNC(=O)c1ccc(Br)s1,-1.360526204109192
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.9998553991317749
+Nc1ccc(CC(=O)NCc2nc3ccccc3o2)cc1,-1.3427867889404297
+O=C(Nc1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1,-0.8747391104698181
+Nc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.1580767631530762
+O=C(Nc1ccc(F)cc1Cl)N1CCSC[C@H]1c1ccccc1,-0.8791075944900513
+CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-0.7872713804244995
+O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1ccc(F)cn1,-0.9162083864212036
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568342208862305
+O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.0129358768463135
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8309490084648132
+Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9072744250297546
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0061901807785034
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.129396915435791
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncoc2c1,-0.9095052480697632
+CC1(P)CCCN(c2ccc(COc3ccccc3)cc2)C1,-1.48443603515625
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390116453170776
+CC(C)C(N)C(=O)Nc1ccc(OC(C)(C)C)cc1,-1.565570592880249
+O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1673294305801392
+Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3315263986587524
+Cc1cnc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)s1,-0.8194131851196289
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(Cl)cc1,-1.1079696416854858
+O=C(Nc1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCCCC1,-1.2507315874099731
+Cc1ccc(NCc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.31802499294281
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1692644357681274
+O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2o1,-1.283384919166565
+O=C(Nc1ccccc1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0710034370422363
+O=C(Cc1cc2cc(Cl)ccc2[nH]1)OCc1ccccc1,-1.5077992677688599
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1139024496078491
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1F)C1CCOCC1,-0.86724454164505
+C[NH+]1CCN(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.3248969316482544
+Cc1ccc(OCC(=O)N2CCCCC2c2ccccc2)cc1,-1.4025393724441528
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4642544984817505
+Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.154412031173706
+Cc1nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n[nH]1,-0.8249029517173767
+O=C(Nc1cccc2[nH]cnc12)c1ccc(N2CCCC2)nc1,-1.021638035774231
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9246158003807068
+O=C([C@H]1CC=CCC1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.2433987855911255
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5290695428848267
+O=C(Nc1ccc(F)c(O)c1)N1CCC[C@@H]1[C@H]1CCCO1,-1.1712006330490112
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n[nH]1,-0.9089024066925049
+Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2F)cc1,-1.0530258417129517
+COc1ccc(CN(C)Cc2ccc(C)cc2)cc1,-1.6111785173416138
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0472148656845093
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124820709228516
+Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1Br,-1.111971378326416
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2412960529327393
+Cc1ccc(C(=O)NCc2cc3ccccc3s2)cc1O,-1.0559598207473755
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4198535680770874
+C[NH+]1CCC[C@@H](C(=O)NCC2CCC3(CC2)OCCO3)C1,-1.5575907230377197
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2679030895233154
+Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2210429906845093
+CC(=O)NCc1ccccc1Cc1ccccc1,-1.7114604711532593
+Fc1cccc(Nc2ncc(Cl)nc2Cc2ccccc2)c1,-0.9756026268005371
+Cc1cc2ccccc2n1CC(=O)NCc1ccccc1,-1.3977582454681396
+O=C(C1CCCCC1)N1CCO[C@]2(CCCN(c3ccc(F)cc3)C2)C1,-1.1626113653182983
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9437733292579651
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.3628485202789307
+O=C(Nc1ccc(F)cc1)C(O)=NC1CCN(c2ccccc2)CC1,-1.1004854440689087
+Cc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.1642926931381226
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8855327367782593
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2756686210632324
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2355316877365112
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2426798343658447
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8956415057182312
+Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.1696434020996094
+Fc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1921221017837524
+C[C@H]1[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CCC[NH+]1C,-1.0936247110366821
+Cc1nc(CC(=O)Nc2csc(-c3ccccc3)n2)cs1,-1.1724027395248413
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1039788722991943
+Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0832741260528564
+O=C(N[C@H]1C[C@H](O)C1)N1CCN(c2cccc(F)c2)CC1,-1.3219434022903442
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567904472351074
+C[C@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(F)cc1,-1.3140968084335327
+O=C(Cc1ccc(F)cc1)N1CCC[C@H](Oc2ccccc2)C1,-1.4204716682434082
+Cn1c(C(=O)Nc2ccc(C(N)=O)nc2)cc2ccccc21,-0.86139315366745
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5480352640151978
+O=C(Cc1ccc(Cl)cc1)NCC(=O)c1ccccc1,-1.5342110395431519
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.384812355041504
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0593527555465698
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2877477407455444
+O=C1CCC(C(=O)NC2CCC(c3ccccc3)CC2)CC1,-1.3068193197250366
+C[C@@]1([NH+]2CCCC2)CCN(C(=O)Nc2ccc(Cl)cc2)C1,-1.2276031970977783
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1I,-0.7739788889884949
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3148802518844604
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.9167270660400391
+O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2O)CC1,-1.0607028007507324
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070008397102356
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9831023216247559
+O=C1CC(C(=O)Nc2ccc(N3CCCCC3)cc2)CCN1,-1.3149982690811157
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1908209323883057
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695279836654663
+CC1CCN(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)CC1,-1.331162691116333
+CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]2C2CCOCC2)n[nH]1,-1.1542813777923584
+CC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,-0.9372541904449463
+O=C(Nc1cc(F)ccc1F)N1CCCC[C@@H]1c1ccccc1,-0.9492254257202148
+Cc1cc(O)ccc1C(=O)NC1CCC(C(C)(C)C)CC1,-1.0421925783157349
+CC(C)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.178505301475525
+c1ccc(Cc2noc([C@@H]3CCCC[C@H]3c3ccccc3)n2)cc1,-1.1702362298965454
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.9576137661933899
+O=C(NCC1CCCCC1)Nc1ccc(Br)cn1,-1.46621572971344
+O=C(NC1CC(c2ccccc2)C1)c1cncc2ccccc12,-1.0416456460952759
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1N,-1.2971075773239136
+CC(C)c1ccc(OCCOc2ccccc2)cc1,-1.6965274810791016
+CO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)C1,-1.3015165328979492
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238739490509033
+O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(I)cc1,-0.9106237292289734
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0488239526748657
+Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1,-1.0696070194244385
+CC[C@H](C)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9750157594680786
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+]3CCCCC3)C2)c(O)c1,-1.0887621641159058
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.465061902999878
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123079538345337
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl,-1.0544373989105225
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-1.0363330841064453
+O=C(Nc1ccccc1-c1ccc(F)cc1)[C@@H]1CCCC[C@H]1F,-0.9113143682479858
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6933656930923462
+O=C(c1ccc(O)cc1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1,-1.2726306915283203
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.9786595106124878
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(F)c1,-1.4116724729537964
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.296677589416504
+CC1(C)CN(Cc2ccc(Oc3ccccc3)cc2)CCO1,-1.5773588418960571
+COc1ccc(CC(=O)Nc2ccc3c(c2)OCC3)cc1,-1.4704689979553223
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0840879678726196
+Cc1ccc(C(=O)NCCOc2ccccc2)o1,-1.7027498483657837
+O=C(NCc1csc(C2CCOCC2)n1)C1(O)CCCCCC1,-1.3604490756988525
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0373520851135254
+O=C(NCc1cccc(Br)c1)c1cc2cc(Br)ccc2[nH]1,-0.8537575006484985
+C[NH+]1CCN(C(=O)c2ccccc2Cl)[C@H](Cc2ccccc2)C1,-1.0237849950790405
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2450225353240967
+c1ccc(N2CCOCC2)c(C[NH+]2CCC[C@@H]2C2CCOCC2)c1,-1.324158787727356
+Cc1cc(C(=O)N[C@H]2CCOC2)n(-c2ccc(Cl)cc2)n1,-0.9983604550361633
+O=C(Nc1ccc(I)cc1)N1CCN(c2ccccc2F)CC1,-0.8708357810974121
+O=C(Nc1ccccc1)c1ccc(F)cc1F,-1.632419466972351
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9461603164672852
+O=C(c1ccc(O)cc1)N1CCC2(CCN(CC(F)(F)F)CC2)C1,-0.9792909622192383
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.4442715644836426
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2084338665008545
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1985195875167847
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960838913917542
+O=C(Nc1ccccc1F)N1CCC(c2cccc(Cl)c2)CC1,-0.903073787689209
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.0711140632629395
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.138321876525879
+Cc1cc(C(=O)NCc2ccc3[nH]ccc3c2)ccc1F,-1.048259973526001
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9674695134162903
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0927282571792603
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCCO2)CC1,-1.4608402252197266
+Fc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1,-1.1388388872146606
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9642223715782166
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706621408462524
+CC1CN(c2ccc(CNC(C)(C)C)cc2)CC(C)O1,-1.5570752620697021
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.014570951461792
+[NH3+][C@H]1CCCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1,-1.3450379371643066
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2885315418243408
+O=C(NCc1cc(F)ccc1F)c1ccc2c(c1)CCO2,-0.9798403382301331
+O=C(NCCc1cccc(Br)c1)c1ccc2c(c1)OCO2,-1.2315534353256226
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4238592386245728
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCCC[C@@H]1O,-1.1179922819137573
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0884391069412231
+Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCC4)CC2)s1,-0.9988992810249329
+O=C(CCc1cccc(F)c1)NCc1ccc(F)cc1Br,-1.1436793804168701
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1271448135375977
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1,-1.0045013427734375
+CC1(C)CC(NC(=O)C2CCN(c3ccccc3)CC2)C1,-1.5304349660873413
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N1CC[C@H](F)C1,-1.027388572692871
+CC(C)(CCc1ccccc1)NC(=O)c1cccc(Br)c1,-1.4952865839004517
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.1593879461288452
+Nc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.236711025238037
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823177337646484
+Cc1ccc(NC(=O)c2cc(N3CCCCC3)ccc2N)cc1,-1.0285379886627197
+CC1CCCN(C(=O)c2ccccc2NCC(=O)O)C1,-1.4251320362091064
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2s1,-0.9250804781913757
+O=C(NCCCc1ccc(F)cc1F)c1cc2ccccc2s1,-0.9471307396888733
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCOCC1,-1.1489636898040771
+CC[C@H](C)C(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.1195107698440552
+O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1)c1ccccn1,-0.8498795032501221
+O=C(NC1CCN(c2ccc([O-])cc2)CC1)c1ccccc1Br,-1.0568324327468872
+O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9654809832572937
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9726595282554626
+Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1,-1.3668166399002075
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1-c1ccccc1,-1.0133440494537354
+CC(C)(C)OC(=O)CCc1ccc(N2CCCCC2)cc1,-1.5792737007141113
+Cc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1,-1.4219845533370972
+O=C(NCc1cccc(Cl)c1)Nc1ccccc1,-1.6228283643722534
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.1108193397521973
+Cc1ccc(N2CCC(NC(=O)c3ccccn3)CC2)c(C)c1,-1.0043727159500122
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0074968338012695
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1518908739089966
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.771452009677887
+O=C(Cc1nc2ccccc2s1)Nc1ccc(O)cc1,-1.2248713970184326
+O=C(Nc1ccccc1Cl)[C@@H]1CCC(=O)N1C1CCCCC1,-0.9763225317001343
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.053613543510437
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2356520891189575
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8871261477470398
+CC(C)(O)CNC(=O)N1CCCC[C@@H]1c1ccc(Br)cc1,-1.34129798412323
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.981408953666687
+CCOc1ccccc1NCc1ccc(F)cc1Br,-1.2552729845046997
+Nc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3338963985443115
+O=C(C[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1cccc(Cl)c1,-1.327028512954712
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.8807798624038696
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1F,-0.9750997424125671
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4095340967178345
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3627607822418213
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2841898202896118
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0264424085617065
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.0613362789154053
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9350371956825256
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1217119693756104
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.955961287021637
+COc1ccc(C2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1,-1.2624053955078125
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCc2cc(F)ccc2C1,-0.5023311376571655
+N#Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1,-1.5288574695587158
+CC(C)C(C)(O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.2955904006958008
+O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)cc1,-0.9196267127990723
+CN1CC[C@H](C(=O)NCCc2cccc(Br)c2)CC1=O,-1.1044325828552246
+Oc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.4438645839691162
+Cc1ccc(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1,-1.377651572227478
+c1cc(N2CCOCC2)ccc1C[NH+]1CCN(C2CCCC2)CC1,-1.3473014831542969
+CC(C)(C)CCC(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1,-1.0872666835784912
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.361250877380371
+C[C@H]1CC[NH+](CCNC(=O)NC2CCCCC2)C1,-1.657455563545227
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)cn1,-1.0367592573165894
+CC(C)(C)C(=O)Nc1nc2ccccc2nc1-c1ccc(F)cc1,-0.6219819784164429
+O=C(c1ccc(Cl)cc1F)N1CCC(Cc2ccccc2)CC1,-1.045233130455017
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.1793298721313477
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9780710339546204
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.139830231666565
+CCOC(=O)c1ccc(-c2ccc(C)c(N=[N+]=[N-])c2)cc1,-1.2457138299942017
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.191435694694519
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.556618571281433
+O=C(Cc1ccc(O)cc1)Nc1ccc(C(=O)O)cc1,-1.5596855878829956
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9901782870292664
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2)n1,-1.068760633468628
+CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1,-1.109212875366211
+CC(=O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.6295918226242065
+O=C(NC[C@@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2,-1.5501749515533447
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccncc3C)CC2)c1,-1.0944628715515137
+Cc1cccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1,-0.870487630367279
+CCNCc1cccc(-n2cc(C(=O)O)cn2)c1,-1.5856990814208984
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2Br)cc1,-1.2083439826965332
+C[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2CCC(C)(C)O)C1,-1.4458069801330566
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1641390323638916
+O=C(NCc1ccccc1CCCCl)c1ccccc1,-1.5427111387252808
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.0507465600967407
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1854915618896484
+O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1,-0.9949215650558472
+Nc1ccc(CNC(=O)c2cc3ccc(F)cc3o2)nc1,-1.0109177827835083
+O=C(N[C@H]1CCCC[C@H]1N1CCCC1=O)c1ccc(Cl)cc1,-0.9442749619483948
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8958641886711121
+O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6131429672241211
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.06496262550354
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8716903328895569
+CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.4870617389678955
+CC(C)(C)c1ccc(NC(=O)N2CCCC[C@H](O)C2)cc1,-1.322455644607544
+O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1861770153045654
+C[NH+]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3551462888717651
+CC1CCN(C(=O)C[NH+]2CCN(Cc3ccccc3)CC2)CC1,-1.4691846370697021
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9677960276603699
+C[C@@H]1CN(C(=O)Nc2ccccc2F)CCN1c1ccccc1,-1.0379515886306763
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)C)CC2)cc1,-1.43562650680542
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.078352451324463
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2409658432006836
+Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCCC3)CC2)cc1,-1.394084095954895
+Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3[NH3+])cc2)cc1,-1.0751514434814453
+O=C(Nc1ccc(-c2ccccc2)cc1Cl)c1ccc(F)cc1,-1.0659942626953125
+C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3F)CC2)C1,-0.5568909645080566
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCOC3)CC2)c(C)c1,-1.2683731317520142
+Cc1ccc(COc2ccc(N3CCO[C@@H](C)C3)nc2)cc1,-1.4176242351531982
+O=C(N[C@H]1CCCN(c2ccccc2Br)C1)c1ccc(O)cc1,-1.093436360359192
+CC(C)c1ccc(Nc2cc(Br)n(-c3ccccc3)n2)cc1,-0.9891859889030457
+C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)c1ccc(Br)cc1,-0.8546003699302673
+C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)C1,-1.3158891201019287
+CCCOc1ccc(NC(=O)c2ccccc2N)cc1,-1.6018602848052979
+O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2Br)CC1,-0.908668577671051
+Nc1cccnc1-c1ccc(NC(=O)Cc2ccccc2)cc1,-1.2335840463638306
+Cc1ccc(C(NC(=O)c2ccc(Cl)cc2)C(C)C)cc1,-1.1235599517822266
+Cc1ccc([C@H]2CN(C(=O)Nc3ccccc3Cl)CCO2)cc1,-1.096040964126587
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2687734365463257
+Cc1nc(NC(=O)N2CCC[NH+](CC(C)(C)C)CC2)no1,-1.2093462944030762
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5005384683609009
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.2347608804702759
+O=C(C[NH+]1Cc2ccccc2C1)NCc1ccc(Cl)cc1,-1.2842613458633423
+C[NH+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(F)cc2)C1,-1.0848349332809448
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617204070091248
+Nc1cnc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1,-0.4986605942249298
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0750749111175537
+CC(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1,-1.4882888793945312
+CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2)CC1,-1.561638355255127
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1104286909103394
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8741559386253357
+Cc1ccc(-n2c(S)nnc2COc2ccccc2Br)cc1,-0.8005152344703674
+Cc1cccc(Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-0.9649388790130615
+Cc1ccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1,-1.0954936742782593
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1435143947601318
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.905630350112915
+Clc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)cc1,-1.1087167263031006
+COc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cn1,-0.9077693223953247
+CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1,-0.8337815403938293
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846805572509766
+CCC(C)(C)C(=O)NCc1ccc(C2CCOCC2)cc1,-1.5258657932281494
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0190660953521729
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2o1,-0.9927046298980713
+O=C(C[C@H]1CCO[C@]2(CC[NH2+]C2)C1)C1=CCC[C@H](c2ccccc2)C1,-1.4222842454910278
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6073557138442993
+O=C(Nc1cc(O)ccc1F)N1CC[NH+](C2CCCCC2)CC1,-1.0261807441711426
+Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(O)cc2)cn1,-1.187699556350708
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1700003147125244
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCO3)c(F)c1,-1.0405632257461548
+Cc1ccc(S)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1083455085754395
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9888076782226562
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0049208402633667
+Cc1cnc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,-0.996850311756134
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0909570455551147
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1,-1.4429823160171509
+CC(C)[C@@H]1COCC[NH+]1CC(=O)Nc1cc(F)ccc1F,-1.0686943531036377
+Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.1939706802368164
+O=C(Nc1cccc(O)c1F)N1CCN(c2cccnc2)CC1,-0.9781507253646851
+CC1(O)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.5374773740768433
+Cc1c(NCc2ccc(F)cc2)cnn1-c1cccc(Cl)c1,-0.8272967338562012
+O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1,-1.5632421970367432
+Cc1cc(C(=O)N(C)CCc2ccccc2)nc2ccccc12,-0.9487996697425842
+Cc1ccc(-c2nnc(NC(=O)c3coc(C)n3)s2)cc1,-0.8938007354736328
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.18231999874115
+Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.302864909172058
+Cn1cc2c(n1)CN(C(=O)NCc1cccc(F)c1)CC2,-0.9162750244140625
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1797579526901245
+CN(CNC(=O)c1ccco1)c1cccc(Br)c1,-1.5131409168243408
+O=C(c1ccccc1O)N1CCCC[C@H]1Cc1ccc(F)cc1,-1.0759791135787964
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(O)cc1,-1.396017074584961
+CC(C)(C)C[C@@H](C(=O)NCc1ccccc1)c1ccco1,-1.5616118907928467
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCOCC3)C2)c(F)c1,-1.0456124544143677
+Cc1ccc(OCc2ccc(C)cc2-c2ccccc2)cc1,-1.3775845766067505
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1680269241333008
+CCC[NH+]1CCC[C@@H](CNC(=O)c2ccncc2F)C1,-1.4465082883834839
+C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0059705972671509
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.2237330675125122
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(O)cc1F,-1.0835210084915161
+CC(C)C(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0202133655548096
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0455256700515747
+O=C(Cc1ccc(F)cc1F)NCCc1ccc(Br)cc1,-1.1507066488265991
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.1077498197555542
+O=C(CCc1ccc(O)cc1)NCc1cc(Br)ccc1Cl,-1.097008228302002
+O=C(c1ccccc1F)N1CCC[C@@H](Nc2ccc(F)cc2)C1,-0.9708834886550903
+C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.9971098899841309
+Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2C)oc1[N+](=O)[O-],-1.1290245056152344
+Nc1ccc(F)cc1NC(=O)c1ccc(C2CCOCC2)cc1,-1.009373426437378
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2o1,-0.9913470149040222
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4727647304534912
+Cc1cc(O)ccc1CNC(=O)Cc1ccc(Br)cc1C,-0.9874069094657898
+Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)no1,-1.438199520111084
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3822542428970337
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.103632926940918
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.953425407409668
+COc1sc(C)cc1C(=O)NCc1ccccc1,-1.5688332319259644
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)on1,-1.042745590209961
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0844769477844238
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1621322631835938
+O=C(C1CC(F)(F)C1)N1CCC(Cc2ccccc2)CC1,-1.2303791046142578
+Oc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl,-1.272185206413269
+Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-1.0395010709762573
+O=C(NCc1ccccc1F)N1CC2(CCC[NH2+]CC2)C1,-1.453434705734253
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.0068367719650269
+COc1c(C(=O)NCC2CCCCC2)cnn1C,-1.4167664051055908
+CC(C)(Cc1ccccc1)C(=O)NCCc1ccccc1,-1.6064447164535522
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.438779354095459
+O=C(c1cc2ccccc2nc1-c1ccc(F)cc1)N1CCC(O)CC1,-0.6278986930847168
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.012215495109558
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.506799340248108
+CC1(NCc2ccc(Cl)cc2)CCC(c2ccccc2)CC1,-1.3174580335617065
+Cc1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)ccn1,-1.3297113180160522
+COc1cccc(C(=O)NC[C@H]2CC23CCC3)c1,-1.6167988777160645
+Cc1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2n1,-0.5322120785713196
+CC1(C)CN(C(=O)c2ccc(F)cc2)CC[C@@H]1c1ccc(F)cc1,-0.7123003602027893
+CN1CCN(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc21,-0.50503009557724
+NC(=O)Cc1ccc(Cl)cc1,-1.8638190031051636
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-1.0733006000518799
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536201000213623
+O=C(c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1,-1.191753625869751
+Cc1ccccc1CN(C)C(=O)[C@@H]1CCOC2(CC[NH2+]CC2)C1,-1.5017414093017578
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.346664547920227
+CC(C)[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)cc1,-1.5701149702072144
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517687916755676
+CN(C(=O)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1,-1.0656311511993408
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.069999098777771
+COC(=O)c1ccc(CC(=O)c2ccc3c(c2)OCO3)cc1,-1.2748736143112183
+Cn1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1,-0.9781627655029297
+[2H]c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1,-1.2348132133483887
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.0305712223052979
+CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(O)cc1,-1.3676495552062988
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.4465131759643555
+O=C(C1CCOCC1)N1CCC[NH+](Cc2ccc(O)cc2)CC1,-1.5180981159210205
+O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CCCCC1,-1.5026497840881348
+O=C(O)c1cccc(COCc2ccccc2)c1,-1.7365291118621826
+Cc1ccc(C(=O)NC2CCN(c3ccccc3N)CC2)cc1,-1.06141996383667
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589129686355591
+O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1Cl,-0.6702826619148254
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114423513412476
+O=C(Nc1ccc(N2CCOC2=O)nc1)c1ccc(F)cc1,-1.1464860439300537
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199573040008545
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0744850635528564
+Cc1ccc(F)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0226542949676514
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1746649742126465
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cn2)CC1,-0.9431080222129822
+C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2213928699493408
+C[NH+]1CCC(CNc2ccc(O)cc2-c2ccccc2)CC1,-1.3127121925354004
+O=C(C(O)=NCc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.1211270093917847
+Cc1csc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-0.9976636171340942
+Cn1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cn1,-0.9908789992332458
+O=C(Nc1ccc(O)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1,-1.0115970373153687
+O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1,-1.4203978776931763
+c1ccc(Cc2nc3ccccc3nc2CN2CCCCC2)cc1,-1.0392245054244995
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2431646585464478
+Clc1cc(NCc2ccc([NH+]3CCOCC3)cc2)ccc1Br,-1.0618237257003784
+Cc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1,-1.0775830745697021
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.24130380153656
+Cc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2289302349090576
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.3525946140289307
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1758264303207397
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741681814193726
+Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2c2ccccc2F)cc1,-1.0965144634246826
+C[C@H]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6328542232513428
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0076547861099243
+C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC[C@@H]1c1ccccc1,-1.0990619659423828
+Cc1ccc(C(=O)NCCc2ccc3ccccc3c2)c(Cl)n1,-0.8101266622543335
+Cn1ccc([C@H]2CCC[C@H]2NC(=O)c2ccc(F)cc2)n1,-1.014328122138977
+Cc1ccc(-n2nccc2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.1682987213134766
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.210259199142456
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.3314943313598633
+Cc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.2108025550842285
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3cnn(C)c3)C2)o1,-1.1942733526229858
+O=C(CCC[NH+]1CC[C@@H](C2CC2)C1)NCc1ccccc1,-1.56473708152771
+Cc1nc2ccc(CNC(=O)N3CCC[C@H](O)C3)cc2s1,-0.9481146931648254
+CCOc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.4880192279815674
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571057558059692
+COc1ccc(C(=O)NCC(O)=Nc2ccc(Cl)cc2)cc1,-1.2814064025878906
+Cc1ncccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1,-0.9042661190032959
+c1ccc(Cc2ncc3c(n2)CN(Cc2ccccc2)CC3)cc1,-1.0388283729553223
+O=C(c1ccc(O)cc1)N1CCC(Nc2ccccc2F)CC1,-1.07723867893219
+Cc1ccc(CNC(=O)N2C[C@H](C)Oc3ccccc32)s1,-1.219111442565918
+Cc1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cn1,-1.1063883304595947
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8835264444351196
+CCc1cc(S(=O)(=O)N[C@@H]2CCC3(CCCCC3)C2)ccc1F,-1.1488761901855469
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318762183189392
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0346994400024414
+Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH+](C)C2)CC1,-1.128339409828186
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6724945306777954
+Cc1cc(C(=O)N2CCC(Cc3nnc(C)s3)CC2)no1,-0.8241559267044067
+CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.6209931373596191
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-1.072104573249817
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2530453205108643
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4410760402679443
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2C)cc1,-1.4436975717544556
+CC(C)c1cccc(C(=O)NCCC(O)=NC2CCCC2)c1,-1.316697597503662
+Cn1ncnc1CC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.8356075882911682
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139811277389526
+Cc1ccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)cc1,-1.5630238056182861
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1710270643234253
+O=C(Nc1ncccc1Cl)N1CCCC[C@@H]1c1ccc(F)cc1,-0.7518386244773865
+Cc1nc(CNC(=O)c2ccc3c(c2)OCCCO3)cs1,-1.131261944770813
+O=C([O-])C1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1,-1.1375277042388916
+O=C(NCc1ccc2sccc2c1)c1ccc(Cl)c(Cl)c1,-0.7697892189025879
+Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cn1,-0.9283809661865234
+Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c([NH3+])c1,-1.1444705724716187
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.180098533630371
+O=C(Nc1cccc(Br)c1)N1CCC[C@H](N2CCCC2=O)C1,-0.9854314923286438
+Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0359609127044678
+Cc1cc(C(=O)N2CCC[C@H](c3cccc(Cl)c3)C2)c2ccccc2n1,-0.37843552231788635
+Cc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,-0.9171431064605713
+Oc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.4826016426086426
+CCOC(=O)COC(=O)c1cc(Br)ccc1F,-1.5182539224624634
+CC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2F)CC1,-1.115886926651001
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1850563287734985
+NS(=O)(=O)CC#Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.5149658918380737
+CC(N)COc1ccc(OCc2ccccc2)cc1,-1.7125468254089355
+CC(C)(CC1CC[NH+](Cc2ccccc2)CC1)C(N)=O,-1.5594844818115234
+O=C(Cn1ccc2ccccc21)NCc1ccc(F)cc1,-1.3633733987808228
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1038323640823364
+O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCC[C@@H]1c1ccccc1,-0.9132282733917236
+CC(C)C(=O)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1,-1.23916757106781
+NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1,-1.0004209280014038
+COc1ccc(N2CCN(C(=O)c3cccc([NH3+])c3)CC2)cc1,-1.1643942594528198
+Cc1ccc(N(C)C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.156086802482605
+O=C(N[C@H]1CC12CCCCC2)c1ccc(N2CCOCC2)cc1,-1.5015357732772827
+O=C(Cc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1,-1.0851095914840698
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.071681022644043
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.5487737655639648
+O=C1NCCN1c1ccc(F)cc1,-1.7790899276733398
+COc1cccc(C(=O)N[C@H]2CCC(=O)C(C)(C)C2)c1,-1.3606576919555664
+Cc1ccc(COC2CCN(c3ccc(C)cc3)CC2)cc1,-1.4375576972961426
+Cc1ccc(NC(=O)c2ccccc2C)cc1,-1.6337436437606812
+CC(C)(CNC(=O)c1ccc(N)c(F)c1)c1ccccc1,-1.163533329963684
+C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](c3ccc(Cl)cc3)C2)C1,-1.0519260168075562
+O=C(Nc1cccc(-n2cncn2)c1)c1ccc2ncoc2c1,-1.0511974096298218
+O=C(NCc1ccc(F)cc1)C(=O)c1ccc(O)cc1,-1.458701729774475
+Cc1nccnc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1421958208084106
+Cc1nnc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)s1,-0.6520679593086243
+Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-1.0252752304077148
+COc1ccc(NS(=O)(=O)Cc2ccc(O)cc2)cc1,-1.633604645729065
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1310867071151733
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464779138565063
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4776623249053955
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5795499086380005
+N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1,-1.3066226243972778
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3355393409729004
+CC(C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1341174840927124
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0945361852645874
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1,-1.3947871923446655
+Cc1ccc(CCC(=O)N2CCC(CC3CC3)CC2)cc1,-1.4385044574737549
+O=C(NCc1ccc(Cl)c(Br)c1)C1CC1C1CCOCC1,-0.8850564360618591
+O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2o1,-1.1267033815383911
+OC(=NCC(O)c1ccccc1)C1CCCN(Cc2cccc(F)c2)C1,-1.1248725652694702
+Cc1ccc(CNC(=O)Cc2nc3ccccc3o2)cc1,-1.4069387912750244
+O=C(Nc1ccc(O)cc1)C1CCN(c2ccccc2Cl)CC1,-1.0064961910247803
+Cc1ccc(CC(N)=O)cc1,-1.894248127937317
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ncccc1F,-1.314206838607788
+C[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.3277231454849243
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111658096313477
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8166177272796631
+Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1417694091796875
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(Br)cc2)CC1,-1.1472922563552856
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1,-0.9759186506271362
+C[NH+]1CCC(C(=O)N2CCN(CCc3ccccc3)CC2)CC1,-1.383036732673645
+NC(=O)N[C@@H]1CCCC[C@H]1O,-1.8685859441757202
+O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.4674837589263916
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.2186089754104614
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8355515599250793
+CCCCNc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1,-1.4595993757247925
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917249321937561
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.5133143663406372
+CC1CN(c2ccc(OCc3ccccc3)cc2)CCN1C,-1.3755621910095215
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2073407173156738
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731332302093506
+O=C(Nc1ccccc1-c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1O,-0.9925726056098938
+CCCN1CCN(C(=O)c2ccc(OCC)cc2)CC1,-1.5572186708450317
+Cc1ccc(NC(=O)c2ccc(N3CCNC3=O)cc2)cc1,-1.2098982334136963
+CC[NH+]1CCC(C(=O)Nc2ccccc2S(C)(=O)=O)CC1,-1.5230916738510132
+Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1493085622787476
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8963696360588074
+Cc1ccc(NC(=O)NC[C@H]2CCOC2)c(F)c1,-1.5900061130523682
+Cc1ccc(NC(=O)N2CCC(c3cccnc3)CC2)c(F)c1,-0.9548068046569824
+O=C(N[C@H]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccccc1F,-1.0096229314804077
+C[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.962006688117981
+Oc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-1.008151650428772
+CCc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.4627676010131836
+Cc1ccc(C(=O)NC[C@@](C)(O)c2ccc(O)cc2)cn1,-1.4524993896484375
+O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1,-1.3508394956588745
+C[C@@H]1CCCCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4320446252822876
+Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)n[nH]1,-1.150513768196106
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)no1,-1.3413063287734985
+Fc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Br,-1.284128189086914
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2990145683288574
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1262025833129883
+Cc1ccc2nccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2c1,-0.5000312328338623
+C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1,-1.3009793758392334
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.288884162902832
+O=C(C1CCCOC1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,-0.8182787895202637
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1012204885482788
+Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)s1,-0.6908782720565796
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9808112978935242
+Cc1ccc(CNC(=O)Cc2ccc(C)c(F)c2)s1,-1.1794794797897339
+CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Cl)ccc2O)CC1,-0.8622130751609802
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0107499361038208
+C[C@H]1CN(Cc2ccc(C(=O)O)cc2)CCN1c1ccccc1,-1.3183406591415405
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.467889428138733
+[O-]c1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3070652484893799
+[NH3+]C[C@@H]1CCC[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1,-0.8671059608459473
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Br)c1,-1.0151698589324951
+O=C(Nc1cccc(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O,-1.0859136581420898
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1F,-0.9743372797966003
+CN1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.3670079708099365
+CN1CC[C@@H](NC(=O)COc2ccc(F)cc2)CC1=O,-1.4367436170578003
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9191582798957825
+Cc1cc(I)ccc1NC(=O)C1(c2ccccc2)CCCCC1,-1.073996901512146
+[CH2]c1ccc(NC(=O)NCc2ccccc2)cc1,-1.6701198816299438
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3142452239990234
+O=C(CNC(=O)c1ccccc1)Nc1ccccc1,-1.6695681810379028
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.0760046243667603
+Cc1ccc2c(c1)CN(C(=O)NCc1ccc(F)cc1)C2,-1.1170990467071533
+CC1(C)CC(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1,-1.4734978675842285
+Cc1ccc(C(=O)NCCc2cc(C)cc(O)c2C)cc1,-1.0949002504348755
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2s1,-0.9747290015220642
+CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCF)cc1,-1.539629340171814
+O=C1CCCc2cc(CNCc3cccc(F)c3)ccc21,-1.1086323261260986
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0294731855392456
+COC1CCC(CNC(=O)c2ccc(Cl)o2)CC1,-1.5705193281173706
+Fc1ccc(OCc2ccc(-c3ccccc3)c(I)c2)cc1,-1.2420347929000854
+COc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.425408959388733
+O=C(Nc1ccc(Cl)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8928756713867188
+Cc1nc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8144542574882507
+Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3794766664505005
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.8328197598457336
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.06760835647583
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.436374306678772
+CC(C)(C)C(=O)Nc1ccc(NC(=O)CCC[NH3+])cc1,-1.5576668977737427
+Cc1ncncc1C(=O)N[C@H]1CCCC[C@H]1c1cccc(Cl)c1,-0.6926326751708984
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8821540474891663
+Cc1cccc([C@H]2CCC[C@@H]2NC(=O)c2cc(C)[nH]n2)c1,-1.0258954763412476
+O=C(Nc1ccc(O)cc1)c1ccc(N2CCCC2=O)cc1,-1.272085189819336
+CC(C)(Cc1ccc(OCC2CCCCC2)cc1)C(=O)O,-1.6187756061553955
+O=C(Nc1ncccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9407916069030762
+O=C(c1ccc(F)cc1)N1CC[NH+](CCN2CCCCC2)CC1,-1.3670684099197388
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.4903751611709595
+Cc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.9026871919631958
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0042043924331665
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2Cl)CC1,-0.9127816557884216
+Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.2399429082870483
+O=C(NCC1CCCCC1)N[C@@H]1CCC[C@@H](F)C1,-1.646973967552185
+O=C(Nc1cc(Cl)ccc1O)N1CCN(c2ccccc2)CC1,-1.0289278030395508
+O=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.37948399782180786
+O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)no1,-0.9524202346801758
+Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c2c1,-1.1254874467849731
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.222519874572754
+C[C@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2O)CC[C@H]1c1ccccc1,-1.0884850025177002
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.676130771636963
+Cc1ccccc1CN1CCN(C(=O)c2ccc(N)cc2)CC1,-1.1023863554000854
+Cc1ccccc1CN1CCN(C(=O)c2cccc([O])c2)CC1,-1.1471977233886719
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0756524801254272
+Cc1ccc(OCCCC(=O)Nc2ccnc(C)n2)cc1,-1.4560679197311401
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0128169059753418
+Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-0.9678578972816467
+O=C(NCc1ccc(F)c(F)c1)c1cnn2ccccc12,-0.9748727083206177
+Cc1ccc(-n2c(C)nnc2N(C)Cc2ccccc2)cc1,-1.005744218826294
+O=C(CN1CCSC1=O)Nc1ccc(-c2ccccc2)cc1,-1.3656712770462036
+Cc1cc(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)no1,-1.1551777124404907
+O=C(NC1CC[NH+](C2CCOCC2)CC1)C1CC(F)(F)C1,-1.2172117233276367
+CCc1cccc(C[NH+]2C[C@@H]3CO[C@@H](c4ccccc4)C[C@H]3C2)c1,-1.240148901939392
+COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.4495551586151123
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9685278534889221
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6346880197525024
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cn1,-1.2543554306030273
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1383740901947021
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2662687301635742
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.3271747827529907
+Cc1ccc(CC2CCN(C(=O)c3ncccc3O)CC2)cc1,-1.1831802129745483
+O=C(NCc1ccc2c(c1)CCCC2)c1ccc(I)cn1,-0.9183818697929382
+Cc1cc(C)c(-c2ccccc2)c(OCc2ccccc2)c1,-1.332937240600586
+CC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1,-1.1042721271514893
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846206307411194
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)no1,-0.7622978687286377
+C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.5246325731277466
+O=C(Nc1ccccc1O)c1ccc(O)cc1,-1.6433860063552856
+C[C@H]1CCC[C@@H](C(=O)NCC(=O)N2CCC[C@H](C)C2)C1,-1.2721869945526123
+O=C(NC1(c2ccc(F)cc2)COC1)c1cccc(F)c1,-1.4836525917053223
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898324012756348
+Cc1cccc(N2CCN(C(=O)COc3ccccc3)CC2)c1,-1.4607127904891968
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764878153800964
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0850460529327393
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(I)cc2)CC1,-1.1287174224853516
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4152036905288696
+Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cc1,-1.5312755107879639
+FC(F)(F)c1ccc(-c2noc(Cc3ccccc3)n2)cc1,-1.1753805875778198
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(F)ccc2[nH]1,-0.9645053744316101
+C[C@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@H]1c1ccccc1,-0.950583815574646
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8489094376564026
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300162076950073
+O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2ccccc2)CC1,-0.9207336902618408
+c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1,-1.1747041940689087
+O=C(Nc1ccc(F)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.234736680984497
+O=C(Nc1nccnc1N1CCCCC1)[C@@H]1CC12CCCCC2,-1.001438021659851
+NC(=O)c1cccc(CNC(=O)CCCCCC2CCCCC2)c1,-1.4829667806625366
+O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.5429027080535889
+Cc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)s1,-0.9752140641212463
+O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.008225440979004
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2403143644332886
+N#Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1,-1.562550663948059
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1021168231964111
+O=C(NC1CCN(c2ccccc2Cl)CC1)[C@H]1CCC[C@@H](F)C1,-0.7907914519309998
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2cccc(F)c2)CC1,-0.46168792247772217
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2039682865142822
+COc1ccc(C(C)NCc2ccc(F)cc2)cc1,-1.5250446796417236
+Cc1cc(NC=O)n(-c2ccccc2)n1,-1.7034159898757935
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3258333206176758
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)nc1,-1.0709024667739868
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9897748231887817
+C[NH+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.3687174320220947
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.03681480884552
+CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC1(C)C,-1.4700933694839478
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.8793901801109314
+O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1,-1.1371440887451172
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.890034556388855
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3437285423278809
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.174417495727539
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.374038815498352
+Cc1ncccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.925436794757843
+CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(Br)c2)C1,-1.432748794555664
+O=C(Nc1cccc(F)c1)N1CCCN(c2ccccc2)CC1,-1.3151414394378662
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749868154525757
+O=C(c1ccccc1)N1CCN(Cc2cc(O)ccc2O)CC1,-1.234108567237854
+O=C(NCc1cccc(Cl)c1)[C@H]1CC2(CCCCC2)CO1,-1.5121989250183105
+Cc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1F,-1.2369433641433716
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3451439142227173
+OC1(Nc2ccc(Br)nc2)CC[NH+](CC2CCCCC2)CC1,-1.3548626899719238
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1Br,-0.7356914281845093
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3748881816864014
+O=C(c1ccc(F)cc1F)N1CCC(C[NH+]2CCCCC2)CC1,-1.0002622604370117
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0303016901016235
+Fc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1,-1.1033433675765991
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1O,-0.989393949508667
+C[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3)C[C@H]2C)C1,-1.0536189079284668
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.141408920288086
+Cc1cccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)c1,-1.1565935611724854
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1O,-1.0710660219192505
+CC(C)[NH+]1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1,-1.0444209575653076
+Nc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.3921639919281006
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9560170769691467
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.0612637996673584
+CC(C)[C@H](C)C(=O)Nc1ccccc1CN1CCCCC1,-1.3161859512329102
+CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0901005268096924
+Cc1ccc(CNC(=O)N2Cc3ccc(Cl)cc3C2)cc1,-1.0414468050003052
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2153116464614868
+CCOc1ccc(NC(=O)c2csc(C)n2)cc1,-1.4977452754974365
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1284996271133423
+CC1(N)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4251830577850342
+Cc1csc(NC(=O)[C@@H]2CCC[C@H]2c2cccc(Br)c2)n1,-0.795091986656189
+O=C(Nc1ncccc1O)C1CCN(c2ccc(F)cc2)CC1,-0.9492567777633667
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823118925094604
+Cc1cccc(C2CC[NH+](CC(=O)NCC(C)C)CC2)c1,-1.5390667915344238
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.029444932937622
+Cc1ccc(C(=O)N2CC[NH+](Cc3ncccc3C)CC2)cc1,-1.0266281366348267
+CC(C)(C)C(=O)N1CCC(NC(=O)c2cccs2)CC1,-1.273667812347412
+Cn1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)cn1,-1.2841938734054565
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0057274103164673
+COc1ccc(C(=O)NCC(O)=NC2CCCCCC2)cc1,-1.5182441473007202
+Cc1ccc(C(=O)N2C[C@]3(CC[NH2+]C3)C[C@H]2c2ccc(F)cc2)o1,-0.9834855198860168
+O=C([C@@H]1CCCOC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0127593278884888
+CC[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1,-1.5944466590881348
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0290766954421997
+CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5637109279632568
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2391592264175415
+O=C1CN(c2ccc(NC(=O)C3CCOCC3)cc2)CCN1,-1.5232692956924438
+N[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9098760485649109
+c1ccc(C[NH+]2CC[C@H]3[C@H](C2)C[NH+]3Cc2ccccc2)cc1,-1.496584415435791
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.3604010343551636
+C[NH+]1CCc2cc(C(=O)NCCc3ccc(F)cc3)ccc2C1,-0.9965385794639587
+O=C(NCc1ccc(O)cc1)N1CCOC2(CCCC2)C1,-1.5830070972442627
+O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)on1,-1.1187100410461426
+Nc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1201547384262085
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.849449634552002
+CC(C)CC(=O)N1CCC[C@@H](NC(=O)Cc2ccccc2)C1,-1.4926787614822388
+Cc1ccc(C[C@H](O)CNC(=O)N2CC[NH+](C)CC2)cc1,-1.5695819854736328
+CCc1nc(C(=O)NCc2cccc(F)c2)co1,-1.5445407629013062
+O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1,-1.033815622329712
+Cc1cc(NC(=O)c2cscn2)nn1-c1cccc(Br)c1,-0.8544235229492188
+O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9050548672676086
+O=C(NCC1CCOCC1)Nc1ccc(F)nc1,-1.621751308441162
+Cc1ccc(CNC(=O)CCC[NH+]2CCC(C)CC2)cc1,-1.55510675907135
+C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-0.7981469035148621
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0947185754776
+Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)no1,-0.846300482749939
+O=C(Cc1ccccc1)NCc1ccc2c(c1)OCCO2,-1.5504077672958374
+Cc1ccc(C(=O)NC2CC(c3cccc(F)c3)C2)cc1,-1.174190878868103
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(O)c1,-1.521309733390808
+O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCSC2)CC1,-1.0498883724212646
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3045649528503418
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(Cl)cc1,-0.9026219248771667
+NC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.462602972984314
+C[C@@H]1C[NH+](C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C[C@H](C)O1,-0.6964578628540039
+Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0837007761001587
+Cc1ccc(-c2nc(NCC3CCCCN3C)c(C)s2)cc1,-0.7300435304641724
+O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccc(Cl)cc1,-1.3024864196777344
+Cc1ccc(NC(=O)N2CCN(c3ccccc3N)CC2)cc1,-1.0734288692474365
+COc1ccc(C(C)NCc2ccc(Cl)cc2)cc1,-1.4516493082046509
+C[NH+]1CC[C@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5964819192886353
+O=C(Nc1ccccc1)[C@@H]1CCC(=O)N(c2ccccc2)C1,-1.406816005706787
+Cc1nn2c([nH+]1)CCN(C(=O)NCc1cccc(F)c1)C2,-0.9533168077468872
+CN1CC[NH+](Cc2ccccc2)[C@@H](Cc2ccc(F)cc2)C1,-1.353528618812561
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46132639050483704
+O=C(Nc1ccc([O-])cc1F)c1ccc(N2CCCCC2)cc1,-0.9555014967918396
+O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1,-1.2573034763336182
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1,-0.9557204246520996
+NS(=O)(=O)CCN1CCCCC1,-1.8742650747299194
+O=C(C[NH+]1CCN(c2cccc(O)c2)CC1)NC1CCC1,-1.512621283531189
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)C1,-1.2053006887435913
+Cc1cccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C)o2)c1,-1.3802376985549927
+Cc1cc(NC(=O)C[C@@H]2CCCO2)n(-c2ccccc2)n1,-1.5516077280044556
+Cc1ccc(-c2ccccc2)c(NC(=O)c2ccccc2O)c1,-1.142603874206543
+O=C(CCCOc1ccccc1)Nc1ccc2ccccc2c1,-1.5155888795852661
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.625407099723816
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.055922031402588
+Cc1nc(-c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1,-0.8820785284042358
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.01338791847229
+O=C(N[C@H]1CCC[C@@H](F)C1)N[C@H]1COC2(CCCCC2)C1,-1.5320441722869873
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.036414384841919
+Fc1ccc(CC2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.367813229560852
+Nc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.3946782350540161
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4389281272888184
+O=C(Nc1ccccc1)c1ccc(N2CCCNC2=O)cc1,-1.3530142307281494
+CC1(C)C[C@H]1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9197574853897095
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.440269112586975
+CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4408528804779053
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9836695194244385
+C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2)C1,-1.6145045757293701
+COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6512858867645264
+c1ccc(-c2noc(C3CC[NH+](Cc4cccnc4)CC3)n2)cc1,-1.180564045906067
+O=C(c1ccc(Nc2ccc(Cl)cc2F)cc1)N1CCCCC1,-0.88041090965271
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4465421438217163
+COc1ccc(CNCC(C)c2ccccc2)cc1,-1.6276097297668457
+Cc1cccc(CC(=O)Nc2ccc(C(N)=O)cc2)c1,-1.5150960683822632
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4723544120788574
+O=C([O-])CNC(=O)Cc1csc(-c2ccc(F)cc2)n1,-1.2201217412948608
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567899703979492
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2962636947631836
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.8339099884033203
+CCC(=O)N1CCN(CC(=O)c2ccc(C(C)C)cc2)CC1,-1.133521318435669
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.2339410781860352
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9612348079681396
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)nc2)cc1,-1.4572757482528687
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700013637542725
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1354564428329468
+Cc1ccc(Br)cc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9958930611610413
+O=C(N[C@@H]1CC12CCC2)N1CC[C@H](c2ccc(F)cc2)C1,-1.1301525831222534
+Nc1cc(F)ccc1C(=O)NC1CCC(c2ccccc2)CC1,-0.9626120924949646
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9459114074707031
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.596300721168518
+CC[NH+]1CCC(CNC(=O)N2CCCCC[C@@H]2C)CC1,-1.4616237878799438
+Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2[nH]1,-1.0678845643997192
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4646567106246948
+C[C@@H]1C[C@H](Cc2ccc(Cl)cc2)C[NH+]1Cc1ccccc1Br,-0.9951463937759399
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2790147066116333
+CCc1nc(C(=O)OCc2ccc(Cl)cc2)cs1,-1.4198373556137085
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.278243064880371
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1383024454116821
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0877243280410767
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700021982192993
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.296766996383667
+C[C@@H]1CN(C(=O)C[NH+](C)Cc2cccc(F)c2)C[C@H](C)O1,-1.4778518676757812
+Cc1[nH]ncc1C(=O)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.7856379151344299
+O=C(NC1CCN(c2cccc(Br)c2)CC1)c1ccccc1F,-0.8731070756912231
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3347333669662476
+O=C(Nc1ccc(Cl)cc1F)c1cccc(N2CCCCC2)c1,-0.8860400915145874
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(O)c2)CC1,-1.114156723022461
+CC(C)(C)NC(=O)N1CCN(c2cc(F)ccc2F)CC1,-0.8519021272659302
+CC(=O)N1CCC[C@@](C)(C(=O)Nc2cccc(Cl)c2)C1,-1.3594095706939697
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2835105657577515
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9259511828422546
+Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1022897958755493
+COc1ccccc1N=C(O)CNC(=O)c1ccc(Br)cc1,-1.2176589965820312
+CCC(CC)C(=O)NCC(=O)Nc1ccc(F)c(N)c1,-1.1168012619018555
+Cc1ccccc1NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-1.1051058769226074
+O=C(NC1CCC(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8040547370910645
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9846323728561401
+CC1(C)CCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-1.0182075500488281
+C[C@@H](CC(=O)NCc1ccc(Br)cc1)Cc1ccccc1,-1.4770125150680542
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.2279136180877686
+O=C(Nc1cccc(Br)c1)N1CCC[C@H](c2ccccc2F)C1,-0.8535357117652893
+O=C(Cc1ccc(F)cc1)NC[C@@H]1CC[C@@H]2CCC[NH+]2C1,-1.3753178119659424
+CC[NH+]1CCC[C@@H](CNC(=O)c2cc(Br)no2)C1,-1.3315982818603516
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3N)CC2)cc1,-1.1071523427963257
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6421595811843872
+Nc1ccc(CCNC(=O)C2CCCCC2)cc1,-1.6283998489379883
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)C(C)C2)cc1F,-0.565118670463562
+CC(C)(C)c1cccnc1NC(=O)N1CC[S+]([O-])CC1,-1.066092848777771
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0953131914138794
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0985400676727295
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.361484169960022
+CC1(C)CC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1,-1.3212414979934692
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.08319890499115
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1543846130371094
+O=C(NC1CCOCC1)c1ccc(N2CC[S+]([O-])CC2)cc1,-1.3418488502502441
+C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cccc(F)c2)CC1,-0.9292411804199219
+COc1ccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1,-1.1088939905166626
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0096435546875
+CC(C)CCc1ccc(Br)cc1,-1.720539927482605
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-0.9689234495162964
+C[C@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)C1,-1.3115917444229126
+Cc1cc(Cl)nc(Nc2ccc(Cc3ccccc3)cc2)n1,-0.9923768639564514
+O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1cccc(F)c1,-1.4168956279754639
+Cc1cc(C)c(C(=O)Nc2ccc(N(C)C)cc2)cc1Br,-0.7225474715232849
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9971678256988525
+Fc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1259196996688843
+Cc1c(NCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1,-0.7684510350227356
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.124284029006958
+O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5404964685440063
+O=C(NCc1ccc2nc[nH]c2c1)c1ccc(Cl)c(F)c1,-0.9195568561553955
+COc1ccc(N2CCN(C(=O)c3cccc(N)c3)CC2)cc1,-1.1141165494918823
+O=C(Nc1ccc(Br)cc1)N1CCC[NH+](C2CCOCC2)CC1,-1.2553008794784546
+Cc1cc(Br)ccc1C(=O)N[C@@H]1CCOC[C@H]1c1ccccc1,-0.9768467545509338
+c1ccc2cc(CNc3ccc(N4CCOCC4)cc3)ccc2c1,-1.28499174118042
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3938710689544678
+O=C(NCc1ccccc1)N1CCC=C(C2CCOCC2)C1,-1.5355292558670044
+Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1,-0.9565879106521606
+CCOc1ccc(C(=O)NCCC(C)(C)C)cc1,-1.6509506702423096
+CC(C)COc1ccc(CNC(C)(C)C)cc1,-1.6762033700942993
+CCCCc1nc(C(=O)N2CCN(c3ccc(C)s3)CC2)cs1,-0.7602336406707764
+O=CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1,-1.6743557453155518
+CC1(O)CCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1,-1.3959935903549194
+Cc1cc(O)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-1.100936770439148
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.514351487159729
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.1007591485977173
+O=C(NC1CCCCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.837657630443573
+O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.9188852310180664
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9688689112663269
+O=C(Nc1ccc(F)cc1)c1ccccc1-c1ccc(F)cc1,-1.0277957916259766
+COc1ccc(-c2nnc(S)n2Cc2ccc(Br)cc2)cc1,-0.8018681406974792
+OC(CNCc1ccccc1)=Nc1nccn1-c1ccccc1,-1.4868733882904053
+CC(C)Oc1ccc(CNC2CCCCC2C)cc1,-1.5743482112884521
+Brc1cccc(CNc2ccc(Br)cc2-c2ccccc2)c1,-1.1059433221817017
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.720675528049469
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.9816583395004272
+C[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.1568793058395386
+CC(C)[NH+]1CCN(C(=O)[C@@H](C)Nc2ccc(F)cc2)CC1,-1.127709984779358
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0206019878387451
+Cc1cccc(Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1,-1.1259510517120361
+O=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)cc1,-1.2303944826126099
+CC(C)C(C)(C)NC(=O)c1ccc(N2CCOCC2)cc1,-1.4736312627792358
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-1.013826608657837
+Cc1cnc2cccc(C(=O)N(C)CC3CCCCCC3)c2n1,-0.8014129996299744
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1899393796920776
+O=C(N[C@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.417672872543335
+C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.693530559539795
+CCOc1ccc(NC(=O)c2cn(C)cn2)cc1,-1.6681450605392456
+Cn1cc(CCNc2ccccc2-c2ccc(Cl)cc2)cn1,-1.2311937808990479
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0807706117630005
+CCC(C)(C(=O)NCc1ccc(O)cc1)c1ccccc1,-1.5376447439193726
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.531270980834961
+O=C(CCc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.3251920938491821
+O=C(Nc1ccc(-c2nnco2)cc1)N1CC2CCCCC2C1,-0.9807766079902649
+C[NH+]1CC[C@H](NC(=O)N2CC[C@@](O)(c3ccccc3)C2)C1,-1.5457302331924438
+Cc1cc(CC(=O)NCC2CC3(CCCC3)C2)n[nH]1,-1.5773566961288452
+COc1ccc(CNC(=O)c2c[nH]c(Br)c2)cc1,-1.5184515714645386
+Nn1c(SCc2ccccc2)nnc1-c1ccc(F)c(Cl)c1,-0.7333637475967407
+C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.0219675302505493
+Cc1cc(F)ccc1N1CCC(NC(=O)c2ccccn2)CC1,-0.9415767192840576
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0707345008850098
+CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1924723386764526
+N#Cc1ccc(N2CC[C@@H](C(=O)NC3CCCCC3)C2)cc1,-1.2269752025604248
+CC(C)(O)C[NH+]1CCC[C@@H](NC(=O)c2ccc(Cl)nc2)C1,-1.2003319263458252
+Cc1ncc(C(=O)N2CCN(CCCc3ccccc3)CC2)[nH]1,-1.2362521886825562
+Cc1ccc(OC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.5320227146148682
+Cc1ccc(CNC(=O)N2CCC3(CCCO3)CC2)cn1,-1.5287165641784668
+O=C(N[C@H]1CCC[C@@H]([C@@H]2CCCO2)C1)c1cc2ccccc2o1,-1.1973460912704468
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.892835795879364
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975878357887268
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2970563173294067
+O=C(NCCCO)Nc1ccc(C2CCCCC2)cc1,-1.6032179594039917
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.036535382270813
+CCC[C@H](C)C(=O)NCc1nc(-c2ccc(Br)cc2)no1,-1.031317949295044
+C[C@H](C(=O)N1CCN(c2nc(O)c3ccccc3n2)CC1)c1ccco1,-0.586874783039093
+Cn1ccc(NC(=O)c2cc(-c3cccc(F)c3)on2)n1,-1.0971007347106934
+O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)OC2,-1.5715935230255127
+O=C(Nc1ccc(-c2ncc[nH]2)cc1)C(=O)c1ccccc1,-1.383828043937683
+O=C(NC1CCC(O)(c2ccc(Cl)cc2)CC1)C1CCCCC1,-1.2302613258361816
+CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3401633501052856
+O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1ccccc1Cl,-0.8796049952507019
+C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1,-0.9721513986587524
+O=C1COC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1,-1.2702504396438599
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4247866868972778
+CC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1,-1.3630961179733276
+O=C(CN=C(O)c1ccc(Br)cc1)Nc1ccc(-c2nn[nH]n2)cc1,-0.7710528373718262
+O=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2F)CC1,-0.9137217402458191
+C[NH+]1CCC(c2ccc(F)cc2)CC1,-1.7046743631362915
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9496490359306335
+O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCN(c2ccccc2)C1,-0.8003277778625488
+Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1,-1.07297682762146
+CS(=O)(=O)CNC(=O)Cc1ccc(N2CCSCC2)cc1,-1.49579656124115
+O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.4090402126312256
+CC(C)(C)[C@H](O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9290504455566406
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-1.0373398065567017
+CC1(c2ccc(F)cc2)CCN(C(=O)Cc2ccc(F)cc2)CC1,-0.9866188764572144
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390084266662598
+Cc1cccnc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0358535051345825
+O=C(CSc1ccccc1)OCc1ccccc1,-1.704514741897583
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1756254434585571
+Cc1cc(CNC(=O)[C@H]2C[C@@H]2C2CCOCC2)ccc1O,-1.252537488937378
+CC[NH+]1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.059729814529419
+O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(=O)[nH]c1,-1.3276357650756836
+CN1CC[NH+](Cc2ccccc2)[C@@H](Cc2ccc(F)cc2)C1,-1.5077377557754517
+O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(F)cc1O,-1.220557689666748
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-0.9931654334068298
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.2146587371826172
+CC1(C)C[C@H](NC(=O)c2ccccc2C(=O)[O-])CCO1,-1.5764621496200562
+Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cn1,-1.3094274997711182
+C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.297195553779602
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9783399105072021
+C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3219786882400513
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.6129189729690552
+Nc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.021116018295288
+Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)cc1C,-1.0340211391448975
+C[NH+]1CCN(CCNC(=O)CCc2cccc(F)c2)CC1,-1.5292121171951294
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9887937307357788
+Fc1ccc(NCc2ccc(N3CCCCC3)nc2)cc1F,-0.97947096824646
+CC(C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCOCC1,-1.2332922220230103
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0154463052749634
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617196917533875
+CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1,-1.2384384870529175
+O=C(Nc1ccccc1O)N1CCN(c2cccc(F)c2)CC1,-1.1019749641418457
+O=C(C1CCC(c2ccccc2)CC1)N1CC[C@H](O)C2(CCCCC2)C1,-1.0073498487472534
+Cc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)n[nH]1,-1.0163068771362305
+O=C(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2)CC1,-1.2779160737991333
+O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2643502950668335
+Cc1cc(C(=O)NC[C@@H]2CC23CCOCC3)c(C)nc1C,-0.8808103799819946
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.168031096458435
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9996170401573181
+O=C(c1cccs1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1,-0.9439801573753357
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4238958358764648
+O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9407570362091064
+Cc1nc(N2CCN(C(=O)COc3ccccc3Br)CC2)cs1,-0.7932750582695007
+c1ccc(-c2nc(CN3CCC[C@H](c4ccccc4)C3)no2)cc1,-1.207535743713379
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653841257095337
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5462101697921753
+O=C(c1ccc(O)cc1)N1CCC[C@@H](CCc2ccccc2)C1,-1.4234445095062256
+c1ccc(C[C@H]2CC[NH+](Cc3ccc4c(c3)OCO4)C2)cc1,-1.500007152557373
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531979084014893
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0303525924682617
+O=CNCc1ccc(F)cc1,-1.9538193941116333
+O=C(NCc1ccc(Cl)nc1)N1CCC2(CCOCC2)C1,-1.4110641479492188
+O=C(NCC1CCOC2(CCCC2)C1)c1ccc(Cl)nc1,-1.3942316770553589
+NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0546400547027588
+Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]1,-1.1928681135177612
+O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1Cc1ccccc1,-1.1897900104522705
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)no3)n2)cc1,-1.3108456134796143
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9798407554626465
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1202898025512695
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3110194206237793
+O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6621065139770508
+O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2s1,-1.2159582376480103
+CC[C@]1(O)CCN(C(=O)NCc2ccccc2)C1,-1.6988269090652466
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0235037803649902
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1394646167755127
+Cc1nc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)no1,-1.1279703378677368
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0866057872772217
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.9816003441810608
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0723536014556885
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2202372550964355
+[NH3+][C@H](CC(=O)NCc1ccc(Br)cc1)c1cccc(F)c1,-1.188779354095459
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([O-])cc1,-1.2102311849594116
+O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1ccc(Cl)cc1,-0.8791427612304688
+O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.931760311126709
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(S)cc1,-1.384644865989685
+CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C1=O,-0.7420556545257568
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0093019008636475
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3079688549041748
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1,-1.1123102903366089
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2108687162399292
+Cc1cc(N)ccc1C(=O)NC[C@@H](O)c1ccc(F)cc1,-1.0749597549438477
+CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C1=O,-0.844275176525116
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1,-1.2146837711334229
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0646309852600098
+O=C1CN(c2ccc(NC(=O)c3ccccc3)cc2)CCN1,-1.401186466217041
+O=C(COc1ccccc1)N1CC[C@H](C(O)=Nc2ccc(F)cc2)C1,-1.2008960247039795
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(I)c1,-0.901263415813446
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3578014373779297
+O=C(N[C@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0433659553527832
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2135412693023682
+CC1=C(C)CN(C(=O)N2CCN(C(=O)C(C)(F)F)CC2)CC1,-0.6267708539962769
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.036812663078308
+O=CNc1ccc(N2CCOC2=O)cc1,-1.746894359588623
+O=C(Nc1ccccc1)C(=O)N1CCC[C@H](c2cccs2)C1,-1.3698979616165161
+Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)c(C)c1,-1.0389797687530518
+O=C(O)c1ccc(C(=O)NCc2ccccc2)cc1,-1.6128582954406738
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)nc1,-1.0234332084655762
+C[C@@H](C[C@H](O)CNC(=O)Cc1ccccc1F)c1ccccc1,-1.4239064455032349
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n1,-0.9529545903205872
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2875101566314697
+NS(=O)(=O)c1ccccc1CNCc1ccc(Br)cc1,-1.3743741512298584
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3847898244857788
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0392401218414307
+Cc1cccc(NC(=O)[C@@H]2CCCC[NH+]2CC(F)(F)F)c1,-1.097428560256958
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccn2)CC1,-0.9459567666053772
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8940815329551697
+CC[NH+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.0498425960540771
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0268633365631104
+O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCN(c2ccccc2)C1,-1.5153636932373047
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9679932594299316
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9337790608406067
+COc1ccc(CNC(=O)CN=C(O)C2CCCCC2)cc1,-1.5255392789840698
+C[C@@](O)(CNC(=O)c1ccc(I)cc1)Cc1ccccc1,-1.4385898113250732
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4785645008087158
+COc1ccc(CNC(=O)[C@H]2CC[C@H](F)C2)cc1,-1.5884039402008057
+O=C(COc1ccccc1)N[C@@H]1CCC2(CC[NH2+]CC2)C1,-1.6164408922195435
+C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2898240089416504
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043954133987427
+CC(C)[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1,-1.5203429460525513
+Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.27467942237854
+CC(O)=Nc1cccc([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1,-0.9428769946098328
+CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0574383735656738
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.031801462173462
+c1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1,-1.250692367553711
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.271776795387268
+CCc1nc(CNC(=O)c2ccc(Br)cc2)cs1,-1.1557505130767822
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(C)s2)cn1,-1.0736143589019775
+COc1ccc(CN2CCN(C(=O)C(C)(C)O)CC2)cc1,-1.5258656740188599
+O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(Cl)cc1Cl,-0.9045981168746948
+Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1F,-1.3861361742019653
+Cc1cc(C(=O)Nc2ccc(-c3noc(C)n3)cc2)n[nH]1,-1.0576204061508179
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4600766897201538
+Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1,-1.0857642889022827
+O=C(NCCc1ccc(Br)cc1)N1CCCC2(CCC2)C1,-1.3857998847961426
+O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ccccc2Cl)C1,-1.0096672773361206
+Cc1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.2898198366165161
+Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1O,-1.4608126878738403
+Cc1ccc(C)c(-c2ccc(C)c(C)c2)c1,-1.4309711456298828
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568348169326782
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4053822755813599
+O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.3539460897445679
+O=C(N[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.9659655094146729
+C[NH+]1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.274294376373291
+c1ccc(Cn2nnnc2-c2ccc(-c3ccccc3)cc2)cc1,-1.0980830192565918
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.2046990394592285
+CC(C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1,-1.4933637380599976
+CC1(C)CCC(CNC=O)CC1,-1.8877438306808472
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9721303582191467
+O=C(Nc1ccc(F)nc1)[C@H]1C[C@H](c2ccc(Cl)cc2)C1,-0.9413106441497803
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,-1.1232750415802002
+C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9063264727592468
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3685598373413086
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.2470710277557373
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9593594670295715
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4661310911178589
+O=C(c1ccc(F)cc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,-0.5779118537902832
+CC(=O)Oc1ccc(CN)cc1,-1.8706159591674805
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3731465339660645
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5311986207962036
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0605257749557495
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-0.9760810136795044
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5758689641952515
+O=C(c1ncccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8530105948448181
+Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1,-1.1220550537109375
+C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.1756138801574707
+NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)s1,-1.535971760749817
+O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.005350947380066
+Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc2c(c1)CCCC2,-0.6920957565307617
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9886496663093567
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.138992428779602
+C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2cccc(O)c2)nn1,-0.8967958688735962
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2163861989974976
+CC[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(Br)cc1,-1.1972991228103638
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c1,-1.5499475002288818
+c1ccc(CN2CCN(c3ccccc3)CC2)cc1,-1.644450068473816
+Cc1cccnc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0034922361373901
+O=C(NCc1ccc(F)cc1)c1c(Cl)nc2ccccn12,-0.8309949040412903
+Cc1ccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)c(C)c1,-1.139503836631775
+O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8200281262397766
+Cc1ccc(-c2ccc(NCc3ccccc3)cc2)cc1N,-1.27760910987854
+CCc1ccc(OCCOc2ccc(C)cc2)cc1,-1.6985300779342651
+Cc1cc(F)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.1536691188812256
+Cc1ccc(Cl)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-0.9601435661315918
+CC[C@H](C)N=C(O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1,-1.101413607597351
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9378937482833862
+Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F,-0.7883806228637695
+c1ccc(C[NH+]2CCO[C@H](C[NH+]3CCC4(CCC4)C3)C2)cc1,-1.5757215023040771
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1O,-0.9986125826835632
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1O,-1.1143317222595215
+C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3519244194030762
+C[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1,-1.1336568593978882
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4245303869247437
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)nn1,-0.8829348087310791
+Cc1ccc(F)c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1,-1.114778995513916
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114668369293213
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382956504821777
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1,-0.7261108160018921
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.138284683227539
+O=C(Nc1nc(-c2ccccc2)no1)c1cc2ccccc2s1,-0.9982423782348633
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413226127624512
+CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5837198495864868
+CC(C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1)c1ccccc1,-0.4209693372249603
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.1056292057037354
+CC[NH+]1CCC(CNC(=O)c2ccc(Br)s2)CC1,-1.291050672531128
+COc1ccc(OCC(=O)N2CCc3ccccc3CC2)cc1,-1.2739251852035522
+C[NH+]1CC[C@@H](CNC(=O)c2ccc3ccc(Cl)cc3n2)C1,-0.9566962718963623
+O=C1NCCN(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1,-1.3647807836532593
+Cc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cn1,-1.4505095481872559
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCOCC2,-1.4836046695709229
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.382819414138794
+Oc1ccc(C2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2336922883987427
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0230737924575806
+O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.5212644338607788
+Cc1nc(-c2ccc(F)cc2)ncc1NC(=O)c1ccccc1,-0.8439946174621582
+C[C@@H]1COCCN1c1ccc(NC(=O)Cc2ccccc2)cc1,-1.4811137914657593
+Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(F)c1,-1.0544531345367432
+O=C(Nc1nnc(-c2ccccc2)s1)C(=O)N1CCCCC1,-1.071351408958435
+Nc1ccc(NC(=O)NCC2CCCCC2)cn1,-1.6080628633499146
+C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2)C[C@H]1C,-1.3941993713378906
+O=C(CC1CCC1)N1CCN(Cc2cccc(O)c2)CC1,-1.5216071605682373
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0294893980026245
+Oc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.5239038467407227
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0570743083953857
+O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCCC(=O)N2,-1.0017974376678467
+NCc1ccccc1,-2.069972276687622
+C[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)C1,-1.0737353563308716
+FC(F)(F)c1ccc(Nc2cccc(-c3nn[n-]n3)c2)cn1,-0.8065783381462097
+Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CCCCCC3)C2)c(Br)c1,-0.8765427470207214
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.3402751684188843
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3982484340667725
+O=C(Nc1ccc(Cl)cc1O)c1ccc(C(F)(F)F)cc1,-0.8927295804023743
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.34495210647583
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1O,-1.4235682487487793
+COc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC2)cc1,-1.5770666599273682
+CC(C)C[NH+]1CCC(NC(=O)Cc2ccc(Br)nc2)CC1,-1.0675268173217773
+Cc1noc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n1,-1.2135398387908936
+Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9395245313644409
+Cc1ccccc1[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1,-1.1589053869247437
+CCn1cc(C(=O)NCc2ccc(C)cc2)cn1,-1.599937915802002
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1181683540344238
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7932934761047363
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.976955771446228
+CC(C)(C)c1ccc(NC(=O)CN2CCCC2=O)cc1,-1.422359824180603
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3673956394195557
+CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2,-1.1409211158752441
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741616487503052
+COC1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2)CC1,-1.1672484874725342
+O=C([C@H]1CCC[C@@H]1c1cccs1)N1CC[C@H](c2ccccc2)C1,-1.1698273420333862
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146793603897095
+O=C(Nc1ccc(Br)cc1)N1CCC[C@H](CC(F)(F)F)C1,-1.0665855407714844
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3592467308044434
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111616373062134
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3767216205596924
+O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5114237070083618
+C[NH+]1CCN(CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.2417075634002686
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.25025475025177
+CC1(C)CC[NH+](CCNC(=O)c2ccc(F)cc2F)CC1,-1.0181440114974976
+NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3027957677841187
+Cc1cc(NCc2ccccc2)nc(-c2ccc(F)cc2)n1,-1.1325651407241821
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-0.9981368184089661
+Cc1cc(C)c(C(=O)NCc2ccc(Br)cc2C)cc1C,-0.6606239080429077
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.9527822136878967
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.278765320777893
+COc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1,-1.6642345190048218
+Nc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1,-0.5717412829399109
+Fc1ccc(-c2nccs2)cc1,-1.7551530599594116
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.489006757736206
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.3411608934402466
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.3204231262207031
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5310415625572205
+Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.3436089754104614
+Cc1ccc(CNC(=O)N2CCC3(CCCO3)CC2)cn1,-1.5323461294174194
+Cc1nc2c(s1)CN(C(=O)NC[C@@H]1CCC[NH+](C)C1)CC2,-0.7031925320625305
+Cc1ccc(-c2nnc(C[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)o2)cc1,-1.013382911682129
+CC(C)[NH+]1CC[C@H](C(=O)NCc2ccccc2)C1,-1.6124095916748047
+O=C(C1CCN(C(O)=NC2CCC2)CC1)N1CCC(c2ccccc2)CC1,-0.8504481911659241
+Oc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)n1,-1.0374464988708496
+[NH3+]c1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.4169137477874756
+O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.1593774557113647
+Cc1cc(N[C@H]2CCC[NH+](Cc3ccccc3)C2)nc(C)n1,-1.1079181432724
+O=C(N[C@@H]1CCN(C2CCCCC2)CC1=O)C1CCCCC1,-1.2034759521484375
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2136975526809692
+O=C(NCc1ccc(Br)cc1O)[C@@H]1CCCC2(CCC2)C1,-1.1252583265304565
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)s2)CC1,-1.075502634048462
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0969414710998535
+CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.9888002872467041
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.2841699123382568
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.0110633373260498
+Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.1482874155044556
+CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Br)cn1,-1.26571786403656
+O=C(N[C@H]1CC[C@@H](O)CC1)c1ccc(N2CCCC2=O)cc1,-1.2261581420898438
+O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.0394772291183472
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2[nH]1,-0.9683136343955994
+Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(N)cc1,-1.1171282529830933
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2005244493484497
+O=C(NC1CCOCC1)c1ccc(-c2ccc(O)cc2F)cc1,-1.105809211730957
+Cc1cnc(NC(=O)C[NH+]2CCC[C@@H]2c2ccccc2)o1,-1.51800537109375
+O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1,-1.4585758447647095
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2272894382476807
+Cc1ccc(CNc2nc(N)cc(-c3ccccc3)n2)cc1,-0.9948746562004089
+Cc1cccnc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.991669774055481
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.2175229787826538
+O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(F)cc1F,-0.8969166278839111
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cn1,-1.0051056146621704
+O=C(Cc1ccc(F)cc1)NC[C@@H]1C[C@H](C2CC2)CCO1,-1.450595736503601
+Brc1ccccc1[C@H]1COCCN1,-1.6841495037078857
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9025821685791016
+C[C@@H]1C[NH+](C)CCN1C(=O)NC1CCN(c2ccccc2)CC1,-1.1052799224853516
+Cc1cc(NC(=O)c2cc(C)on2)n(-c2ccccc2)n1,-1.17330801486969
+CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,-1.2321656942367554
+Cc1ccccc1C(=O)N[C@@H]1CCOC[C@@H]1c1ccc(F)cc1,-1.2018110752105713
+Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9654465913772583
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3468064069747925
+CC(C)Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1,-1.1513103246688843
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2289522886276245
+Cc1cnccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0307186841964722
+O=C(C(=O)N1CCc2ccccc2C1)N1CCN(c2ccccc2F)CC1,-0.5863423347473145
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9334996938705444
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(O)cc1F,-1.0893808603286743
+COc1ccc(CNC(=O)c2ccsc2C)cc1,-1.5635331869125366
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0306694507598877
+Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5761919021606445
+Cc1nc(C2CCN(C(=O)N[C@H]3CC[C@H](C)C3)CC2)no1,-1.0207277536392212
+CN1CCN(Cc2ccc(I)cc2)C(Cc2ccccc2)C1,-1.2216874361038208
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.0181411504745483
+Nc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cc1,-1.1487650871276855
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5482680797576904
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846728086471558
+Fc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2713512182235718
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6900321245193481
+Cc1nc2cccc(C(=O)NCc3ccc(O)cc3)c2[nH]1,-1.0002851486206055
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1,-1.312054991722107
+CC(C)CC(=O)NCC1CCN(c2cccc(N)c2)CC1,-1.4607293605804443
+CC(C)(C)CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-1.452770709991455
+CC(C)C[C@H](O)CCNC(=O)N1CCC([C@H]2CCCCO2)CC1,-1.4136381149291992
+Cc1ccccc1NC(=O)C1CCN(c2ccc(N)cc2)CC1,-1.0344932079315186
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.2004177570343018
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5149320363998413
+Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.0245506763458252
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.733941376209259
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0559136867523193
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1F,-0.9629331827163696
+O=C(Nc1nc2ccccc2s1)N1CC[C@H](c2ccccc2)C1,-0.9293774366378784
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.028473973274231
+Cc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1,-1.4860119819641113
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.975690484046936
+Cc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.4243100881576538
+O=C([O-])C1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1,-1.258542776107788
+O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.065687656402588
+Cc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C,-1.529364824295044
+O=C(Nc1ccc(F)cc1)c1ccccc1/N=N/c1ccc([O-])cc1,-0.9874131679534912
+Fc1ccc(NCc2ccc(-c3ccc(F)cc3)nc2)cc1,-1.126899242401123
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1646281480789185
+Clc1ccc(NCc2ccc(-c3ccc(Cl)cc3)nc2)cc1,-1.104988932609558
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2cccc(Cl)c2)CC1,-0.8808539509773254
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.250287652015686
+CN1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.5252969861030579
+O=C(CSC1CCOCC1)NCc1ccc(Br)s1,-1.5133332014083862
+Cc1cc(CNC(=O)N2CCOC3(CCOCC3)C2)ns1,-1.5082522630691528
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.2903053760528564
+C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1,-1.4667755365371704
+Cc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2753266096115112
+COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.5757465362548828
+CNC(=O)C1CCCCC1,-1.9373337030410767
+O=C(Nc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1,-0.8612446784973145
+Cc1cc2cccc(NC(=O)Nc3ccc(F)cc3)c2o1,-1.195052146911621
+CCCNC(=O)Nc1cc(N2CCOCC2)ccc1C,-1.5511481761932373
+O=C(C[NH+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(Br)cc1,-1.1991958618164062
+O=C(NC[C@H]1CC12CCOCC2)NC1CCCC1,-1.6774557828903198
+CC[NH+]1CCC(CNC(=O)c2ccc(Br)s2)CC1,-1.4080694913864136
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4326335191726685
+NS(=O)(=O)c1ccc(C(=O)NCC2CCCCC2)o1,-1.572898268699646
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0273122787475586
+O=C1CN(Cc2ccc(O)cc2)CN1Cc1ccccc1,-1.5476782321929932
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.0609971284866333
+Nc1cccc(NC(=O)c2ccccc2F)c1-c1ccccc1,-0.9705632925033569
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cn1,-1.0049993991851807
+c1ccc(-c2ncsc2C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.130501627922058
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8958832025527954
+O=C(Nc1ccc(F)cc1Cl)N1CCNC[C@@H]1c1ccccc1,-0.8258830904960632
+Cc1ccc(Cl)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1,-0.8805064558982849
+O=C(C1CCCCC1)N1CCCN(Cc2cccc(F)c2)CC1,-1.2042993307113647
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCOc4ccccc43)cc2)CC1,-0.9197698831558228
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0273913145065308
+OC(CNCc1ccc(-c2ccccc2)cc1)=NC1CCOC1,-1.5066615343093872
+CC(C)CCC(=O)N1CCOC[C@@H]1C(=O)NC1CCCCC1,-1.4339724779129028
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0314242839813232
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2o1,-1.1094260215759277
+Cc1ccccc1N1CCC(NC(=O)c2ccc(S)cc2)CC1,-1.0542737245559692
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0789767503738403
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.719585657119751
+Cc1ccc(-n2ncc(C(=O)Nc3ccccc3N)c2C)cc1,-0.8010550737380981
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1737744808197021
+Cc1cccnc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.8479880690574646
+Cc1nc(C)c(N2CCC(NC(=O)c3ccccc3Br)CC2)s1,-0.5602025985717773
+CC(C)(O)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.612345814704895
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8301584124565125
+CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9520328044891357
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9288386106491089
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8860540390014648
+O=C(c1ccc(F)cc1F)N1CCC[C@H](Cc2ccccc2)C1,-1.0652213096618652
+CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1,-1.1241953372955322
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9007472991943359
+COc1ccc(CNC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.6694445610046387
+c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)s2)cc1,-1.029333472251892
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852901935577393
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3239953517913818
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1022223234176636
+O=C(Nc1cc(F)ccc1Br)N1CCC([NH+]2CCCCC2)CC1,-0.791605532169342
+c1ccc(N2CCC(CN3CCC(c4nn[n-]n4)CC3)CC2)cc1,-1.0598219633102417
+[NH3+][C@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.1764370203018188
+O=C(NCc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1,-1.109670639038086
+CC1CN(C(=O)c2ccc(N3CC(C)OC(C)C3)nc2)CC(C)O1,-0.926358163356781
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4302951097488403
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2890688180923462
+C[C@@H]1OCC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H]1C,-1.2145841121673584
+CCC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1,-0.882179856300354
+Cc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1,-1.2403984069824219
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3539412021636963
+O=C(NC1CCC(c2ccc(F)cc2F)CC1)[C@H]1CCCOC1,-0.9388937950134277
+O=C(c1ccccc1F)N1CCCC[C@H]1Cc1ccc(Cl)cc1,-0.9092799425125122
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0377910137176514
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2108433246612549
+Clc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.2167463302612305
+O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3537323474884033
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2[nH]1,-0.9462218880653381
+C[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3581852912902832
+CCC1CC(NC(=O)NC2CC(C)(C)C2)C1,-1.660527229309082
+O=C(NC1CCN(c2ccccc2)CC1)C1CC[S+]([O-])CC1,-1.2549562454223633
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172834157943726
+COc1ccc(NC(=O)C(=O)N2CCC(C)(C)C2)cc1,-1.5411263704299927
+Cc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3=O)C2)c(C)c1,-0.9332636594772339
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1739404201507568
+O=C(c1ccc(Cl)cc1Cl)C1(Cc2ccccc2)CCOCC1,-1.1012074947357178
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]12)c1ccc(N2CCOCC2)cc1,-1.1373322010040283
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2425662279129028
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3550186157226562
+CC(C)CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1,-1.0436906814575195
+Cc1nc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)no1,-1.0306328535079956
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(I)c1,-0.9760594964027405
+O=C(N[C@H]1CCCC[C@@H]1F)N1CCC(c2ccc(O)cc2)CC1,-0.9935428500175476
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.013838529586792
+O=C(C[NH+]1CCCC1)Nc1ccn(-c2ccc(Cl)cc2)n1,-1.263921856880188
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0649019479751587
+CN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043377161026
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846135973930359
+CC(C)Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4083365201950073
+CC1(C)CCC[C@@H]1NC(=O)NCC1CCCCC1,-1.6697962284088135
+O=C(CCc1nc(C2CCCCC2)no1)Nc1cccc(Cl)c1,-1.054772973060608
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0366544723510742
+c1ccc(-c2noc(CN3CCC(c4ccccc4)CC3)n2)cc1,-1.3585758209228516
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1O,-0.93924480676651
+O=C(CC1CCOCC1)N[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.439522385597229
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431975364685059
+O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(O)c1,-1.2927868366241455
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.9440779089927673
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2925978899002075
+O=C(NCCc1ccc(Br)cc1)N1CCOC2(CCC2)C1,-1.4678329229354858
+O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1F,-0.8221827745437622
+Cn1cc(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cn1,-1.019950270652771
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3693772554397583
+Fc1ccc(-c2nc(COc3ccc(F)cc3F)no2)cc1,-0.9868893623352051
+O=C(c1ccc(Cl)nc1)N1CCN(CCc2ccccc2)CC1,-1.264100432395935
+O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8627247214317322
+COc1ccc(CNC(=O)[C@@H]2CCCCC[NH+]2C)cc1,-1.5503034591674805
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1268984079360962
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.106025218963623
+COc1ccc(C(=O)NCc2coc(C)n2)cc1,-1.6051983833312988
+c1ccc(COC2CCNCC2)cc1,-1.850342869758606
+NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cn1,-0.959417998790741
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2708255052566528
+Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(Cl)c1,-1.0571215152740479
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.576379418373108
+O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.3887372016906738
+C[C@H]1COCC[NH+](C2CCN(C(=O)NC(C)(C)C)CC2)C1,-1.3221279382705688
+O=C(Nc1ccc(N2CCCC2)cc1)N1CCc2ccccc21,-1.2316224575042725
+c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1,-1.1171042919158936
+C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1,-1.5908644199371338
+C[C@H]1CN(C)CC[NH+]1Cc1ccc(C(=O)N2CCCCC2)cc1,-1.2143572568893433
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2421869039535522
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2642571926116943
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2o1,-1.1950688362121582
+O=C(O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1,-1.566186547279358
+Cc1ccc(N2CCN(C(=O)c3ccc4ccc(C)nc4c3)CC2)cc1,-0.5748715996742249
+Cc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2)cc1F,-1.0887867212295532
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-0.9891068339347839
+Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.2643146514892578
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.046830177307129
+O=C(NCCc1ccc(Br)s1)NC1CCCCC1,-1.4982086420059204
+CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5511901378631592
+COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3C)CC2)on1,-0.9109212756156921
+CCOCC(=O)N[C@H]1CCO[C@H]1C1CCCCC1,-1.6728986501693726
+CC1(C)CN(C(=O)C(=O)NCC2CCCCC2)CCO1,-1.5891516208648682
+CS(=O)(=O)c1cc(NCc2ccc(F)c(F)c2)ccc1F,-0.9483150839805603
+Cc1ccc(N2CCC(C(=O)N(C)C3CC[NH2+]CC3)CC2)cc1,-1.0342671871185303
+c1ccc(CN2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1,-1.0828843116760254
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9590718150138855
+C[C@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2834794521331787
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(O)c1,-1.4449386596679688
+O=S(=O)(NC1CCCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1,-0.9675166606903076
+CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.3633992671966553
+O=C(NCc1ccccc1)c1ccc2c(c1)CC(O)=N2,-1.390986680984497
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.027330994606018
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8945104479789734
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679491996765137
+O=C(NCCCCC(F)(F)F)N1CCC(c2ccccc2)CC1,-1.217348337173462
+O=C(CN1CCCC1=O)Nc1ccc(N2CCOCC2)cc1,-1.506728172302246
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0794343948364258
+Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-0.9507145881652832
+C[C@@H]1CN(Cc2ccc(I)cc2)CC[NH+]1Cc1ccccc1,-1.2404217720031738
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3551161289215088
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1200183629989624
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1,-1.1642438173294067
+CC1(C)C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CCS1,-1.4776098728179932
+O=C(c1ccc(O)cc1)N1CC[NH+](CCC2CCOCC2)CC1,-1.5151911973953247
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9446201920509338
+Nc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1,-1.3364366292953491
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1,-1.0488251447677612
+Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0470532178878784
+COc1ccc(C(=O)N2CCN(c3ccccc3)[C@@H](C)C2)cc1,-1.1401572227478027
+Nc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.119926929473877
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2[nH]1,-0.9643887877464294
+N#Cc1cc(Cl)ccc1NCC1CCN(c2ccccc2)CC1,-1.115341067314148
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8362633585929871
+CC1(C)CC[C@@H](C(=O)N2CC[C@H](Cc3ccccc3)C2)C1,-1.4793914556503296
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(Br)cc3)C2)cc1,-1.180190086364746
+O=C(NCc1ccc2c(c1)CCC2)N1CCCC[C@H](O)C1,-1.303430199623108
+CCc1cc(N)ccc1CNC1CCN(CC)CC1,-1.3881250619888306
+Cc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.0532588958740234
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1ccc(-n2cccn2)cc1,-1.186749815940857
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(O)c1,-1.2092907428741455
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3271404504776
+CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1462244987487793
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1899635791778564
+Cc1cccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)c1,-1.1175264120101929
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl,-0.8997500538825989
+c1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cc1,-1.4784926176071167
+O=COCc1ccccc1,-2.0192832946777344
+CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1,-1.0639489889144897
+Cc1ccc(CNC(=O)[C@H](C)Cc2ccc(Br)cc2)cc1,-1.4313749074935913
+C[NH+]1C[C@@H](NC(=O)c2cccc(F)c2)CC[C@H]1c1ccccc1,-1.178619384765625
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0830211639404297
+O=C1CCC[C@H](C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)C1,-1.2719981670379639
+CCOC(=O)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.4313777685165405
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.3862181901931763
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3758524656295776
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3772623538970947
+CC1CN(Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4174277782440186
+COc1cccnc1C(=O)N1CCC(c2ccc(O)cc2)CC1,-1.034402847290039
+O=C(Nc1ccc(F)cc1)C(=O)N1CCC(C2CCC[NH2+]CC2)CC1,-0.9338303804397583
+O=C(NC1CCN(C2CCOCC2)CC1)c1ccc(F)cc1Br,-0.7816571593284607
+CC1(C)CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)C1,-1.3851253986358643
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0376955270767212
+Nc1ccc(COc2ccc(F)cc2)c(-c2ccccc2)c1,-1.24709153175354
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0017726421356201
+C[C@@H]1CCCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.267090082168579
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.959485650062561
+c1ccc(-c2noc(CNCc3ccco3)n2)cc1,-1.6133836507797241
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1F,-0.8327269554138184
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536136627197266
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844220399856567
+O=C(NC[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1,-1.5351312160491943
+COc1ccccc1[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1,-1.0949692726135254
+C[C@H]1C[C@H](NC(=O)c2ccccc2F)CC[NH+]1C(C)(C)C,-0.9318289756774902
+CC(C)(CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1,-1.490164041519165
+CCOc1ccc(C[NH+]2CCOC3(CC[NH+](C)CC3)C2)cc1,-1.5553616285324097
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0736883878707886
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-1.0316855907440186
+O=C(Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.4141112565994263
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.08660089969635
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.019978404045105
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.5433270931243896
+C[C@@H]1CN(C(=O)NC[C@H](O)Cc2ccccc2)C[C@@H](C)O1,-1.605847954750061
+Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)no1,-1.1367751359939575
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1586297750473022
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4975531101226807
+C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1c1ccc(Br)cc1,-0.9318674802780151
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.0755549669265747
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3861535787582397
+Cc1ccc(C2(NC(=O)c3ccc(F)cc3)COC2)cc1,-1.5442399978637695
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.0277724266052246
+O=C(NC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1,-1.2745078802108765
+c1ccc(C[NH+]2CC[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1,-1.474403738975525
+O=C(Nc1nc2ccccc2s1)c1ccn(C2CCCCC2)n1,-0.8346447348594666
+O=C(NC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1,-1.0363646745681763
+COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.357809066772461
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1286624670028687
+Cn1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)n1,-1.0116063356399536
+C[C@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3192362785339355
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1368999481201172
+O=C(NC1CCCCC1)N1CC[S+]([O-])[C@@H](c2ccccc2)C1,-1.4042906761169434
+O=C(Nc1ccc(Br)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.0258575677871704
+CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3680498600006104
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617008566856384
+C[NH+]1CCN(c2ccc(OCC(=O)N3CCOCC3)cc2)CC1,-1.5058135986328125
+CN(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1,-1.4091647863388062
+O=C(NCc1cc(F)cc(F)c1)N1CCn2ccnc2C1,-0.8694747686386108
+O=C(C[NH+]1CCN2CCC[C@H]2C1)NCc1ccc(F)cc1,-1.3942230939865112
+O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.2462950944900513
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Br)CC1,-0.9249821305274963
+Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.0670915842056274
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.236783504486084
+Cn1cc([C@@H]2CCC[C@H]2NC(=O)Cc2ccccc2)cn1,-1.3959416151046753
+CCc1cc(COC(=O)c2ccc(C)cc2)on1,-1.6709986925125122
+Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.35281240940094
+CCCCCC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,-1.3016352653503418
+Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1[O],-1.327255368232727
+Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.1135059595108032
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.3965142965316772
+O=C(c1ncccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9950106143951416
+Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1,-1.0760228633880615
+O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(F)cc1O,-1.0123318433761597
+O=C(N[C@H]1CC12CCCCC2)c1ccc(N2CCOCC2)cc1,-1.499956727027893
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.518201470375061
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-1.0200570821762085
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4730556011199951
+Fc1ccc(CCNc2nnc(-c3ccc(Cl)cc3)s2)cc1,-0.7952010631561279
+CCc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3CCCC3)CC2)cc1,-1.085638403892517
+C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCC[NH+]2C)CC1,-1.166717529296875
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1531975269317627
+COc1ccccc1CNC(=O)[C@@H]1CCCCC[NH+]1C,-1.5331095457077026
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cc(C2CCCCC2)no1,-1.038177490234375
+O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(O)nc1,-0.8032242655754089
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4828325510025024
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1899627447128296
+Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccc1C1CCCCC1,-0.9473957419395447
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3047337532043457
+CC1CCN(C(=O)COc2ccc(C(=O)O)cc2)CC1,-1.4621161222457886
+O=C(Cc1ccc(O)cc1)Nc1cnn(CC(F)(F)F)c1,-1.2575390338897705
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2540055513381958
+CC1(C)CN(C(=O)C(=O)NCc2ccccc2)CCS1,-1.4787328243255615
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0246065855026245
+CC1(C)CN(C(=O)NCCCc2ccc(Br)cc2)CCO1,-1.473025918006897
+O=C(CCC1CCOCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5348529815673828
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4273382425308228
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.994780957698822
+C[C@@H]1C[C@@H](NC(=O)c2ccccc2)CCN1c1ccc(O)cc1,-1.1617804765701294
+Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1,-1.49168860912323
+CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2)cc1,-1.5285742282867432
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.378446102142334
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[C@@H]1c1ccccc1,-1.102597951889038
+N[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.002979040145874
+Cc1ccc(CNc2ccc(O)cc2-c2ccccc2)cc1,-1.3420108556747437
+Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3O)cc2)n1,-0.9718040227890015
+C[C@@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.309675693511963
+O=C(NC1CCCCC1)N1CCOC[C@@H]1c1ccc(F)cc1F,-0.9584223031997681
+O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCC2(CC2)C1,-1.0983643531799316
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.3886226415634155
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625376224517822
+O=C(C(=O)N1CC[NH+](CC2CCCC2)CC1)N1CCSCC1,-1.3516278266906738
+O=C(c1ccccc1Cl)N1CCC(Nc2ccc(F)cc2)CC1,-0.910294234752655
+Cc1ccc(C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1,-1.534315586090088
+CCc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.520389199256897
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5306307077407837
+O=C([C@@H]1CCC[C@@H](O)C1)N1CCN(CCc2ccccc2)CC1,-1.4340424537658691
+C[C@@H](CC(=O)NCC(=O)N1CCCCC1)c1ccc(Cl)cc1,-1.3133727312088013
+Cc1nc2ccc(CNC(=O)N3CCC[C@@H](C)C3)cc2[nH]1,-0.9504594206809998
+O=C(Nc1ccccc1)c1ccnn1CC1CC1,-1.598933219909668
+Cc1ccccc1S(=O)(=O)Nc1ccc(OCCCF)cc1,-1.5469149351119995
+Nc1cc(Cl)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9172705411911011
+CC(C)(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1,-1.5770107507705688
+CCOc1ccc(NC2CCC(C(C)C)CC2)cc1,-1.5577222108840942
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1,-1.0652456283569336
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1321948766708374
+COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6043001413345337
+C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8615199327468872
+O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)Nc1ccccc1Br,-1.2168033123016357
+COc1ccc(CN2CCN(C(=O)C(C)(F)F)CC2)cc1,-1.3640342950820923
+Cc1ccc(CNC(=O)CCn2ncc3ccccc32)s1,-1.2945750951766968
+[B]c1ccc(OCc2ccc(C)cc2)c(-c2ccccc2)c1,-1.3021069765090942
+Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3228631019592285
+O=C(N[C@H]1CCOC[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.9675412178039551
+O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CCC[C@H](c2ccc(F)cc2)C1,-1.1125421524047852
+O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCC(C2CCCC2)CC1,-0.8678429126739502
+CN1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.3050158023834229
+O=C([O-])C1CCN(C(=O)c2ccccc2)CC1,-1.6271847486495972
+O=C(Nc1cccc(F)c1)C1CCN(c2ccc(Cl)cc2)CC1,-0.9512585401535034
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.027561902999878
+Cc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1,-1.631662368774414
+Cc1ccc(OC2CCN(C(=O)c3ccccc3I)CC2)cc1,-1.0226836204528809
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3539880514144897
+O=C(Cc1ccccc1)NC1CCN(c2ccccc2O)CC1,-1.4053093194961548
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0593314170837402
+O=C(CCCCc1ccccc1)Nc1ccc(F)c(F)c1,-1.540421485900879
+Nc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6707299947738647
+Cc1cc(Br)ccc1NC(=O)c1ccc(C2CCCCC2)cc1,-0.8906068801879883
+O=C(c1ccc(F)cc1F)N1CC[NH2+]C[C@H]1Cc1ccccc1,-0.9547426700592041
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3025271892547607
+O=C(Nc1cccc2[nH]ccc12)c1ccc(-c2nccs2)cc1,-0.9608851671218872
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-0.9989188313484192
+O=C1C[C@@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)CCN1,-1.3049944639205933
+O=C(c1ccc2ccc(O)nc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5945686101913452
+Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2Cl)cn1,-0.7849355340003967
+O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2o1,-1.1809834241867065
+O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9422463774681091
+Cc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCOC3)C2)cc1,-1.5001709461212158
+C[C@H](c1ccccc1NC(=O)c1ccccc1)C(F)(F)F,-1.1443390846252441
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1,-0.9709754586219788
+C[NH+]1CCC(C(=O)NC[C@@H]2C[C@@H](O)C23CCCCC3)CC1,-1.3715713024139404
+C1CCC([C@@H]2CCCO2)C1,-1.9653955698013306
+CC(C)CC(=O)Nc1ccc(Oc2cccc(Br)c2)cc1,-1.4664645195007324
+Cc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9979662895202637
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1Cl,-1.0003620386123657
+Fc1cc(C[NH+]2CCN(CC3CCCCC3)CC2)ccc1Br,-1.0214428901672363
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3428497314453125
+CCc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.3625171184539795
+OC1(Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1,-1.536443829536438
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0580346584320068
+O=C1N(Cc2ccccc2)C(CO)N1CC1CCCCC1,-1.5778716802597046
+Cc1oc(-c2ccccc2)cc1C(=O)NC1CC(C)(O)C1,-1.4550336599349976
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4029749631881714
+O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1cc2ccccc2o1,-1.2241179943084717
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9491478800773621
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2439557313919067
+Cc1ccc(N2CCN(C(=O)c3cc(C)cc(C)c3C)CC2)cc1,-0.6386746764183044
+CC1(C)CC[NH+](CC(=O)NCc2ccc([O-])cc2)C1,-1.5977839231491089
+O=C(Cc1ccc(Cl)cc1)NC(=O)c1ccc(I)cc1,-1.1537818908691406
+C[NH+]1CCC[C@H](NC(=O)N2CCC(c3ccccc3Cl)CC2)C1,-0.9144835472106934
+Fc1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1Cl,-1.0630602836608887
+O=C(Nc1ccc(Cl)nc1O)c1ccc(-c2ccccc2)cc1,-0.9616727232933044
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8866881728172302
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(F)cc1,-1.1052196025848389
+O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc2[nH]ccc2c1,-1.3398699760437012
+CCCN(C)C(=O)Nc1ccc(N2CCOCC2)cc1,-1.621691346168518
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4167215824127197
+Cc1ccc(CSc2cc(-c3ccccc3)nc(O)n2)cc1,-1.1538583040237427
+Cc1ccc(N2CC[NH+](CCNC(=O)C(C)C)CC2)cc1,-1.3221243619918823
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2s1,-0.9274918437004089
+C[C@@H]1CN(CC2CCOCC2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2858316898345947
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.3593367338180542
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)n[nH]1,-0.971916139125824
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.566361665725708
+Cc1cccc(NC(=O)N2CCCN(c3ccccc3)CC2)c1,-1.5059539079666138
+CC(C)(C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1,-0.7628152966499329
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139806509017944
+O=C(C[NH+]1CCCC1)N[C@H]1CCO[C@H]1c1ccc(F)cc1,-1.5507493019104004
+Cc1ccc([C@@H]([NH3+])CC(=O)NCc2cc(Cl)ccc2Cl)s1,-0.7745399475097656
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)s1,-1.0312751531600952
+Cc1coc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)c1,-1.3641566038131714
+COc1ccc(CNC(=O)c2cc(N)no2)cc1,-1.5942959785461426
+c1ccc(N2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)cc1,-1.406746506690979
+O=C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4264779090881348
+COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1,-1.3824995756149292
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0274302959442139
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cn1,-0.9388419985771179
+C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)CCN1c1ccccc1,-1.1408947706222534
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.22672700881958
+Clc1ccc(COc2ccc(Cl)c(N3CCCCC3)c2)cc1,-1.0306546688079834
+O=C(Nc1ccc(F)cc1O)N1CCC(c2ccccc2)CC1,-1.0777182579040527
+CC1(C)CC(CN2C[C@@H](O)C[C@H]2CC2CCCCC2)C1,-1.5342799425125122
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0309922695159912
+O=C(Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1,-1.3402411937713623
+Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.1599764823913574
+Cc1ccccc1NC(=O)c1ccc(F)cc1,-1.6004999876022339
+CC(C)CC(=O)Nc1ccc(C[NH+]2CCO[C@H](C)C2)cc1,-1.5423824787139893
+Cc1ccc(N2CCCN(C(=O)Nc3ccccc3)CC2)cc1,-1.3914048671722412
+CC(C)(C)NC(=O)C1CCN(c2ccc(F)cc2Br)CC1,-0.7538675665855408
+CC(C)(CNC(=O)Nc1ccc(Br)cc1)C(N)=O,-1.428118348121643
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9715835452079773
+O=C(NC[C@@H]1CCCNC1=O)Nc1ccccc1Br,-1.3144677877426147
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9674042463302612
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0803364515304565
+O=C(NCc1ccc(O)c(F)c1)c1cc2ccccc2o1,-1.1764748096466064
+CC(N)C1CCCN(C(=O)c2ccccc2N2CCCCC2)C1,-0.9411812424659729
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0134083032608032
+Cc1cc(F)ccc1C(=O)NCC[NH+]1CCC(C)(O)CC1,-1.4304814338684082
+O=C([O-])CN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1,-1.484710454940796
+CCCC[NH2+][C@H]1CCCN(C(=O)Nc2ccccc2)C1,-1.6131930351257324
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(F)c1,-1.1372872591018677
+Cc1ccc(NCc2ccccc2)c(-c2ccccc2)c1C,-1.1904460191726685
+O=C(c1csc2ccccc12)N1CCC[C@@H]1Cc1ccccc1,-1.0152153968811035
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1076871156692505
+Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.2624293565750122
+O=C(N[C@@H]1CCCC[C@@H]1O)c1ccn(-c2cc(Cl)ccc2Cl)n1,-0.5657883882522583
+Cc1nc(CCNC(=O)N[C@H]2CCCOC2)cs1,-1.5851037502288818
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1020582914352417
+CCc1ccc(NC(=O)CCOc2ccccc2)cc1,-1.6908695697784424
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0570695400238037
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.096454381942749
+CC(=O)N[C@@H]1CCC[NH2+]C1,-1.9495669603347778
+CC1(C)CC(C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.3835006952285767
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.2885260581970215
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2C)cc1,-1.1509994268417358
+Cn1cc(C(=O)NC[C@@H]2CCC[NH+](C)C2)c2ccccc21,-1.0719051361083984
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)C(=O)N1CCCCC1,-1.3625258207321167
+Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9873387813568115
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nccn2c1,-0.9848565459251404
+O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.061997413635254
+O=C(c1ccc2ncoc2c1)N1CCC[C@H]1Cc1ccccc1,-1.1442207098007202
+Nc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-0.9664850831031799
+Cc1ccc(N2CCN(C=O)CC2)cc1,-1.7229045629501343
+Cc1ccc(-n2ccc(C(=O)Nc3cc(C)on3)n2)cc1,-1.189167857170105
+Cc1ccccc1CNC(=O)N1CCCCC2(CCOCC2)C1,-1.4775166511535645
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)cn1,-0.9153971672058105
+CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(O)cc2)C1,-1.523226022720337
+Cc1nc2cc(CCC(=O)N3CCN(c4ccccc4)CC3)ccc2s1,-0.6997610926628113
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.080601692199707
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3742274045944214
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.388387680053711
+Cn1cc(C(=O)N2CCC[C@@H]2Cc2ccc(S)cc2)cn1,-1.2445149421691895
+C[C@@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.0487053394317627
+Fc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1,-0.9789296984672546
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.1233673095703125
+CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1,-0.6795444488525391
+O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.8063289523124695
+CN1CCN(c2ccc(NC(=O)C3CCCc4ccccc43)cc2)CC1,-0.8993189930915833
+Cc1cnn(C)c1NC(=O)[C@H]1CCC[C@@H]1c1ccccc1,-1.0318968296051025
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1754242181777954
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.19833242893219
+Cc1ccc(F)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9635174870491028
+Cc1cccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)c1,-1.129737377166748
+Cc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1Cl,-0.9913315176963806
+Cc1ocnc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1,-1.1716926097869873
+Cc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9672884345054626
+Cc1ccnc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1,-1.0464953184127808
+CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C[C@@H](C)O2,-1.1077864170074463
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.013390064239502
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2156445980072021
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Br)c2)n[nH]1,-0.8736757040023804
+Cn1cc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1,-1.473758578300476
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750476598739624
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0877153873443604
+CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.3462692499160767
+CC(C)(C)c1ccc(NC(=O)c2ccc(F)cc2F)cc1,-0.9063016176223755
+Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0497387647628784
+Nc1ccc(NC(=O)NCc2ccccc2)cn1,-1.6410678625106812
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9498140215873718
+C[NH+]1CCC(N2CC[C@@H](NC(=O)C3CCCCC3)C2=O)CC1,-1.0310882329940796
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.134752631187439
+O=C(NCCN=C(O)Cc1ccccc1)c1ccc(F)cc1,-1.509189248085022
+O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-1.0450717210769653
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.1739473342895508
+COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.569443702697754
+c1cc2c(cc1CN1CC[NH+](C[C@H]3CCCO3)CC1)CCO2,-1.4714120626449585
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9329408407211304
+Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.5265110731124878
+O=C(Cc1ccc(F)cc1)N[C@H]1CCC[C@@H]1c1ncc[nH]1,-1.2269067764282227
+O=C(Cc1ccccc1)N1CCC(c2nc(O)c3ccccc3n2)CC1,-0.7002734541893005
+O=C(Nc1cc(F)ccc1F)N1CCC[C@H](c2ccccc2)C1,-0.9683974981307983
+CC(=O)c1ccc(C(=O)Nc2ccc(N)c(Cl)c2)cc1,-1.0439733266830444
+O=C(NC1CCOCC1)N1CCCN(c2ccc(F)cc2)CC1,-1.2647359371185303
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.040098786354065
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1,-1.010551929473877
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1602973937988281
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.185605525970459
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1,-0.9067175388336182
+Cc1csc(CN2CCN(C(=O)Cc3ccccc3)[C@H](C)C2)n1,-1.000013828277588
+O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cc(Cl)c[nH]1,-0.9112339019775391
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1834927797317505
+Cc1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)s2)s1,-0.7564359307289124
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1948069334030151
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8980695605278015
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.993648111820221
+Cc1ccc(CC(O)CNC(=O)c2ccc(F)cc2)cc1,-1.4648979902267456
+O=C(O)CCN1CCN(C(=O)CNc2ccc(F)cc2)CC1,-1.4351063966751099
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1385929584503174
+COc1ccc(C(=O)N2CCC([NH+]3CCC[C@@H](C)C3)CC2)cc1,-1.0997240543365479
+Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)ns1,-0.9399682879447937
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003921270370483
+CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.600071668624878
+C[C@@H]1COCCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)C1,-1.3883601427078247
+Cc1ccc(-c2ccc([N-])cc2NCc2ccccc2)cc1,-1.2482223510742188
+Cc1cc(C(=O)NC2(C)CCN(c3ccccc3)C2)no1,-1.444642186164856
+O=C(CCc1ccccc1)Nc1ccccc1N1CCOCC1,-1.5180718898773193
+O=C(c1ccc(F)cc1I)N1CCN(Cc2ccccc2)CC1,-1.0167794227600098
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.221171498298645
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329930305480957
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0331333875656128
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4860461950302124
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)C1CCC(O)CC1,-1.454095482826233
+CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.1979681253433228
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3411277532577515
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1885511875152588
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-0.9111000299453735
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccn2)C1,-1.639445424079895
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.8474003076553345
+O=C(NCCC(O)=NCc1ccccc1)c1ccc(O)cc1,-1.5419137477874756
+O=c1[nH]c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2[nH]1,-0.8888417482376099
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4427117109298706
+Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c1,-0.713814377784729
+C[NH+]1CCC2(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)C1,-1.1773585081100464
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Br)c3)C2)cn1,-0.973991870880127
+C[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)C[C@H](C)N1,-1.4599864482879639
+c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCN(C2CCOCC2)CC1,-0.9953264594078064
+O=C(NCC1(C(O)N2CCOCC2)CCCC1)C1CCCCC1,-1.5083497762680054
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.113020658493042
+O=C(NCc1ccc(Br)s1)N[C@H]1C[C@H](O)C1,-1.5368543863296509
+Cc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)s1,-1.1145328283309937
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1722270250320435
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CC[NH2+]CC2)C1,-1.0877176523208618
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cn1,-1.0537041425704956
+Cc1cc(F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1,-0.9246577024459839
+Cc1cc(CNC(=O)c2ccc3cc(Br)ccc3n2)no1,-0.8465235233306885
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1150858402252197
+Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.3267802000045776
+CC(C)Sc1ccc(NC(=O)c2cccs2)cc1,-1.5259430408477783
+CC(C)CCC(=O)N1CCN(c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-0.855837881565094
+Cc1ccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)cc1,-0.9739149212837219
+O=C(c1ccccc1)N1CCN(Cc2cccc(F)c2F)CC1,-0.9886172413825989
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9205533862113953
+Nc1ncccc1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.8876587748527527
+CC(=O)N1CCC(C)(NC(=O)C2CCC(O)CC2)CC1,-1.3905820846557617
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.070772409439087
+CCCCNC(=O)c1cccc(Cc2ccccc2)c1,-1.66656494140625
+CCOc1ccc(NC(=O)C(C)([NH3+])C(F)(F)F)cc1,-1.5317336320877075
+COc1ccc(CNC(=O)C2=COc3ccccc3O2)cc1,-1.5344789028167725
+O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2519705295562744
+Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1,-1.5875990390777588
+CNCc1ccc(Oc2ccc(C(C)C)cc2)cc1,-1.574224829673767
+O=C(Nc1ccc(Cl)cc1)C1CCC(N2CCCC2=O)CC1,-0.9977526664733887
+c1ccc(Cc2ccc3c(c2)CN(Cc2ccccc2)CC3)cc1,-1.3070050477981567
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.719118595123291
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0200964212417603
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8830592036247253
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0096194744110107
+CCOc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.2862341403961182
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1,-1.4604965448379517
+CC[C@@H]1CCCN1C(=O)NCCc1csc(C)n1,-1.2919656038284302
+O=C(CC[NH+]1CCOCC1)N[C@H]1CCC[C@H](c2ccccc2)C1,-1.5032695531845093
+O=C(Cc1ccc(F)cc1F)NCCc1ccc(Br)cc1,-1.16402006149292
+O=C(Nc1ccc(-c2cn[nH]n2)cc1)c1cc2ccccc2[nH]1,-1.0220930576324463
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1,-1.2277309894561768
+CNC(=O)C1CCCCC1,-1.937330961227417
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0010123252868652
+Cc1cccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)c1,-1.3472367525100708
+Cc1ccccc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1,-1.172636866569519
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9983360767364502
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9580432176589966
+Cc1cc(F)c(F)cc1C(=O)NCC1CC(F)(F)C1,-0.8513086438179016
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.680675983428955
+Nc1ccc(C(=O)NC2CCN(C(=O)CCCF)CC2)cc1,-1.2091255187988281
+O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC([NH+]2CCOCC2)CC1,-1.1919753551483154
+Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)o1,-0.7949000597000122
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cc1,-0.8712510466575623
+Cc1ccc(OCc2ccc(-c3ccc(S)cc3)cc2)cc1,-1.5014041662216187
+O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-0.9916650652885437
+C[C@@](O)(Cc1ccccc1)C(=O)NCc1ccc(F)cc1,-1.5635656118392944
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2163467407226562
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.125740885734558
+Fc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.2143516540527344
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9614948034286499
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0276250839233398
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8418287038803101
+Cc1ccc(CNC(=O)c2cc3ccc(F)cc3s2)nc1,-0.8831446766853333
+C[C@@H]1C[NH+](C2CCCCC2)CCC[C@@H]1NC(=O)C1CCOCC1,-1.3329254388809204
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2007901668548584
+CC1(O)CC(NC(=O)N2CCC(c3ccccc3)CC2)C1,-1.5255454778671265
+C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.3448258638381958
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3938790559768677
+O=C(Cc1ccc(I)cc1)NCc1nc2ccccc2s1,-0.9086784720420837
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.272910714149475
+CC(C)C1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.1323819160461426
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9616613388061523
+N#Cc1cccc(NC(=O)c2ccc(-c3cnc[nH]3)cc2)c1,-1.2884941101074219
+Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5750141143798828
+Cc1cc([NH3+])ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.2149264812469482
+O=C(Nc1ccccc1F)N1CCN(c2cccc(O)c2)CC1,-1.0999093055725098
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nn1,-0.8766617774963379
+CC1CC(C)CN(c2ccc(OCc3ccccc3)cc2)C1,-1.4248970746994019
+[NH2+]c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3709957599639893
+CC(C)Cc1ccc(NC(=O)[C@H]2COc3ccccc3N2)cc1,-1.164031982421875
+O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.3076961040496826
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.132411241531372
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9076496958732605
+O=C(O)CN1CCC(NC(=O)Cc2ccccc2)CC1,-1.6095716953277588
+Cc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1,-1.50778329372406
+Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0472412109375
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5781811475753784
+NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.425101399421692
+O=C(CCc1ccc(Br)cc1)Nc1nc(C(=O)[O-])cs1,-1.240371823310852
+Cc1cc(N2CCOC3(CCCCC3)C2)n(Cc2ccc(F)cc2)n1,-0.9890536665916443
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1453675031661987
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2o1,-1.015204668045044
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1Cl,-0.7996096611022949
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4887669086456299
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318571448326111
+O=C(C(O)=NCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.019861102104187
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)c(N)c1,-0.9811909198760986
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124985456466675
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9479835629463196
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.0766617059707642
+Nc1ccc(F)c(C(=O)NCc2nc3ccccc3[nH]2)c1,-0.8594028353691101
+Bc1ccc(C(=O)NCc2cc3ccc(Br)cc3[nH]2)cc1,-0.9517563581466675
+O=C1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)N1,-1.3051515817642212
+O=C1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.3748780488967896
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.2058886289596558
+NC(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.192994236946106
+N#Cc1ccc(NC(=O)N2CCCC(c3ncco3)C2)cc1,-1.2853732109069824
+Fc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.4213720560073853
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2o1,-1.1503114700317383
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.3940715789794922
+Nc1ccc(NC(=O)C2CC(c3ccc(F)cc3)C2)nc1,-1.0287786722183228
+Cn1cnc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)c1,-1.1053707599639893
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0646721124649048
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.794475793838501
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.1156104803085327
+Cn1cc(C(N)=O)cn1,-1.9248050451278687
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)on1,-1.2435524463653564
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2391144037246704
+NS(=O)(=O)c1ccc(CNCCc2ccccc2)cc1,-1.5932753086090088
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)n1,-0.9464079141616821
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]([C@H]3CCCCO3)C2)c(C)c1,-1.2414138317108154
+C[NH+](C)C1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0748867988586426
+Cc1cc(F)ccc1C(=O)N1CCN(c2ccc(F)cc2)[C@@H](C)C1,-0.5740652680397034
+COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.468126654624939
+C[C@H]1CN(C(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2O1,-0.6833518743515015
+Cc1nc2ccc(C(=O)NCc3cccc(N)c3)cc2s1,-0.883708655834198
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9758314490318298
+CC(C)CCCC(=O)Nc1ccc(OCC(=N)O)cc1,-1.5828832387924194
+O=C(Cc1ccc([NH+]2CCOCC2)cc1)Nc1ccccc1O,-1.4753153324127197
+O=C(NC1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1,-0.8134709000587463
+O=C([O-])COC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.5677534341812134
+CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.1171469688415527
+CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1,-1.5365736484527588
+O=C(Cc1nc2cc(Cl)ccc2[nH]1)NCc1ccccc1,-1.2465379238128662
+COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.5806074142456055
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.1397367715835571
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2358648777008057
+C[NH+]1CCC[C@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5582780838012695
+COc1ccc(NC(=O)CC(=O)N2CCC[NH+](C)CC2)cc1,-1.536879301071167
+N#Cc1ccc(N2CCC(NC(=O)c3cccs3)CC2)cc1,-1.2047820091247559
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.487410306930542
+[NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)C1,-0.9721689224243164
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8480121493339539
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1814545392990112
+COC(=O)c1ccc(NC(=O)N2CCCCC2)cc1,-1.6003745794296265
+CC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1Cl,-1.0449013710021973
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3786463737487793
+C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N)cc1F,-0.877083420753479
+Cc1cc(OCc2ccc(-c3ccccc3)cc2)ccc1N,-1.3232002258300781
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.117257833480835
+O=C(NC1CC(F)(F)C1)N1CCN(c2ccccc2)CC1,-1.209433913230896
+C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2)CC[C@@H]1C,-1.378109335899353
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)N2CC[NH+](C)CC2)s1,-1.1401615142822266
+O=C(NC1CCN(c2ccccc2Br)CC1)c1ccc(Br)cc1,-0.7917392253875732
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.2100430727005005
+C[NH+]1CCCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1,-1.4732410907745361
+O=C(Nc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1,-0.79148268699646
+Cc1ccc(NCc2cc(-c3ccc(F)cc3)no2)c(F)c1,-1.0911939144134521
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.039977788925171
+Cc1cc(F)cc(NCc2ccc(C(C)(C)C)cc2)c1,-1.3534027338027954
+CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1cccs1,-1.6032352447509766
+Cc1ccncc1C(=O)N1CCOC[C@@H]1Cc1ccc(Cl)cc1,-0.9668858647346497
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1267223358154297
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2s1,-0.7962241172790527
+c1ccc(Oc2ccc(C[NH+]3CCc4ccccc4C3)cc2)cc1,-1.3663878440856934
+Cc1cc(Br)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-0.9569000601768494
+O=C(NCc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1,-1.269707202911377
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.517432689666748
+CC(=O)N1CCN(C(=O)CNc2ccc(C)cc2)CC1,-1.4495365619659424
+COc1ccc(OCC(=O)Nc2ccccc2C)cc1,-1.63428795337677
+O=C(c1ccc(F)cc1)N1CCC(Nc2ccccc2Cl)CC1,-0.9972872138023376
+Nc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9239872694015503
+c1ccc(CN2CCN3CN(Cc4ccccc4)CC[C@@H]3C2)cc1,-1.4025360345840454
+CN(Cc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2,-1.2317907810211182
+C[NH+]1CCCC2(CCN(C(=O)NCc3ccccc3)C2)C1,-1.5592883825302124
+CC(=O)N1CCN(C(=O)c2nnc(-c3ccccc3)s2)CC1,-0.9955552816390991
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1027710437774658
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0199719667434692
+C[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CCCO1,-1.486151933670044
+O=C(Nc1ccccc1F)c1ccc(N=C(O)c2ccccc2)cc1,-1.0807446241378784
+Clc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0931297540664673
+C[NH+]1CCCC[C@@H](NC(=O)C2CCN(c3ccccc3)CC2)C1,-1.2777024507522583
+O=C(NC1CCOCC1)N1CCCN(c2ccc(F)cc2)CC1,-1.4392108917236328
+Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1,-1.184746503829956
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.9125236868858337
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5138992071151733
+Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8772634267807007
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0550354719161987
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0128220319747925
+CN1CCN(C(=O)NCc2cc(Br)ccc2F)CC1=O,-0.8487459421157837
+Cc1cccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)c1,-1.399890422821045
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-1.0384615659713745
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700104236602783
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.036726474761963
+CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1,-1.7065893411636353
+Cc1cccc(NC(=O)NCC2CCOCC2)n1,-1.6373602151870728
+CC[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C)C2)C1,-1.5944488048553467
+O=C1C[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)CCN1,-1.3447476625442505
+CC(C)C(=O)N[C@H]1CCCN1C(=O)c1ccc(Br)cc1,-1.1157227754592896
+O=C(Nc1ccc(F)cc1O)[C@H]1CCCN(c2ccccc2)C1,-1.069515347480774
+O=C(Nc1ccc(Br)cn1)N1CCC[C@H](CC(F)(F)F)C1,-0.8576851487159729
+Fc1ccc(-c2nnc(NCc3ccc(F)cc3F)s2)cc1,-0.5792691707611084
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-1.192472219467163
+Oc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.5214180946350098
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.1563456058502197
+Cc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1,-0.9922146201133728
+COc1cc(C[NH+]2CCN(C)CC2)ccc1-c1nc(C)no1,-1.0359597206115723
+Clc1ccc(N2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1,-0.977214515209198
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1157760620117188
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncoc2c1,-0.9099955558776855
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1723015308380127
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.469894289970398
+O=C(NCc1ccc(F)cc1)C(=O)c1ccc(F)cc1,-1.3343998193740845
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(N)cc1,-1.0647215843200684
+CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2F)CC1,-0.9654344916343689
+O=C(NC1CC12CCC2)N1CCC(c2ccc(Cl)cc2)C1,-1.037893295288086
+CC1CCCCC1CCNCc1ccn(C)n1,-1.6169172525405884
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0650875568389893
+Cc1ccc(F)c(NC(=O)c2ccc(N3CCOCC3)nc2)c1,-1.0024633407592773
+CCCCCOc1ccc(NCc2ccccc2N)cc1,-1.5683122873306274
+Cc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O,-1.1648752689361572
+O=C(NC[C@@H]1CC(=O)C2(CCCC2)C1)c1ccccc1,-1.5765353441238403
+O=C(Cc1ccc(I)cc1)NCCc1ccc(F)cc1Cl,-0.8924844264984131
+C[C@@H]1CCCCN1C(=O)NC(C)(C)Cc1ccc(F)cc1,-1.2321122884750366
+Clc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.0553151369094849
+O=C(Nc1ccc(-c2ccccc2)cc1)C1CC[S+]([O-])CC1,-1.341355800628662
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.33614182472229
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.130954623222351
+CCc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1188139915466309
+NC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1,-1.3519564867019653
+Cc1nc2ccc(NC(=O)Cc3ccc4c(c3)CCCC4)cc2[nH]1,-0.7054992914199829
+O=C(c1ccc(Cl)cc1F)N1CCC(Oc2ccccc2)CC1,-1.0234785079956055
+CC1CCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)CC1,-1.2966022491455078
+CN(Cc1ccc(-c2ccccn2)cc1)C(=O)C(C)(C)[NH3+],-1.4031767845153809
+C[NH+]1CCC[C@@H](NC(=O)NCCC2CCCCCC2)C1,-1.5965149402618408
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1739933490753174
+O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.5221871137619019
+O=C(CC1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1,-0.8188105821609497
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.132163643836975
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0503395795822144
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1,-0.9645257592201233
+C[NH+]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.446593165397644
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0286558866500854
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.3983005881309509
+COC1(CNC(=O)c2ccc(C)cc2)CCCC1,-1.678400993347168
+Cc1cc(O)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-1.0994703769683838
+O=C(N[C@H]1CCCC[C@@H]1N1CCCC1=O)c1ccc(O)cc1,-1.128830909729004
+O=C(Nc1cc(-c2ccccc2)no1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.1241651773452759
+O=C1Cc2cc(C[NH+]3CCN(c4ccc(Br)cc4)CC3)ccc2N1,-0.8012584447860718
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0428193807601929
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.981288492679596
+Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3F)CC2)on1,-1.059346079826355
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)no1,-1.1225347518920898
+CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2N)CC1,-1.1633963584899902
+COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(C)c1,-0.9198249578475952
+C[C@@H]1CN(C(=O)Nc2ccccc2Br)CC[NH+]1C1CCCCC1,-0.8780112862586975
+C[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[NH+]1CCCCC1,-1.4531322717666626
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3126193284988403
+CC(C(=O)NCc1ccccc1I)N1CCc2ccccc2C1,-0.8061652183532715
+O=C(Nc1ccc2[nH]nnc2c1)C1(c2ccccc2)CCCC1,-1.106239914894104
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0040611028671265
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5144118070602417
+CN1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.2262362241744995
+Cc1cc(Br)ccc1C(=O)NCNC1CCCC1,-1.3832553625106812
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4308007955551147
+Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(Cl)cc2)c[nH]1,-1.1899410486221313
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-0.9848239421844482
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1,-1.246936321258545
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.897572934627533
+Cc1ccc(OCC2CCN(c3ccc(C)cc3)CC2)cc1,-1.4303760528564453
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1201896667480469
+Cn1cc2c(n1)CN(C(=O)NCc1cccc(Cl)c1)CC2,-0.86729896068573
+Cc1cc(C)n(-c2ccccc2NC(=O)c2ccccc2I)n1,-0.6589886546134949
+COC1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.142309546470642
+C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1,-1.2601150274276733
+Cc1ccc(NC(=O)CCOc2ccc(Br)cc2)c(Cl)c1,-1.1510584354400635
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1Cl,-1.076714038848877
+C[C@H](C(=O)Nc1ccc(C2CCCCC2)cc1)c1ccccc1,-1.3235139846801758
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3818373680114746
+Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1,-1.055718183517456
+O=C1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.5000218152999878
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852415800094604
+O=C(Cc1ccc(O)cc1)NCCc1ccc(Cl)cc1Cl,-1.115216851234436
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1038764715194702
+Cc1cc(N)ccc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.1131502389907837
+O=C(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9698716998100281
+Cc1ccc([C@@H]2CCC[C@H]2NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.1782622337341309
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0934096574783325
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH2+]C[C@@H]3C)cc2)C1,-1.0304635763168335
+O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(I)cc1,-0.9949711561203003
+[CH]c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.0558195114135742
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1868274211883545
+N#Cc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1,-1.27578604221344
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3048964738845825
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.067966103553772
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6611206531524658
+C[C@@H]1C[C@H](Nc2ccccc2)CC[NH+]1Cc1ccc(I)cc1,-1.1903302669525146
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c([O-])c1,-1.228299617767334
+O=C(NC1CCCCCC1)C1CCN(c2ccc(F)cc2)CC1,-1.156052589416504
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1745909452438354
+O=C(Cc1cccc(Cl)c1)NC[C@H](O)c1ccc(Br)cc1,-1.2127251625061035
+O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(O)cc1,-1.0100017786026
+COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0566463470458984
+Oc1cc(CNc2cccc(-c3ccccc3)c2)ccc1F,-1.2920780181884766
+CC(C)(N)CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.3427281379699707
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3692654371261597
+CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5886046886444092
+C[C@@H](C(=O)NCCc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1589131355285645
+[NH3+]CCCC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1,-1.2174263000488281
+Cc1ccc(F)cc1C(=O)NCc1ccc2c(c1)OCO2,-1.107191562652588
+C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CC[NH+]1Cc1ccc(F)cc1,-0.9874897599220276
+CCC(C)C(=O)NCc1cccc(N2CCN(C)CC2)c1,-1.4265522956848145
+C[NH+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1,-1.212735652923584
+O=C(Nc1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8557948470115662
+Cc1ccc(NC(=O)c2ccccc2I)cc1,-1.431390404701233
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1,-1.2211169004440308
+Cc1ccc(C(=O)N2CC[C@]3(CCCC3=O)[C@H]2c2ccccc2)cc1,-1.0376570224761963
+Cc1nocc1CNC(=O)N[C@@H]1CCC[NH+](C)C1,-1.60686457157135
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2cccc(Cl)c2)CC1,-0.9899657368659973
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1,-0.9598665833473206
+N#Cc1ccc(COc2ccc(-c3ccccc3)cc2Br)cc1,-1.132068157196045
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.0764400959014893
+C[NH+]1CC[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2O)C1,-1.2267996072769165
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0946828126907349
+Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3cccc(Br)c3)C2)cc1,-1.4190850257873535
+CN1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1=O,-1.4497064352035522
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.9851285219192505
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(I)cc1,-1.1776546239852905
+O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6621041297912598
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)c[nH+]3)CC2)cc1,-1.0830570459365845
+C[NH+]1CCC[C@@H](C(=O)NC2CC(c3cccc(Br)c3)C2)C1,-1.025534987449646
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-0.998481035232544
+CC(C)(C)c1nc(C(=O)Nc2ccc(C#N)cc2)cs1,-0.9768038988113403
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1492878198623657
+CC(C)[NH+]1CCCC[C@H]1NC(=O)N1CCC2(CCCC2)C1,-1.30109441280365
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.0824341773986816
+CC(C)(O)CC(=O)NCc1ccc(C(F)(F)F)cc1,-1.5536783933639526
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-1.0606389045715332
+O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2o1,-1.2215769290924072
+O=C(Nc1ccc(Br)cc1)N[C@@H]1CCOC2(CCCC2)C1,-1.4756994247436523
+Clc1cccc(CNCC2CCCC(C3CCCCC3)C2)c1,-1.2399247884750366
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.10597825050354
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2,-1.1779669523239136
+COc1ccc(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)cc1,-1.1929633617401123
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(C)n1,-1.0545017719268799
+O=C(Cc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1,-1.269792914390564
+C[C@@H]1CCCC[NH+]1CCNC(=O)Nc1ncccc1Cl,-1.1972988843917847
+Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.5919411182403564
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)O1,-1.5280578136444092
+O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1O,-1.1844993829727173
+Cc1nc(-c2ccc(CN3CCC(C(C)C)CC3)cc2)n[nH]1,-0.8413801193237305
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1860965490341187
+O=C(Cn1cccn1)N[C@H]1CCC[C@H]1c1cccc(Cl)c1,-1.3122540712356567
+Cc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1,-1.0098252296447754
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)nc1,-1.5305945873260498
+O=C(Nc1ccc(Cl)cc1)OCc1ccccc1,-1.685442566871643
+Cc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1,-1.413755178451538
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-1.0460023880004883
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1228148937225342
+CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.4628947973251343
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)n[nH]1,-1.0955877304077148
+COc1cccc(C[NH+]2Cc3ccccc3[C@@H]2c2ccccc2)c1,-1.1539361476898193
+O=C(NCc1ccc(F)cc1Cl)N1CCC2(CCCC2)C1,-1.045686960220337
+O=C(C[NH+]1CCN(C2CCOCC2)CC1)Nc1cccc(F)c1,-1.4986989498138428
+CC(=O)Nc1cccc(COc2ccccc2)c1,-1.6986184120178223
+C[C@@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.312292218208313
+O=C(NCc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](O)C1,-1.3631483316421509
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.5404659509658813
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0716722011566162
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852443218231201
+O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.787229061126709
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5318684577941895
+CC1OCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1C,-1.4012702703475952
+Clc1ccc(N2CCC([NH2+]Cc3ccc(I)cc3)CC2)cc1,-0.969184160232544
+CC(C)CNC(=O)N1CCC([NH+]2C[C@@H](C)O[C@@H](C)C2)CC1,-1.2406004667282104
+Cc1cc(N2CCC(OCc3ccccc3)CC2)ccc1I,-1.167252779006958
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.072253942489624
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F,-0.9753954410552979
+Nc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1,-1.177815318107605
+CC(C)[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1,-1.5233054161071777
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC=O,-1.3567014932632446
+O=C(NCc1csc2ccccc12)N1CCc2ccccc2C1,-0.9333173632621765
+Cc1ccc(F)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.0309691429138184
+Cc1ccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F,-1.0707238912582397
+Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F,-1.306786060333252
+Clc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1Cl,-0.8986402750015259
+Cc1ccc(-c2cc(NCc3ccc(Br)cc3)ncn2)cc1,-0.982182502746582
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1362496614456177
+Cc1nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cs1,-0.8236255049705505
+Cc1ccc(CNC(=O)N2CC(C)(C)C2(C)C)cn1,-1.1804168224334717
+Cc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1,-1.506527304649353
+CCc1ccc(CC(=O)Oc2c(C)cc(O)cc2C)cc1,-1.234803557395935
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0995835065841675
+Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2)c(C)c1,-1.053240418434143
+Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.168869137763977
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cn2n1,-0.8155492544174194
+COc1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1,-1.4703724384307861
+Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1949329376220703
+O=C(CN1CCCC1=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.3664870262145996
+Cc1nc(C)c(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)s1,-0.744317352771759
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8813276290893555
+Oc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.190302848815918
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.6348326206207275
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl,-0.9049650430679321
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1868335008621216
+Cc1cccc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc2)c1,-1.0824239253997803
+CC(C)[C@H]1CCN(C(=O)NCc2ccccc2)C1,-1.6076319217681885
+CCOc1ccc(CNc2ccc(F)cc2C)cc1,-1.5856050252914429
+O=C(CC1CCOCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.5352894067764282
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3574583530426025
+Cc1nc2cc(CNC(=O)c3ccc(Br)cc3)ccc2[nH]1,-0.855790913105011
+O=C(NCC(O)=NCCc1ccccc1)c1ccc(Cl)cc1,-1.476318120956421
+CCNc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.601194977760315
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2891058921813965
+O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]1,-1.210605502128601
+CC(C)[NH+]1CCN(C(=O)[C@H]2CCO[C@@H](c3ccccc3)C2)CC1,-1.3363361358642578
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@@H](C)O1,-1.5053484439849854
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2863529920578003
+Cc1cc(O)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-1.124297022819519
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2096670866012573
+O=C([C@@H]1CCN(c2ccc(F)cc2)C1)N1CCCOC2(CCCCC2)C1,-1.0677613019943237
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9280158281326294
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0404493808746338
+C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5358632802963257
+CC(C)c1ccc(CN2CCN(C(=O)[C@@H](C)N)CC2)cc1,-1.0865192413330078
+C[C@H]1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1,-1.2396240234375
+O=C(c1ccc(Cl)cc1)N1CCC[C@H](CCc2ccccc2)C1,-1.2325466871261597
+O=C(c1ccccc1)N1CCNCC1,-1.7880985736846924
+CC(=O)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1,-1.2142784595489502
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.926060676574707
+CCN1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.890890896320343
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-1.004031777381897
+C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9507557153701782
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3925622701644897
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9061684608459473
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1786024570465088
+c1ccc(-c2n[nH]nc2CN2CCN(c3ccccc3)CC2)cc1,-1.0583230257034302
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9259735941886902
+Cc1cnccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0439635515213013
+Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(N)c1,-1.0705689191818237
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-1.0151447057724
+O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.146330714225769
+Cc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)[nH]1,-0.8381184339523315
+O=C(O)c1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1,-1.2630630731582642
+CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.2000075578689575
+O=C(N[C@H]1CCCC[C@H]1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1014779806137085
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.2445646524429321
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1104202270507812
+Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,-1.1628862619400024
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9259228110313416
+O=C(Nc1nc2ccc(Cl)cc2s1)N[C@@H]1CC12CCCC2,-0.79881751537323
+Cc1ccc(-c2ccc(N)cc2)cc1OCC1CCCCC1,-1.2609951496124268
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9654526710510254
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0139421224594116
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)no1,-1.078546166419983
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1440376043319702
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0780563354492188
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)nc1,-1.2052472829818726
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1O)c1ccccc1,-1.1786991357803345
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3493311405181885
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2893940210342407
+C[C@@H]1CN(c2ccc([NH2+]Cc3ccccc3)cc2)C[C@@H](C)O1,-1.5054967403411865
+N=C(O)C1CCC(NCc2ccc(-c3ccccc3)cc2)CC1,-1.3137342929840088
+Cc1cc(F)ccc1NC(=O)c1cccc(N2CCCCC2)c1,-1.0168246030807495
+Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H](C)C2)cc1,-1.1764436960220337
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.4136773347854614
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4260296821594238
+Cc1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1,-1.2721493244171143
+Cc1nonc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1,-0.818606436252594
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ncccc1Cl,-1.24820876121521
+C[NH+]1CCC2(CC[C@H](NC(=O)Nc3ccccc3)C2)CC1,-1.5661243200302124
+COc1ccc(CNCC2CC(C)(C)C2)cc1,-1.6884400844573975
+COC(=O)c1ccc(NC(=O)C2CCOCC2)cc1,-1.6130502223968506
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.0907680988311768
+O=C(NCc1ccc(O)cc1)N1CCC2(CCCC2)CC1,-1.5442845821380615
+CC1CCN(C(N)=O)C1,-1.9263397455215454
+Cc1ccc(C[NH+]2CCOC[C@]3(CCN(C(=O)C(C)C)C3)C2)cc1,-1.2858059406280518
+CCOC(=O)Nc1ccc(-c2nc(C)no2)cc1,-1.5923372507095337
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8928537368774414
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.223952293395996
+CC1(O)CC[C@H](NC(=O)Nc2ccc(F)c(F)c2)C1,-1.3715662956237793
+CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CCCC)cc1,-1.4205379486083984
+O=C(COc1ccc(F)cc1)Nc1ccc2occc2c1,-1.4619332551956177
+Cc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.2727607488632202
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.801175057888031
+CC(C)(C)CC(=O)N1CCN(C2CCN(CC(=O)O)CC2)CC1,-1.154341459274292
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.613979697227478
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-1.3526862859725952
+CO[C@@H](C)C(=O)NCc1cccc(C(=O)O)c1,-1.6671006679534912
+O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2810683250427246
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1169990301132202
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1056370735168457
+CC(C)(C)C(=O)N1CCCC1C(=O)Nc1ccccc1,-1.399990200996399
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.524076223373413
+O=C(NCCc1ccc(Br)cc1)N1CCC2(CCCC2)C1,-1.4347457885742188
+Cc1nc(C)c(-c2ccccc2)nc1C(=O)NC1CCCCC1,-0.8485994338989258
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccn2)C1,-1.6301612854003906
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.256255865097046
+Cn1ccc(C(=O)Nc2cc(-c3ccc(I)cc3)on2)n1,-0.984307587146759
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1cccc(Br)c1,-1.2911518812179565
+O=C(NC1CCOCC1)[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1,-0.7981271147727966
+Cc1cccc(CNC(=O)N2CCn3c(C)nnc3C2)c1,-0.8508424758911133
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1F)c1ccccc1,-1.1582300662994385
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.2684986591339111
+O=C(c1cc2cnccc2s1)N1CCC[C@@H]1Cc1ccccc1,-1.102034568786621
+O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccs2)CC1,-1.0462926626205444
+Clc1ccc(-c2ccccc2CNc2ccc(Br)cc2)cc1,-1.1159249544143677
+O=C(N[C@H]1CC12CCC2)N1CCC[C@H](c2ccccc2)C1,-1.3986774682998657
+O=C(N[C@H]1CC[C@@H](F)C1)N1CCC[C@@H]1c1ccc(F)cc1,-1.0090142488479614
+O=C(NCc1nc2ccc(Cl)cc2s1)c1ccc(O)cc1,-0.821077823638916
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1584442853927612
+Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@H]([NH+]2CCOCC2)C1,-1.0895540714263916
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2457261085510254
+Cc1ccc(NC(=O)Cc2cccc(N=C(O)C(C)C)c2)cc1,-1.3813174962997437
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439529776573181
+Oc1ccc(CNc2ccc(-c3ccccc3)nc2)cc1O,-1.282609462738037
+CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2543280124664307
+Cc1nc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)sc1C,-0.580272376537323
+CCCNCc1ccc(Oc2ccc(Br)cc2)cc1,-1.5628292560577393
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)o1,-1.19666588306427
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1,-1.1888253688812256
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.006180763244629
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1ccc(-n2cccn2)cc1,-1.1812760829925537
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.456782341003418
+Cc1ncccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9890772700309753
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0432955026626587
+O=C(Nc1ccc(O)cc1)C1CCN(c2ccccc2F)CC1,-1.0769277811050415
+C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6932599544525146
+C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.5385175943374634
+Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(C)n1,-1.0007106065750122
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(CO)CC1,-1.156005620956421
+Cc1ccccc1CNCc1ccc(C2CC2)cc1,-1.5367472171783447
+C[C@]1(c2ccccc2)CN(C(=O)Nc2ccccc2Cl)CCO1,-1.3535445928573608
+CC(C)(CCc1ccccc1)NC(=O)c1ccc(I)cc1,-1.4042872190475464
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.0179753303527832
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531240463256836
+O=C(NCC1CC1)c1cc(-c2ccccc2)no1,-1.6146953105926514
+Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1,-1.1185905933380127
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CO1,-1.4845821857452393
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084868907928467
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.13511323928833
+O=C(NCc1cc2ccccc2o1)c1ccc(O)c(O)c1,-1.4109618663787842
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)no1,-1.0868228673934937
+Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1,-1.1105607748031616
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2876845598220825
+CCCCN=C(O)CN1CCC(NCc2ccc(F)cc2)CC1,-1.497658371925354
+CCOc1ccc(NC(=O)c2cc(N)on2)cc1,-1.6616610288619995
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2340452671051025
+Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.1294511556625366
+Cc1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c2ccccc2n1,-0.37448567152023315
+Cc1ccc(NC(=O)C[NH+]2CC[C@H](C(O)=NC3CCC3)C2)cc1,-1.3143036365509033
+c1ccc(N2CC[NH+](Cc3cccnc3N3CCCC3)CC2)cc1,-1.32516610622406
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8827803134918213
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1,-0.9182553291320801
+C[C@H]1CCCCN(C(=O)Nc2ccc(C3CCOCC3)cc2)C1,-1.336877703666687
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)C1CCCCC1,-0.8734007477760315
+C[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.2294977903366089
+Cc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1,-1.076520323753357
+Cc1cc(I)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0882080793380737
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.5176604986190796
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.07000732421875
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2Cl)CC1,-0.9577158689498901
+CC(C)(C)NCC1CCN(c2ccc(Cl)c(F)c2)CC1,-0.828577995300293
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0339282751083374
+O=C(Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1,-1.449067234992981
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cnc2[nH]ncc2c1,-0.9020898342132568
+COc1ccc(NC(=O)c2cc(O)nc3ccccc23)c(Cl)c1,-0.8124461770057678
+O=C(NC[C@H](O)C1CCCCC1)Nc1ccccc1O,-1.578864336013794
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.203738808631897
+O=C(Nc1ccc(NCCO)cc1)c1ccccc1O,-1.617557168006897
+O=C(c1ccc(F)cc1)N1CCC([C@@H](O)c2ccccc2)CC1,-1.0987582206726074
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.404013991355896
+Fc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1,-1.4089312553405762
+CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-0.9218676686286926
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0424644947052002
+CCc1ncc(C(=O)NCc2ccc(Br)cc2)o1,-1.4847958087921143
+CC(C)[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-0.8734002113342285
+CC(=O)Nc1ccc(OCC2CCCCC2)cc1,-1.686091661453247
+O=C(c1ccc(CN2CCOCC2)cc1)N1CCN=C(O)C1,-1.516957402229309
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc([O-])cc1,-1.398481011390686
+CC(C)(C)C(=O)Nc1ccc(CN2CCCC2=O)cc1,-1.4335821866989136
+Cn1cc(C(=O)NCc2ccc(N)cc2)c2ccccc21,-1.2000961303710938
+C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-1.035098910331726
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.903611421585083
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0008302927017212
+CCOc1ccc(C(=O)N[C@@H]2CC[NH+](C)C2)cc1,-1.6271685361862183
+Cc1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1,-0.8730497360229492
+COc1cccc(C(=O)NCc2cc(Br)no2)c1,-1.5429399013519287
+Cc1nc(N2CC[C@H](NC(=O)C3CCCCC3)C2)sc1C,-0.7876888513565063
+Fc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.5037176609039307
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.019281029701233
+CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1,-1.3363157510757446
+CC(C)N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.0049328804016113
+O=C(NC1CCCCCC1)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1584384441375732
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9986050128936768
+CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4189252853393555
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9582025408744812
+CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3541237115859985
+Nc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0169440507888794
+COc1cc(Br)ccc1NC(=O)[C@H]1CCOC2(CCC2)C1,-1.3265973329544067
+Cn1cc(N2CC[C@@H](NC(=O)c3ccc(Br)cc3)C2)cn1,-0.9961501359939575
+CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1,-1.4610008001327515
+C[NH+]1CCCC[C@H](C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1,-1.4492228031158447
+c1ccc(N2CCCC2CNCC2CCCC2)cc1,-1.666719913482666
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12,-0.5724778771400452
+O=C(Nc1ccc(C2CCCCC2)cc1)c1c(F)cccc1F,-0.8436368703842163
+O=C(NCc1ccc(O)nc1)NC1CCCCC1,-1.6768234968185425
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2F)cc1,-0.9528821110725403
+CC(C)[NH+]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0710757970809937
+c1ccc(C[NH+]2CCOC[C@H]2c2noc(C3CCCCC3)n2)cc1,-1.2635959386825562
+CC(N=C(O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-0.9732193350791931
+CCN1CCN(Cc2ccccc2OC(C)C)CC1,-1.6440705060958862
+Cc1ccc(COCC(O)=NCc2ccc(Cl)cc2)cc1,-1.5085316896438599
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5158154964447021
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.033920407295227
+Cc1cccnc1NC(=O)N1CCC(c2ccc(O)cc2)CC1,-1.0156205892562866
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0803316831588745
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2426847219467163
+C[C@H]1Cc2ccc(CNC(=O)c3ccccc3F)cc2C1,-1.0561386346817017
+CN(Cc1nccs1)C(=O)Nc1ccc(N)cc1,-1.432845950126648
+CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Br)cc1,-1.11090886592865
+O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ncccc2Cl)CC1,-0.9363601207733154
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8759751319885254
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1014306545257568
+O=C(Cc1ccccc1O)NC1CC[NH+](C2CCCCC2)CC1,-1.4817650318145752
+CC1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1,-1.3065204620361328
+Oc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)nc1,-1.1435890197753906
+[NH3+][C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1020108461380005
+Cc1ccc(NCc2nnc(-c3ccc(F)cc3)o2)c(F)c1,-0.9117856025695801
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8525056838989258
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.2570858001708984
+Fc1ccc(COc2ccc(C3CCCCC3)cc2)cc1Cl,-1.0122036933898926
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023247241973877
+O=C(Nc1cccc(-c2ccccc2F)c1)c1cccc(F)c1,-1.1424379348754883
+O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCCC1,-1.2439874410629272
+Cc1nc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc2ccccc12,-0.5259009003639221
+C[NH+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1,-0.7963926196098328
+C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3Cl)CC2)C1,-0.90529465675354
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0141488313674927
+CC(C)(CC(=O)NCc1ccc(Br)nc1)c1ccccc1,-1.34486985206604
+O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.9861654043197632
+O=C(Cc1nc2ccc(Cl)cc2s1)NCc1ccccc1,-1.0278842449188232
+O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.3392949104309082
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.967788577079773
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(I)cc2)C1,-1.2098785638809204
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9353036880493164
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.2173101902008057
+O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1F,-1.3594602346420288
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)nc1,-1.0382304191589355
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2428810596466064
+O=C([C@@H]1CCCC2(CCCCC2)C1)N1CCN(c2ccc(F)cc2)CC1,-0.9125047326087952
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531734704971313
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-1.0067344903945923
+O=C(NCC1CCCCC1)[C@H]1CCO[C@H]1C1CC1,-1.6118221282958984
+O=C(C[NH+]1CCOCC1)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.4847497940063477
+O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8371308445930481
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1531081199645996
+C[C@@H]1CCCN(C(=O)NCCCCC(=O)N2CCCCC2)C1,-1.5084948539733887
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9584910273551941
+C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1694215536117554
+Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C)c2)c(C)c1,-1.1856616735458374
+O=C(Cc1ccsc1)Nc1nnc(-c2ccc(Br)cc2)s1,-0.9264450669288635
+Cc1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1,-1.2344181537628174
+CC(=O)N1CCC(NC(=O)c2ccc(I)c(F)c2)CC1,-0.8450653553009033
+C[NH+]1CCC(N2CCCN(C(=O)Nc3ccccc3)CC2)CC1,-1.360751748085022
+O=C(NC[C@H]1CCc2ccccc2O1)c1ccc(Cl)cc1,-1.2503705024719238
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9667074084281921
+O=C(c1ccccc1)N(CCCBr)Cc1ccccc1,-1.535596251487732
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845818758010864
+C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1,-0.9871722459793091
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0137468576431274
+C[NH+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.99142986536026
+C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.4601736068725586
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(-c2ccc(Br)cc2)c1,-0.8974702954292297
+CCC[C@H](C)C(=O)NCc1noc(C2CC[NH+](C)CC2)n1,-1.105391263961792
+Cc1ccc(CNC(=O)c2ccc3ccn(C)c3c2)cc1,-1.3021513223648071
+CCOc1ccc([C@H](C)C(=O)NC2CSC2)cc1,-1.5716242790222168
+C[C@H]1CC[NH+](CC(C)(C)C)CN(C(=O)[C@@H]2CCC3(CCCC3)C2)C1,-1.0778536796569824
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6752010583877563
+O=C(CCc1ccc(Br)cc1)NCC[NH+]1CCC[C@H](O)C1,-1.466092586517334
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0919287204742432
+CC1(C)CC(CNC(=O)CCc2ccc(Br)cc2)C1,-1.5337498188018799
+Oc1ccc(-c2ccc(COc3ccccc3)cc2)cc1Cl,-1.4145400524139404
+C[NH+]1CCN(CCNC(=O)C(C)(C)c2ccccc2)CC1,-1.576953411102295
+CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.5279086828231812
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.085973858833313
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0768550634384155
+O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7649179100990295
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.068405270576477
+C[C@@H]1CN(C(=O)NC2CN(c3ccccc3Cl)C2)CCO1,-1.1401195526123047
+C[NH+]1CCC[C@@H](CNC(=O)CCCc2ccc(F)cc2)C1,-1.5188661813735962
+O=C(NCc1ccc(F)nn1)c1ccc2c(c1)OCCO2,-1.068655252456665
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5311577320098877
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1C,-1.529463291168213
+C[NH+]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1,-1.3206887245178223
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1140214204788208
+O=C([C@H]1CCC[NH2+]CC1)N1CCC(Cc2ccc(F)cc2)CC1,-1.1987186670303345
+COc1ccc(CN2CCC(O)(c3nc(C)no3)CC2)cc1,-1.3990857601165771
+Ic1ccc(-c2ccc(Cn3c4ccccc4c4ccccc43)cc2)cc1,-0.515622615814209
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2188100814819336
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0409430265426636
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.2937849760055542
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8627966642379761
+Cc1cccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)c1,-1.5080915689468384
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.069146752357483
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.253589153289795
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5313599109649658
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2n[nH]nc2c1,-0.8029969334602356
+O=C(NCC1CCCC1)C12CCCC1(C(O)=NO)CC2,-1.5838316679000854
+[NH3+]CCc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1,-1.503293514251709
+Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1,-1.1135780811309814
+COc1ccc(C(=O)NCCCc2ccccc2)cc1,-1.6256335973739624
+Fc1ccc(-c2ccc(NCc3cccc(Br)c3)cn2)cc1,-1.0332690477371216
+CC1(C)CC(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.528957486152649
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1,-1.3108246326446533
+C[C@H](CCc1ccc(F)cc1)NC(=O)c1cccc(Br)c1,-1.1650439500808716
+Cc1ccc(C(=O)N2CCC(Nc3ncccc3N)CC2)cc1,-0.9483928680419922
+Cc1ccc(Nc2ccc(Oc3ccc(N)cc3)cc2)cc1,-1.4379942417144775
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.111097812652588
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9544847011566162
+O=C(Nc1ncccn1)N1CCN(c2cc(F)ccc2F)CC1,-0.763364851474762
+NS(=O)(=O)c1ccc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)o1,-1.111045241355896
+Cn1nc2ccc(C(=O)NCc3cccc(O)c3)cc2n1,-1.1356174945831299
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4287734031677246
+CC[C@](C)(O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5795282125473022
+CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2Cl)CC1,-1.0606893301010132
+C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)CCN1c1ccccc1,-0.9898629188537598
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.1098737716674805
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2990150451660156
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1335086822509766
+Cc1cc(Cl)ccc1C(=O)N1CC[NH2+]C[C@@H]1Cc1ccccc1,-1.0501784086227417
+CCCOc1ccccc1CNc1ccc(C)cc1,-1.6286150217056274
+CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5573759078979492
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485503792762756
+CC(=O)N1CCC[C@H](NC(=O)c2ccc(N)c(F)c2)C1,-1.0084537267684937
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0375515222549438
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl,-0.9011107087135315
+O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1016206741333008
+Cc1c(CNCc2ccccc2)cccc1S(N)(=O)=O,-1.5513525009155273
+FC(F)(F)c1ccc(CN2CCCC2c2ccccc2)cc1,-1.238850474357605
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9629342555999756
+Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795722246170044
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.105890154838562
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.189009189605713
+Cc1ccc(C(=O)N2CC[C@]3(COCCN3c3ccccc3)C2)c(F)c1,-0.9241735339164734
+CCOc1ccc(NC(=O)c2cc(Br)co2)cc1,-1.5371226072311401
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3292129039764404
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2591794729232788
+Cc1ccc(C(Nc2ccccc2)c2ccc(C)cc2)cc1,-1.4075360298156738
+CC(C)C(=O)Nc1ccc(Oc2ccc(F)cc2Br)cc1,-1.019466757774353
+O=C(NC1CCCCC1)N1CCN(C2CCOCC2)C(=O)C1,-1.293297529220581
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1F,-0.9290363788604736
+O=C(NCCc1ccc(F)cc1)c1c(F)cc(Br)cc1Cl,-0.6056398749351501
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0276672840118408
+CC1(C)CC[C@H](C(=O)N[C@@H]2CCO[C@H]2C2CCOCC2)C1,-1.5017664432525635
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.1569689512252808
+O=C(Cc1cccc(Br)c1)Nc1ccc(N2CCOCC2)cc1,-1.3068808317184448
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.1379082202911377
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.578158974647522
+Cc1cccc(N2CCN(C(=O)NC3CCCCC3C)CC2)c1,-1.0401431322097778
+O=C(NC1CCC(F)(F)C1)c1ccn(C2CCCCC2)n1,-1.1193318367004395
+Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.190919041633606
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2)n1,-1.1847336292266846
+O=C(CCc1ccc(Cl)cc1)NCc1ccc(Br)cc1O,-1.0853400230407715
+C[NH+]1CCN(c2ccccc2)[C@@H](NC(=O)c2ccccc2Cl)C1,-0.9811612963676453
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3381108045578003
+Cc1cc(N2CC[NH+](C)CC2)ccc1C(=O)NC1CCCCC1,-1.0205529928207397
+Cc1nc2cc(NC(=O)Nc3ccc(N)cc3)ccc2o1,-1.1662158966064453
+O=C(CCOc1ccc(Br)cc1)Nc1ccc(Cl)c(F)c1,-1.0821760892868042
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C)cc1,-1.1539626121520996
+CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)c2cccc(I)c2)C1,-1.1090584993362427
+C[NH+]1CCN(C(=O)C2CC[NH+](CCc3ccccc3)CC2)CC1,-1.3758893013000488
+C[NH+]1CCN(c2ccc(F)c(NC(=O)c3ccccc3)c2)CC1,-1.072872281074524
+Cc1ccc(C(=O)CCCNC(=O)c2ccc(I)cc2)cc1,-1.3778581619262695
+O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ccc2c1,-1.3366621732711792
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3751593828201294
+Cc1cc(C)cc(CCNC(=O)N2CCCC[C@H](O)C2)c1,-1.4015618562698364
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ncc2c1,-0.8582003116607666
+COc1ccc(-c2ccc3c(c2)C[NH+](CC2CCOCC2)C3)cc1,-1.290337324142456
+O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1766221523284912
+c1ccc(-c2ccc(Cn3ccnc3-c3ccccc3)cc2)cc1,-1.2719804048538208
+Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)no1,-1.0331186056137085
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8247921466827393
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.6808152198791504
+Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1,-1.0602842569351196
+O=C(Nc1ccc(-c2ccccc2O)cc1)c1cncc(Cl)c1,-0.9999072551727295
+C[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1C,-1.453719973564148
+OC(=NC1CCCC1)N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1,-1.2102009057998657
+COc1ccc(C(=O)NC2CC2N=C(O)N2CCCC2)cc1,-1.2743902206420898
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0555835962295532
+O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,-1.4053795337677002
+C[C@H]1C[NH+](Cc2ccc(N)cc2)CCN1CC1CCCCC1,-1.415605902671814
+O=C(Nc1ccccc1)c1ccccc1N1CCCC[C@@H](O)C1,-1.371775507926941
+Cc1nn(C)c2cc(C(=O)NCC3CCOCC3)ccc12,-0.9598549604415894
+Cc1[nH]cnc1C(=O)N1CC[NH+](CCc2ccccc2)[C@H](C)C1,-1.0127196311950684
+Cc1nc2cc(C(=O)NCc3ccc(Br)cn3)ccc2o1,-0.870465874671936
+Cc1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)no1,-1.1464956998825073
+O=C1C[C@H](NC(=O)c2cccc(-c3ccccc3)c2)CCN1,-1.3533222675323486
+O=C(NCc1ccc(F)c(O)c1)c1cc2ccccc2o1,-1.1799445152282715
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8887889981269836
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9132237434387207
+Clc1ccc(CNc2ccc(N3CCCCC3)cc2)cc1Br,-0.9455810785293579
+Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2477456331253052
+Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)on1,-1.2145577669143677
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1C,-0.5410677194595337
+Nc1cc(F)ccc1CNC(=O)CCc1ccc(Br)cc1,-1.0611573457717896
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212522268295288
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502577304840088
+Cc1nn(C)cc1C(=O)N1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1,-0.7372164726257324
+Cc1ccccc1NC(=O)c1cc(I)ccc1-c1ccccc1,-0.9243348240852356
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689337015151978
+CC(C)(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCCO2)CC1,-1.5452920198440552
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0716111660003662
+CC(C)(O)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.6241295337677002
+Cc1ccc(CCCC(=O)NCc2ccc(Br)cc2)cc1,-1.4601354598999023
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1[O-],-1.276991367340088
+COC1CCN(C(=O)CCC(=O)Nc2ccc(C)nc2)CC1,-1.3844308853149414
+CC1(C)CCC[C@H]1C(=O)NCc1ccc2c(c1)OCCO2,-1.2942304611206055
+COc1ccccc1NCc1ccc(C(C)C)cc1,-1.6098815202713013
+C[NH+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1,-1.0339454412460327
+Cc1cc(NC(=O)c2ccco2)n(-c2ccc(F)cc2)n1,-1.2586287260055542
+CCNC(=O)C1CCN(C(=O)c2ccccc2)CC1,-1.610877275466919
+CN1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1=O,-1.3123177289962769
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.282680869102478
+O=C(Nc1cc(F)ccc1F)c1ccccc1-c1ccccc1,-1.091783046722412
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2306849956512451
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)C1,-1.1166189908981323
+COc1ccc(C(=O)NCc2cc(C)on2)cc1,-1.6118178367614746
+Cc1ccc(S(=O)(=O)NC(=O)CCc2ccc(F)cc2)cc1,-1.5198249816894531
+O=C(NCc1ccc(Br)cc1)N1Cc2ccc(O)cc2C1,-1.066935658454895
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1,-0.9741971492767334
+O=C(Nc1ccccc1-c1ccc(F)cc1)[C@@H]1CC[NH2+]C[C@H]1O,-1.051815390586853
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3806324005126953
+COc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc1,-1.3168810606002808
+O=C(N[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1F,-1.0401127338409424
+COc1ccc(C(=O)NCc2cnc(C)s2)cc1,-1.3980109691619873
+C[C@]1(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)CCOC1,-1.3396562337875366
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.2187916040420532
+O=C1CCC[C@@H](NC(=O)[C@H]2CCC[C@@H](c3ccccc3)C2)C1,-1.2643308639526367
+c1ccc(CNc2nc(-c3ccccc3)c3ccccc3n2)cc1,-0.9709785580635071
+CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.4131847620010376
+CCc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5381953716278076
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8921012282371521
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0855144262313843
+CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5300651788711548
+Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)cc2F)cc1,-0.9241922497749329
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1096549034118652
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2Cl)CC1,-0.9169713258743286
+CN(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1114156246185303
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1024128198623657
+CC(C)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(Br)cc1,-1.1296008825302124
+CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5108708143234253
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)nc1,-1.1475621461868286
+Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl,-1.2554608583450317
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.0930458307266235
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2621386051177979
+O=C(Nc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.153628945350647
+O=C(NCCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1,-1.4842497110366821
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1I,-0.9456832408905029
+O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,-1.436298131942749
+CC(C)C(N)C(=O)c1ccc(NCc2ccccc2)cc1,-1.4001965522766113
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1877360343933105
+O=C(Nc1ccc(F)cc1)[C@H]1CC[C@H]1c1ccc(Cl)cc1,-0.9861133098602295
+C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.2072852849960327
+CC[C@H]1CN(C(=O)NC[C@H]2CC23CCC3)CCO1,-1.6192327737808228
+O=C(N[C@H]1CC12CCOCC2)C1CCN(c2ccccc2)CC1,-1.4088956117630005
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0389764308929443
+CCNC(=O)Nc1ccc(N2CCCNC2=O)cc1,-1.5211570262908936
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(C(F)(F)F)cc1,-0.8997347950935364
+Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1O,-1.3594845533370972
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9169375896453857
+O=C(CC1COC1)Nc1ccc(CC2CC2)cc1,-1.6624411344528198
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(I)cc2)C1,-1.0769022703170776
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146459817886353
+O=C(CCc1ccccc1)Nc1ccccc1-c1ccccc1,-1.5117963552474976
+COc1ccsc1C(=O)NCc1cccc(C)c1,-1.5756242275238037
+Cc1nnc(N2CC[C@H](CNC(=O)C(C)(C)C)C2)s1,-0.9492412209510803
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3001012802124023
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874286651611328
+COC(=O)c1ccc(NC(O)=NCc2ccc(Cl)cc2)cc1,-1.4829100370407104
+Cc1cc(F)ccc1NC(=O)N1CCC(C2CCCCC2)CC1,-0.9784976243972778
+CC(C)Oc1ccc(NCc2ccccc2)cc1O,-1.613777995109558
+C[C@H]1CC[C@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.0413326025009155
+Cc1ccc(C2CCCN(C(=O)NCC(C)(C)C)C2)cc1,-1.2741791009902954
+Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3F)C2)c1,-1.1411752700805664
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.44022798538208
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cn1,-1.131049633026123
+Nc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1384468078613281
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cl)c1,-0.9689361453056335
+Cc1ccc(C[NH+]2CCC[C@H](Cc3ccccc3)C2)cc1O,-1.5268806219100952
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.129109501838684
+CN1CCN(c2ccc(NC(=O)N3CCOCC3)cc2)C1=O,-1.26270592212677
+Fc1ccc(NCc2ccc(C3CCCCC3)cc2)cc1Cl,-0.9557402729988098
+O=C(Nc1ccc(Br)cc1)N1CCO[C@@H](c2ccccc2F)C1,-1.142335295677185
+Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cc1,-1.5312724113464355
+Cc1cc(NCc2ccccc2F)n(-c2ccc(Cl)cc2)n1,-0.8292427062988281
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0953402519226074
+Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC[C@@H]3C)C2)cc1,-1.0775851011276245
+COc1cc(Cl)ccc1C(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9146182537078857
+Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1,-0.8143603205680847
+Cn1nc(C(=O)N2CCC(c3ccc(F)cc3F)CC2)c2ccccc21,-0.217738077044487
+O=C(Cc1ccc2[nH]c(O)nc2c1)NCc1ccccc1,-1.3805216550827026
+C[C@H]1CC[NH+](C)C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-1.0162349939346313
+O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1637805700302124
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2ccoc2c1,-1.203313946723938
+C[C@H]1C[NH+](C)CC[C@@H]1NC(=O)c1ccc(N2CCCCC2)nc1,-1.0496587753295898
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3216054439544678
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.5944811105728149
+O=C(NCc1cccc(Cl)c1)N1CCOC2(CCCC2)C1,-1.5138096809387207
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1,-1.0978745222091675
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.4052127599716187
+O=C(NC1CC(c2ccccc2)C1)c1ccc(Br)c(F)c1,-0.9607468843460083
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.830224871635437
+O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)OCO2,-1.4023025035858154
+Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1240671873092651
+CCOc1ccc(NCc2ccc(Cl)cc2Br)cc1,-1.3510574102401733
+CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.007822871208191
+O=C(Nc1nnc2ccccn12)c1ccc(N2CCCC2)cc1,-0.9710911512374878
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5004547834396362
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565203428268433
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3751587867736816
+COc1cccc(OCc2ccc(S(N)(=O)=O)cc2)c1,-1.5605868101119995
+O=C(N[C@@H]1CC[C@@H](F)C1)N1CCC[C@H]1c1ccc(F)cc1,-0.9960825443267822
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.370518684387207
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.0848934650421143
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9180697798728943
+Cc1ccc2nc(CC(=O)NCc3ccccc3)sc2c1,-1.1607837677001953
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.452510952949524
+Cc1cc(Cl)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.0780824422836304
+C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1c1ccccc1,-1.064001202583313
+COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1,-1.026689052581787
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9986351132392883
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9000149369239807
+CC(C)(NC(=O)c1ccc(Cl)cc1)C(O)=Nc1cccc(Cl)c1,-0.8699491620063782
+O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2ccccc2)C1,-0.8403398990631104
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0573903322219849
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2714459896087646
+O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1,-1.1018036603927612
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133929252624512
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2o1,-1.087496042251587
+Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)c1,-1.0941365957260132
+CC(C)(O)CNC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.4772855043411255
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1324193477630615
+Cc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.556705117225647
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0806344747543335
+Cc1cccc(N2CCNC2=O)c1,-1.8153259754180908
+O=C(Nc1ccnn1-c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0624552965164185
+Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1,-1.044920563697815
+Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.3430958986282349
+O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CCCCN1C(=O)[O-],-0.7915760278701782
+CC(C)N=C(O)CNC(=O)c1ccc(N2CCOCC2)cc1,-1.3786191940307617
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(Br)cc4)CC3)ccc2n1,-0.5438966751098633
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-1.0227526426315308
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cn1,-0.9802283048629761
+CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.4304018020629883
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.336997151374817
+C[C@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2811968326568604
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1972204446792603
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.064284086227417
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023231744766235
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.036726474761963
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1790679693222046
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1689093112945557
+C[C@H](C(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1,-1.3586657047271729
+CC(=O)N[C@H](CCC(F)(F)F)C(=O)NC1CCCCC1,-1.368695855140686
+O=C(Nc1ccc(C2CCOCC2)cc1)N1CCN=C(O)C1,-1.369848608970642
+O=C(c1ccc(I)cc1)N1CCNCC1,-1.5251630544662476
+CC1(N)CCN(C(=O)Nc2cc(-c3ccccc3)on2)C1,-1.3859329223632812
+O=C(Cc1ccn[nH]1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.3668925762176514
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.270391821861267
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.500593900680542
+O=C(Nc1ccccc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O,-1.1452885866165161
+Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1,-1.097342848777771
+O=C(c1ccc(C2CC2)cc1)N1CCN(c2ccccc2)CC1,-1.1341067552566528
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2O)CC1,-1.2547146081924438
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0561299324035645
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9790250062942505
+N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1,-1.354134440422058
+COc1cccc(Cc2nc(-c3ccc(C)c(F)c3)no2)c1,-1.003358244895935
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2853419780731201
+N#Cc1ccc(C(=O)NCc2ccc(Cl)c(Br)c2)cc1,-0.9459430575370789
+Cn1nc2ccccc2c1CNC(=O)c1ccc(O)cc1,-1.0199689865112305
+O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(F)c(I)c1,-1.0235615968704224
+CC1(C)CC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.4943060874938965
+O=C(O)Cc1ccc(NC(=O)c2ccc(O)cc2)cc1,-1.559145212173462
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1430364847183228
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-1.0696357488632202
+O=C(Nc1ccc(Br)cc1)N[C@@H]1CCOC2(CCCC2)C1,-1.4749982357025146
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4178587198257446
+O=C1CCCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.09552800655365
+Fc1ccc(N2CCOCC2)c(Cl)c1,-1.5565236806869507
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9653692245483398
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9592653512954712
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCSCC2)cc1,-1.4767510890960693
+Cc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0102157592773438
+Cc1nc(C)c(C[NH+]2CCCC[C@H]2NC(=O)CC(C)C)s1,-0.7823735475540161
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1697312593460083
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0272315740585327
+Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.5026192665100098
+C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.042299747467041
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2779276371002197
+Clc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1219807863235474
+c1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1,-1.224774956703186
+Cc1cc(NC(=O)c2cccs2)n(-c2ccc(Cl)cc2)n1,-0.943048357963562
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(I)cc1,-1.1992820501327515
+CC1(O)CC(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)C1,-1.505474328994751
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.185249924659729
+O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9914774298667908
+[NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9393925070762634
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2s1,-0.9592679738998413
+CC1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3393259048461914
+Cc1nc2ccc(C(=O)NCC[NH+]3CC[C@@H](C)C3)cc2s1,-0.9113359451293945
+COc1cccc(C(=O)NCc2cc(C)on2)c1,-1.6109901666641235
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.9887357950210571
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2,-1.098689317703247
+Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@H](F)C2)cc1,-1.1954748630523682
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2969831228256226
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1456036567687988
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9562448263168335
+Cc1ccccc1CNCc1ccc(C2CC2)cc1,-1.5383387804031372
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.205872654914856
+CC1(C)CCC[C@H]1C(=O)N1CC[NH+](CCC2CCOCC2)CC1,-1.2941826581954956
+CC(C)COc1cccc(CNc2ccccc2)c1,-1.6686524152755737
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(O)(c2ccc(O)cc2)CC1,-1.1219271421432495
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0010982751846313
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.200388789176941
+O=C(Cc1ccccc1F)NC1CC[NH+](C2CCCCC2)CC1,-1.2046291828155518
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(N)n1,-0.8440547585487366
+CC[NH+]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2O)CC1,-0.37640342116355896
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0390464067459106
+O=C(Nc1ncccc1F)c1ccc(-c2ccc(F)cc2)nc1,-0.8253912925720215
+O=C(NCc1ccc(F)nc1)Nc1ccccc1,-1.6779543161392212
+Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)cc1)CC2,-0.8221551179885864
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9610229134559631
+CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,-1.481865406036377
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1306935548782349
+Cc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)o1,-1.2346410751342773
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389281511306763
+O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1,-1.2487308979034424
+CC1(C)C[NH+](CCNC(=O)c2ccc(F)cc2F)CCO1,-1.260002851486206
+CC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1,-1.0856989622116089
+O=C(Cc1ccccc1F)NC1CC[NH+](C2CCCCC2)CC1,-1.1728882789611816
+Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9315880537033081
+O=C(NC1CCCCC1)C(=O)N1CCC(c2ncc[nH]2)CC1,-1.2032455205917358
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(Br)cc3)C2)cc1,-1.1899968385696411
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0227266550064087
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0866302251815796
+Cc1ccc(NC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1305090188980103
+C[NH+]1CCC[C@@H](CNC(=O)CCc2ccc(F)cc2F)C1,-1.1613411903381348
+C[C@@H]1COC[C@H](C)N1c1ccc(NC(=O)c2ccccc2)cc1,-1.2493963241577148
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(O)ccc1F,-1.0049570798873901
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2o1,-1.1776784658432007
+C[NH+]1CCC[C@H]1C(=O)NCCOc1ccccc1,-1.6787687540054321
+CCOc1ccc(NC(=O)N2CCCCC[C@H]2C)cc1,-1.5518842935562134
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1907011270523071
+Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)O)CC2)cc1,-1.531015396118164
+Cc1ccc(OC2CCN(C(=O)C3CCC3)CC2)cc1C,-1.2038347721099854
+C[C@@H]1CCN(C(=O)NC2CCN(c3ccccc3)CC2)[C@H](C)C1,-1.0704289674758911
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1585274934768677
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3739404678344727
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccn1,-1.0751662254333496
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2nc(C)no2)cc1,-1.0568217039108276
+Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-1.0749781131744385
+COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.6418781280517578
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)CCN1C,-1.3194350004196167
+C[C@@H](O)CCN1CCN(C(=O)C(=O)Nc2ccccc2)CC1,-1.5562748908996582
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.059962272644043
+O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(CO)cc1,-1.5267326831817627
+[NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2)C1,-1.4723938703536987
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.355833888053894
+N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)no2)cc1,-1.1399531364440918
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9582422971725464
+Cc1ccc(NCc2cccc(-c3ccccc3)c2)cc1Br,-1.1240897178649902
+O=C(NC[C@H](O)C1CCCCC1)N1CCCC2(CCC2)C1,-1.5346945524215698
+Cc1ccc2nc(CC(=O)NCc3ccccc3)sc2c1,-1.1610444784164429
+O=C(Nc1ccccc1)C(=O)N1CCC([NH+]2CCCC2)CC1,-1.4514291286468506
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.137597918510437
+NCC(CC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1,-0.7092928290367126
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.0028400421142578
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc([O-])cc1,-1.335402011871338
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3900716304779053
+CCNC(=O)c1cc(C)nn1Cc1ccccc1,-1.516357421875
+CC1CCCCC1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.0455340147018433
+Cc1ccc(NCc2cc(Cl)ccc2-c2ccccc2)cc1,-1.292070984840393
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.2977163791656494
+Nc1cc(NCc2ccc(Cl)c(F)c2)ccc1N1CCCC1,-0.7791194319725037
+O=C1OCCN1c1ccccc1F,-1.7607531547546387
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0788849592208862
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9054450392723083
+Cn1cc(CC(=O)NCc2ccccc2)c2ccccc21,-1.4076422452926636
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1419540643692017
+COc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1,-0.9852232933044434
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCC(O)CC1,-1.4787174463272095
+CC(C)c1ccccc1NC(=O)CCc1ccc(I)cc1,-1.1721844673156738
+Cc1cccnc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.900946319103241
+O=C(C[NH+]1CCC2(CCCCC2)C1)NCc1ccccc1,-1.6225606203079224
+O=C([C@H]1CC2(CCCCC2)CCO1)N1CCN(c2ccc(F)cc2)CC1,-1.1274449825286865
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[NH+](C2CCCC2)CC1,-1.0180931091308594
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9487071633338928
+CCNC(Cc1ccc(Br)cc1F)c1ccccc1,-1.2110729217529297
+Cc1c(Cl)cccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.903988778591156
+O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(Br)cc1,-1.1902419328689575
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2nc[nH]c2c1,-1.0588855743408203
+O=C(Nc1ccc(F)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.108515739440918
+CCc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9287278652191162
+Cc1ccc(OCc2ccc(Cl)cc2)cc1,-1.7076622247695923
+Cc1ccc(C)c(OCc2nnnn2-c2ccc(Cl)cc2)c1,-0.7951617240905762
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(Br)cc2)no1,-0.9998113512992859
+C[C@@H]1C[C@H](CNC(=O)Nc2ccccc2)CCO1,-1.6929543018341064
+NC1CCN(c2ccc(OCc3ccccc3)cc2)C1=O,-1.4089003801345825
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(N)cc2)CC1,-1.085494041442871
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.3539541959762573
+Cc1cc(C(=O)Nc2cc(C)on2)n(-c2ccccc2)n1,-1.1562836170196533
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5062326192855835
+COc1ccc(C(=O)NCc2nc(C)cs2)cc1,-1.4343183040618896
+O=C(NCc1cccc(Cl)c1)N1CCC2(CCOCC2)C1,-1.50550377368927
+Bc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9185495376586914
+Cc1cc(C(=O)Nc2cnn(-c3ccc(Br)cc3)c2)n[nH]1,-0.9449052214622498
+Oc1ccc(CN2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.29097318649292
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3861595392227173
+Cn1ncc2c1CC[C@@H](CNC(=O)CC1CCCCC1)C2,-1.0804266929626465
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700057744979858
+COc1ccccc1CC(=O)Nc1ccc2c(c1)CCO2,-1.4118423461914062
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0267664194107056
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0664469003677368
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0930026769638062
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0128167867660522
+Cc1cc(NCC2CCCCC2c2ccccc2)ccc1Br,-1.0355082750320435
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1863762140274048
+C[C@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.096712589263916
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-1.0364948511123657
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2372759580612183
+Cc1ccc(C(=O)N2CCN(c3nc4ccc(C)cc4n3C)CC2)cc1,-0.4394174814224243
+Cc1nc(C(=O)NCc2ccc3[nH]ccc3c2)ccc1Cl,-0.8017088174819946
+O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.0687593221664429
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600555181503296
+CC(C)CCC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.4064280986785889
+CC1(C)CC(O)CC1C(=O)NCc1ccc(Br)cc1,-1.3174924850463867
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4645813703536987
+C[C@@H]1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.385217547416687
+[NH3+][C@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.079427719116211
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730128645896912
+Cc1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.0299206972122192
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0436738729476929
+Cc1ccc(C[C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1,-1.378213882446289
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1945160627365112
+O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8537795543670654
+CCCCCCCCCCCCCCC(=O)Nc1ccc(OCCC)cc1,-1.5452685356140137
+O=C(c1ccc(F)cc1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1,-1.1578490734100342
+Nc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.0878416299819946
+O=C(CCCF)NC1CCN(C(=O)Cc2ccccc2)CC1,-1.5613754987716675
+Nc1ccc(CCNC(=O)N2CCC3(CCO3)CC2)cc1,-1.5427879095077515
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1543645858764648
+Cc1ccc(C(=O)NC(C)Cc2ccc(F)cc2)c(C)c1,-1.0897094011306763
+Cc1ccc(CSc2nnc(C)n2-c2ccccc2)c(C)c1,-0.8081333041191101
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1676456928253174
+O=C1COc2ccc(C(=O)N3CCCC[C@H]3c3ccccc3)cc2N1,-0.9094979763031006
+Clc1ccc(NCc2ccc(Br)cc2)c(-c2ccccc2)c1,-1.0081074237823486
+O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.036510944366455
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0872864723205566
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c(F)c2)C1,-0.8592641353607178
+O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1,-0.9157311320304871
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.2790374755859375
+CC(C)[NH+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1,-1.1396527290344238
+COc1ccccc1CNCC(=O)N1CCCCC1C,-1.511388897895813
+Cc1ccc(CNC(=O)CN=C(O)N2CCCc3ccccc32)cc1,-1.032954216003418
+CC1CC[NH+](CCNC(=O)Cc2ccc(F)cc2Br)CC1,-1.0371086597442627
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8189802169799805
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0422316789627075
+COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)cc1OC,-1.3252668380737305
+O=C(c1ccc2c(c1)CCCC2)N1CCC(c2cc(F)ccc2F)CC1,-0.4129748046398163
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.2953381538391113
+C[C@H]1C[C@@H]([NH3+])C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1296628713607788
+O=C(NCCCC1CCCCC1)NC1CC(O)C1,-1.6878857612609863
+Cc1ccc(OCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.3055419921875
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.0711522102355957
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1,-1.0444649457931519
+Cc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCCO2)cc1,-1.1857813596725464
+CCOS(=O)(=O)C1CCN(Cc2ccc(C)cc2)CC1,-1.567368507385254
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.089635968208313
+Cc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.1642359495162964
+O=C(NC1CCC(c2ccccc2Cl)CC1)c1ccc(O)cc1,-0.9820625185966492
+Cc1cccc(N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)c1,-1.1653530597686768
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.140659213066101
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CC2CNCC2C1,-1.1611698865890503
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.018320083618164
+Cc1ccc([C@@H]2CCCN2C(=O)C(=O)OC(C)C)cc1,-1.357561707496643
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.236971378326416
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9860427975654602
+Cc1ccc(N)c(C(=O)NC[C@H]2CCC3(CCCC3)O2)c1,-1.4297068119049072
+O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1c1ccccc1,-1.4943279027938843
+CC(C)N1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0569183826446533
+O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3248631954193115
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9563350677490234
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8860241770744324
+Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.138770580291748
+O=C(Nc1ccc(F)cc1Cl)c1ccccc1C1CCCCC1,-0.7972812056541443
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4860799312591553
+Nc1cccc(C[C@@H]2CCC[NH+](Cc3ccc(Br)cc3)C2)c1,-1.1897945404052734
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.219435691833496
+O=C(c1ccccc1)N1CCCN(Cc2ccc(O)cc2)CC1,-1.4578514099121094
+O=C(O)Oc1ccc(OCC2CCCCC2)cc1,-1.6723694801330566
+Cc1oc2ccccc2c1C(=O)NCc1ccc(O)cc1,-1.2220077514648438
+O=C1CCCN(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1,-1.3083723783493042
+Cc1nc(-c2ccccc2)ccc1NC(=O)c1ccc(F)cc1,-0.9417353868484497
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0753405094146729
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0258485078811646
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4220679998397827
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.486826777458191
+C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccccc3O)C2)CC1,-1.1468510627746582
+CN(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.3547258377075195
+Cc1ccc(C(=O)NCCc2ccc(Cl)cc2F)cc1F,-0.8054326176643372
+C[NH+]1CCC[C@@H]([NH+]2CC[C@@H](NC(=O)[C@@H]3CC34CCC4)C2)C1,-1.1855474710464478
+O=C(c1ccc(Cl)cc1)N1CC(O)(Cc2ccccc2)C1,-1.5444087982177734
+FC(F)(F)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)cc1,-1.0608137845993042
+Oc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.5248298645019531
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9471585154533386
+Cc1nc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)cs1,-0.6929439306259155
+CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[C@@H]2CCCCO2)cc1,-1.497210144996643
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2F)CC1,-1.0767110586166382
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2544275522232056
+O=C(COc1ccc(F)cc1)Nc1ccc2ncsc2c1,-1.3533215522766113
+Cc1ccc(-c2ccc(OCc3cccc(Cl)c3)cc2)cc1,-1.2829159498214722
+C[NH+]1CCN(c2ccc(CNC(=O)CCCCCF)cc2)CC1,-1.4735050201416016
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)cc1,-1.226792335510254
+Nc1ccc(CC(=O)Nc2ccc(N3CCCCC3)nc2)cc1,-1.233672022819519
+CN(C)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1,-0.9932406544685364
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.96732097864151
+CC(C)(C)C1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1,-1.045666217803955
+O=C(Cc1cccc(Br)c1)NCc1ccc2n[nH]nc2c1,-1.0703977346420288
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.0756003856658936
+Clc1ccc(OC2CCCN(Cc3ccccc3)C2)cc1Cl,-1.149328351020813
+CN(C)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1,-1.2426705360412598
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5028679370880127
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.154288649559021
+Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl,-1.1049902439117432
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.089250087738037
+CC(=O)N1CCC(C(=O)Nc2ccc(F)c(C)c2)CC1,-1.0668327808380127
+O=C(Cc1cc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.2516027688980103
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9968774318695068
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.5389361381530762
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)[nH]1,-1.351729154586792
+Cc1noc(CNC(=O)Nc2ccccc2F)n1,-1.426728367805481
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(O)nc1,-1.3206267356872559
+CCN1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.0610988140106201
+NC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1032166481018066
+COc1ccccc1C(=O)N1CCC(c2ccc(N)cc2)CC1,-1.0471107959747314
+CC1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1,-1.4193501472473145
+CC1CC[NH+](CCc2nc(Cc3cccc(Cl)c3)no2)CC1,-1.0994715690612793
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)sn3)C2)cc1,-1.0068691968917847
+C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1,-0.959412157535553
+O=C(Cc1ccc(Cl)cc1)N1CCC(Nc2ccccc2)CC1,-1.2692878246307373
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1282360553741455
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(N)c1,-1.0940910577774048
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5769035816192627
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3394089937210083
+O=C(NCc1ccccc1)N1CCOC[C@@H](C2CCOCC2)C1,-1.5260144472122192
+C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1,-1.328118920326233
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-1.0040348768234253
+O=C(NCc1ccc(Br)cn1)N1CCC2(CCCO2)CC1,-1.3539884090423584
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0385701656341553
+Cc1ccc(CNC(=O)Cn2ncc3ccccc32)cc1,-1.3081214427947998
+O=C(Nc1nc2ccccc2s1)N1CC[C@H](C2CCOCC2)C1,-0.9451702833175659
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.286794662475586
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0211961269378662
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1F,-0.827838122844696
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8479951620101929
+COc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc1,-0.9103951454162598
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.8855152726173401
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0156821012496948
+CC(=O)Nc1ccc(CNC2CCOCC2)cc1,-1.6759692430496216
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cl)co2)CC1,-1.265479564666748
+Cn1cc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)cn1,-1.471782922744751
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6559075117111206
+CCC(CC)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1,-1.19307541847229
+Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1F,-1.2131433486938477
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984020471572876
+C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(F)ccc2F)CC1,-0.6945629119873047
+Cc1nnc(NC(=O)N2CC[C@H](c3ccc(Br)cc3)C2)s1,-0.6997227072715759
+Cc1ccc(C(=O)N2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1,-1.2343450784683228
+C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1,-1.2422033548355103
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0595096349716187
+O=C(C[NH+]1CCC(c2ccccc2F)CC1)Nc1ccccc1,-1.3056179285049438
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617053270339966
+Cc1nnc(NC(=O)c2ccn(-c3cccc(F)c3)n2)s1,-0.7672762870788574
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.121767520904541
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3C)C2)cn1,-1.0993562936782837
+CC[C@H](C)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1,-1.0090490579605103
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5303282737731934
+Nc1cccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)c1,-1.0724513530731201
+O=C(Cc1ccccc1)NCc1cc2ccc(Br)cc2o1,-1.335150957107544
+Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(O)c1,-1.1645082235336304
+O=C(c1cccc2c1CC(O)=N2)N1CCN(c2ccc(F)cc2)CC1,-0.7010446190834045
+Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-0.9880292415618896
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cc(-c2ccccc2)on1,-1.1234004497528076
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.959504246711731
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3647736310958862
+Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.0718690156936646
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238650918006897
+O=C(Nc1ccccc1)c1ccc(OCCCF)cc1,-1.6643447875976562
+O=C(c1ccc(F)cc1)N1CCC([NH+]2CC[C@@H](c3ccccc3)C2)CC1,-0.8767590522766113
+CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.129097819328308
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248888731002808
+Fc1cc(C[NH+]2CCC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl,-1.0396558046340942
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0364593267440796
+Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4384384155273438
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-0.9989504814147949
+O=C(Nc1cccc(S)c1)N1CCCC[C@@H]1c1ccccc1Cl,-0.9020141959190369
+[NH3+]CCCn1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)n1,-0.9480429887771606
+CC[NH+]1CCCC[C@@H]1CNC(=O)c1cc(C)no1,-1.5572234392166138
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202211380004883
+CC(=O)N1CCC(NC(=O)c2ccc(C)c(F)c2)CC1,-1.040319800376892
+Cc1nnc(NC(=O)NCCc2ccccn2)s1,-1.348594307899475
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.9986863136291504
+Cc1ccc(-c2cc(N)nc(NCc3ccccc3)n2)cc1,-0.9816159009933472
+CC[NH+]1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9984957575798035
+Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C)[NH3+])CC2)c(F)c1,-1.066303014755249
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1I,-0.9999538064002991
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8608435392379761
+O=C(CCC1CCC1)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.2922650575637817
+CC[NH+]1CCC(CNC(=O)c2cc(Br)no2)CC1,-1.3271303176879883
+Cc1ccc(NC(=O)c2ccnn2-c2ccc(Cl)cc2)s1,-0.9347042441368103
+Cc1nnc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)s1,-0.934862494468689
+Cc1cc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)no1,-0.8877865076065063
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5691369771957397
+c1ccc(CN2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1,-1.3500449657440186
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1080498695373535
+Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0267781019210815
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1379070281982422
+O=C(NC[C@H]1CCOC2(CCCC2)O1)c1ccc(Cl)cn1,-1.5005487203598022
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)o1,-0.9209463596343994
+Cc1nc(NC(=O)NCCc2ccccc2)no1,-1.6429786682128906
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)nc1O,-1.1328792572021484
+Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2[nH]1,-0.9364302754402161
+Cn1cc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1,-1.4687656164169312
+CC(C)C[NH+]1CCC(NC(=O)C2CC3(CCCC3)C2)CC1,-1.5477423667907715
+O=C(COc1cccc(Br)c1)Nc1nc2ccccc2s1,-1.0655113458633423
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.23731529712677
+Cc1ncc(C(=O)N2CC[C@@H](Cc3ccc(Cl)cc3)C2)s1,-0.8517400622367859
+Nc1ccc(N2CCC(NC(=O)N3CCCCCC3)CC2)cc1,-1.2246416807174683
+O=C(NCc1ccc2[nH]c(O)nc2c1)c1cccc(F)c1,-1.1708301305770874
+Clc1ccc(C[NH2+][C@H]2CCCN(c3ccc(Br)cc3)C2)cc1,-1.0957047939300537
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502576112747192
+O=C(c1ccc(O)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.472644329071045
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2990102767944336
+C[C@]1(c2ccccc2Br)CCN(C(=O)NC2CCCCCC2)C1,-1.064767837524414
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2751985788345337
+O=C(Nc1scnc1C1CC1)N1CC2(CCOCC2)CO1,-1.3462347984313965
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2655726671218872
+Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1,-1.3752987384796143
+C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.3923661708831787
+C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCO1,-1.4686850309371948
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0236469507217407
+Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)c1,-1.45826256275177
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1I,-0.7823577523231506
+CCC1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-0.9999315738677979
+N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6499015092849731
+O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.906251072883606
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858137845993042
+Cc1ccc(C(=O)NC2CCN(c3cnn(C)c3)CC2)s1,-1.006135106086731
+O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5324132442474365
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9716259837150574
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9715812802314758
+C[C@H]1CN(C(=O)c2ccc(OC(C)(C)C)cc2)CCCN1,-1.3907299041748047
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5482630729675293
+O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCC1,-1.0192936658859253
+Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.0392682552337646
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cccc(Br)c2)cc1,-0.9831723570823669
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9814949035644531
+C[NH+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9616846442222595
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1040157079696655
+c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1,-1.1833542585372925
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccn2)CC1,-0.9222923517227173
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1456729173660278
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nccnc12,-0.37080949544906616
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138296127319336
+C[NH+]1CCN(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C1,-1.3571580648422241
+Cc1cccc(N2CC[C@H](NC(=O)c3cc(C)on3)C2)c1,-1.2307982444763184
+C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1,-0.7323364019393921
+Fc1cc(C[NH+]2CCC[C@H](Cc3ccccc3)C2)ccc1Cl,-1.114959716796875
+O=C(Nc1cc(-c2ccccc2)ccc1Cl)c1cccc(F)c1,-1.0745396614074707
+COc1cccc(N2CCN(C(=O)c3ccc(N)nc3)CC2)c1,-1.0135719776153564
+Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C)s2)cc1,-1.1237019300460815
+C[C@@H](NC(=O)N1CC[S+]([O-])[C@@H](C)C1)c1cccc(Cl)c1,-1.0223815441131592
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.4177179336547852
+CC(C)C[NH+]1CCC[C@@H](NC(=O)N2CCOC(C)(C)C2)C1,-1.522329330444336
+O=C(Nc1ccc(F)cc1N1CCCC1=O)c1ccccc1,-1.1185681819915771
+Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.5386139154434204
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.280838966369629
+CN(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1,-1.405098557472229
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0647777318954468
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3430421352386475
+C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1Cl,-0.815701425075531
+Cn1cc2c(n1)CN(C(=O)NCc1cccc(Cl)c1)CC2,-0.850311279296875
+O=C(c1cccc(F)c1)N1CCCC(Oc2ccccc2)CC1,-1.382590651512146
+CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2160691022872925
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.204935908317566
+CN1CC[C@@H](c2ccc(Cl)cc2)C1,-1.6948620080947876
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846336841583252
+O=C(Cc1ccccc1F)N[C@H]1CCOC[C@H]1c1ccccc1,-1.2967164516448975
+Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)c(C)c1,-0.9497470259666443
+O=C(CNC(=O)c1ccccc1)Nc1ccccc1,-1.669823169708252
+Nc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1,-1.3407447338104248
+CC1CCN(c2ccc(C(=O)NC3CCN(C)C3)cc2)C1,-1.2087278366088867
+CC(C)CNc1ccc(C(=O)N2CCCC(C)(O)C2)cc1,-1.5547257661819458
+C[C@@H]1CC[NH+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1C,-1.4907310009002686
+O=C(NC1CCN(c2ccc(Br)cc2Cl)CC1)c1ccccc1,-0.8213346004486084
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.8022308349609375
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCCC[C@H]1O,-0.9758383631706238
+C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4247493743896484
+CCOc1ccc(NC(=O)N2CCCCC[C@H]2C)cc1,-1.5507489442825317
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8889938592910767
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.264272928237915
+C[C@@H](O)CNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1,-1.0810823440551758
+O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8950602412223816
+Cc1cc(C(=O)Nc2cnn(C3CCCC3)c2)ccc1Br,-0.9162087440490723
+O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC[C@@H](O)C1,-1.5118368864059448
+CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CCCC)cc1,-1.4531670808792114
+Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(Br)cn1,-0.8369150161743164
+C[C@H]1CCCC[NH+]1C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1,-1.0205013751983643
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0610624551773071
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421321153640747
+CC1CC[NH+](CCNC(=O)CCc2ccc(O)cc2)CC1,-1.5562244653701782
+Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.2859091758728027
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2068257331848145
+Cc1cc(CNc2cccc(-c3ccccc3)c2)ccc1N,-1.2719168663024902
+O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc(Cl)cc1,-1.304136872291565
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Br)c1,-0.8604804277420044
+O=C(Cc1ccc(Cl)cc1)NC(=O)c1ccc([S-])cc1,-1.2684894800186157
+Cc1nc(NCc2ccc(I)cc2)cc(-c2ccccc2)n1,-0.8625320196151733
+O=C(CN1CCCC1=O)Nc1ccc(N2CCCCC2)cc1,-1.5351016521453857
+CC(C)COc1ccc(CNc2ccccc2)cc1,-1.6683751344680786
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9385215640068054
+Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.2039085626602173
+C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)cc2)[C@@H](C)CO1,-1.2976188659667969
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0803706645965576
+FC(F)(F)c1ccc(C[NH+]2CCC[C@H]2C2CCCCC2)cc1,-0.9872496128082275
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.95823073387146
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5076903104782104
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2813465595245361
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)n[nH]1,-1.211150884628296
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ncccc1Br,-1.1058611869812012
+C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3357669115066528
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2407200336456299
+Cc1cccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)c1,-1.3840936422348022
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(Cl)cc2)CC1,-0.8356559872627258
+O=C(c1ccc2ccc(F)cc2n1)N1CCN(c2ccc(Cl)cc2)CC1,-0.3939991891384125
+CC1(C)CCCC[C@H]1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.2049744129180908
+CC[NH+]1CCC[C@@H](C(=O)NCc2nc(C)cs2)C1,-1.286626935005188
+NC(=O)c1ccc(C(=O)N[C@@H]2CCC3(CCC3)C2)cc1,-1.4341942071914673
+Cc1cc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)no1,-1.182602047920227
+[NH3+][C@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.4465323686599731
+C[C@@H]1CC(=O)N(c2cccc(NC(=O)c3ccccc3)c2)C1,-1.2642849683761597
+CC1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.952237069606781
+CCNC(=O)Nc1ccccc1N1CCCCC1=O,-1.5248759984970093
+O=C1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.0633355379104614
+Cc1ccc(F)c(C(=O)N2CC[NH+](C[C@@H]3CCCOC3)CC2)c1,-1.0989453792572021
+O=C(Cc1ccc(O)cc1)NCc1cccc2[nH]ccc12,-1.3827179670333862
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3811732530593872
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9656966328620911
+CCOc1ccc(CCC(=O)N2CCCc3ccccc32)cc1,-1.236941933631897
+CS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)CC1,-1.416369915008545
+Cc1nnc(SCc2ccccc2F)n1-c1ccc(Cl)cc1,-0.6157823204994202
+Cc1cccnc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9154837131500244
+C[NH+]1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCCCC2)C1,-1.0751335620880127
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.477589726448059
+O=C(CN1C(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1,-1.0605418682098389
+C[NH+]1CC[C@@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5962001085281372
+Cc1cccc(C(=O)NC2CCN(C(=O)CCC[NH3+])CC2)c1,-1.484527826309204
+Cc1ccc(CNC(=O)C[C@H](C)c2ccc(F)cc2)cc1,-1.3402554988861084
+CC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CCC[C@H](C)C2)C1,-1.5951054096221924
+c1ccc(N2CCN(Cc3nc(C4CCCCC4)no3)CC2)cc1,-1.1666523218154907
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2363536357879639
+Cc1cc(NCc2ccc(Br)cc2)nc(C2CCCCC2)n1,-0.8360170125961304
+COc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1,-1.5640068054199219
+Fc1cccc(CNC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1780344247817993
+C[NH+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1,-1.1514666080474854
+CC1CCN(C(=O)C(=O)NCc2cccc([O-])c2)CC1,-1.5116643905639648
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.122918725013733
+Cc1cc(N)ccc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.1162197589874268
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1,-1.0299681425094604
+O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.347888469696045
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.182314157485962
+C[C@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1,-0.7883810997009277
+Fc1ccc(-c2ccc(COc3ccc(Br)cc3)cn2)cc1,-1.0530821084976196
+Cc1cccnc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.9364269375801086
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.34329092502594
+CCCCOc1cccc(C(=O)NC2CCCCC2)c1,-1.6114811897277832
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1832361221313477
+Cc1ncc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)s1,-0.887058675289154
+NS(=O)(=O)c1ccc(F)c(CNCc2ccccc2)c1,-1.5509876012802124
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9365339279174805
+CCCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1,-1.5593950748443604
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1077160835266113
+Cn1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)n1,-1.223725438117981
+O=C(c1ccc(F)cc1)N1CCN(C(=O)N2CCCC2)CC1,-1.0859171152114868
+O=C(Nc1ccc(O)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.2170612812042236
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.2555710077285767
+O=C(c1c(O)cccc1F)N1CCC(Cc2ccccc2)CC1,-1.1917532682418823
+Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0789909362792969
+Cc1ccc(C(=O)NCc2ccc3nc(C)sc3c2)cc1,-0.9323121309280396
+Cc1nnnn1-c1ccc(CNC(=O)CC(C)(C)C)cc1,-1.0039417743682861
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.9243851900100708
+Fc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)ccc1Br,-1.2343580722808838
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9421210289001465
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.44703209400177
+Cc1cc(NC(=O)c2cocn2)n(-c2ccc(Cl)cc2)n1,-1.0966649055480957
+Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.1086467504501343
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.1814305782318115
+CC(C)CNCc1ccc(Cc2ccccc2)cc1,-1.6743870973587036
+Fc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1Br,-1.0316154956817627
+CC[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CCO1,-1.4125127792358398
+O=C(COC1CCCCC1)NCc1ccc(Cl)s1,-1.5623470544815063
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2323251962661743
+CN1CC[NH+](CCNC(=O)CCc2ccc(F)cc2)CC1,-1.5644375085830688
+c1ccc(N2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1,-1.0822452306747437
+Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1,-0.9552527666091919
+CC(c1ccccc1)C(C)(C)NC(=O)c1ccc(Cl)cc1,-1.1348545551300049
+NC(=O)N1CCN(c2ccccc2)CC1,-1.7107747793197632
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1,-1.0302337408065796
+O=C(N[C@@H]1CCc2[nH]cnc2C1)c1scnc1-c1ccccc1,-0.775075376033783
+C[C@H]1CCC[NH+](CC(=O)NCc2nc3ccccc3s2)C1,-1.0910874605178833
+CC(C)CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.2803828716278076
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4377542734146118
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1768964529037476
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2286052703857422
+C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.4549185037612915
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9949880838394165
+COc1ccc(C[NH+]2CCN(C(=O)N3CCC[C@@H]3C)CC2)cc1,-1.215204119682312
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9137021899223328
+COc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)cc1,-1.085266351699829
+O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2s1,-1.048376441001892
+O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1,-0.9078267812728882
+O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1,-0.8390669822692871
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.7891474962234497
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.011207938194275
+O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8077494502067566
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750933170318604
+O=C(Nc1ccc(-n2cncn2)cc1)C1CCN2CCCC2C1,-0.9943846464157104
+CC[NH+]1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-1.075961947441101
+COc1ccc(C2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.2912883758544922
+CN1CCN(c2ccc(COc3cccc(N)c3)cc2)CC1,-1.352618932723999
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9390605092048645
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0528665781021118
+CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0879287719726562
+CC[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9049999713897705
+Cc1nnc(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)s1,-0.5907391309738159
+Fc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1,-1.2124921083450317
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCCCC2,-1.3967034816741943
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4448171854019165
+O=C1C(O)CCN1c1ccc(OCc2ccccc2)cc1,-1.5242695808410645
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2[nH]1,-0.8599515557289124
+CC(C)(O)Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1,-1.188170313835144
+Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1,-1.0666428804397583
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.0796613693237305
+O=C(COC1CCCCC1)N1CCN(c2ccccc2Cl)CC1,-1.1277360916137695
+CC(C)(C)n1ccc(C(=O)Nc2ccc(C#N)cc2)n1,-1.1362171173095703
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1047576665878296
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8969411849975586
+Fc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.241348147392273
+O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4678840637207031
+Cc1cc(F)ccc1NC(=O)C1CCC(c2ccccc2)CC1,-1.114236831665039
+CCc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.029318928718567
+C[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CCCC2)C1,-1.5679188966751099
+Cc1ccc(C(=O)NC2(c3ccc(F)cc3)COC2)cn1,-1.2919191122055054
+CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(F)c2)CC1,-0.8489100933074951
+CC(C)c1ccc(NC(=O)[C@H](C)c2cccc(O)c2)cc1,-1.2212777137756348
+CCOc1ccc(CN=C(O)CN2CCC(C)C2C)cc1,-1.4044380187988281
+COc1cccc(OCC(O)=NCCCc2ccc(Cl)cc2)c1,-1.4667904376983643
+C[C@@H]1C[C@H](NC(=O)c2cccc(Br)c2)CC[C@@H]1c1ccccc1,-0.9384320378303528
+Oc1cc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.1549054384231567
+COc1ccc(NC(=O)c2c([N+](=O)[O-])n[nH]c2C)cc1,-1.2172551155090332
+Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9353055357933044
+O=C(NCc1ccccc1)[C@H]1CCCN(C(O)=NC2CC2)C1,-1.3868900537490845
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3114776611328125
+CN1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1,-1.3533358573913574
+CC(C)(C)c1ccc(CNc2ccc(Cl)c(F)c2)cc1,-0.9647806286811829
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1934280395507812
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2794936895370483
+O=C(NCc1ccc(Br)cc1)c1cc2cc(F)ccc2[nH]1,-1.0433355569839478
+Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2)cc1,-1.5671935081481934
+CCC(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.0149164199829102
+NC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1,-1.1142141819000244
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F,-1.0742744207382202
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cn2)cc1,-1.037021517753601
+COC1CCN(C(=O)C2CCN(c3ccc(O)cc3)CC2)CC1,-1.1568551063537598
+C[C@@H]1CN(C(=O)NC2CC(c3ccccc3)C2)CC[C@H]1O,-1.2606996297836304
+Fc1ccc(N2CCC[C@H](COc3ccc(Br)cc3)C2)cc1,-1.1737432479858398
+Cc1ccc(OC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1,-1.3112566471099854
+Oc1ccccc1-c1ccc(-c2noc(CN3CCCC3)n2)cc1,-1.0513325929641724
+CCc1ccc(C(=O)NCc2ncc(C)o2)cc1,-1.6079119443893433
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.011095404624939
+O=C(NC1CCN(c2ccc(F)cc2)CC1)N1CCCCCC1,-1.194582462310791
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1779698133468628
+Cc1cc(NC(=O)Nc2nc3ccccc3o2)ccc1F,-1.1077622175216675
+COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.5805275440216064
+O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.415024757385254
+CN(C(=O)CN[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1,-0.6313814520835876
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.300577163696289
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1,-1.3137649297714233
+Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1097294092178345
+CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5941731929779053
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCN3)C1,-1.145317554473877
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1918878555297852
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(Br)c1,-0.9542911052703857
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0519118309020996
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4056622982025146
+C[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccc(Cl)cc3)C2)CC1,-1.0254205465316772
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.8611369729042053
+O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1,-1.3144816160202026
+N=C(O)CCCC(=O)Nc1ccc(OC2CCCCC2)cc1,-1.5629242658615112
+CC(C)(F)C(=O)N1CCC(NC(=O)C2CCCC2)CC1,-1.1692452430725098
+Cc1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.2532321214675903
+O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.9460354447364807
+O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1,-1.218076467514038
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1606571674346924
+CCCCOc1ccc(C(=O)Nc2ccccc2)cc1,-1.6695407629013062
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[NH+]1C,-1.164064645767212
+Nc1ccc(-c2cc(N)ccc2OCc2ccccc2)cc1,-1.267922282218933
+C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0812709331512451
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.1024798154830933
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0168707370758057
+O=C(NCC(O)Cc1cccc(Cl)c1)c1ccc(Br)cc1,-1.2089625597000122
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncco2)cc1,-0.9304764270782471
+CC1(C)CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2474910020828247
+O=C(NC1CCCCC1)N1CCCN(c2ccc(Cl)cc2)CC1,-1.1826878786087036
+C[C@H]1Cc2cc(CNC(=O)c3ccccc3Br)ccc2O1,-1.1624822616577148
+O=C(Nc1ccnn1-c1ccc(Cl)cc1)N1CC[C@H](F)C1,-0.9140106439590454
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8432183265686035
+C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.451362133026123
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5209450721740723
+C[NH+]1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1,-1.4839026927947998
+Fc1ccc([C@@H]2COCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.1394916772842407
+Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Br,-1.1167570352554321
+C[C@H]1CCCC[NH+](CCC(=O)NCc2ccc(Br)cc2)C1,-1.3484382629394531
+N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.3103954792022705
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.067512035369873
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2002922296524048
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.3630179166793823
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9063901901245117
+CC(C)(O)CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-1.2637436389923096
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2ccc(C)o2)cc1,-1.3831634521484375
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568345785140991
+CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,-1.3663902282714844
+O=C(Nc1ccc(I)cc1F)N1CCC(c2ccccc2)CC1,-0.8316259980201721
+Cc1ccc(C(=O)NCCc2ccc(F)c(F)c2)c(Br)c1,-0.7623186111450195
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4084364175796509
+Cc1cc(NC(=O)c2coc(C)n2)n(C2CCCCC2)n1,-1.0273157358169556
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4459342956542969
+CC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.7204608917236328
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8053624033927917
+O=C(Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)nc1,-1.071945309638977
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-1.0072193145751953
+Oc1cc(SCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.007865309715271
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[C@H]1c1ccccc1,-1.094473958015442
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0919972658157349
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9280906319618225
+CC(C)C(=O)Nc1ccc(CN2CC[C@@H](C)C2=O)cc1,-1.233953833580017
+CC(C)c1ccc(CC(=O)Nc2cc(Cl)ccc2O)cc1,-1.1526037454605103
+C[C@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4880855083465576
+CC1(C)CCCN(C(=O)NC[C@@H]2CC2C2CCOCC2)C1,-1.3921009302139282
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.98578941822052
+Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1F,-1.0617209672927856
+Oc1ccc(-c2ccc(NCc3ccc(F)cc3)nc2)cc1,-1.2061043977737427
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5682214498519897
+O=C(Cc1ccccc1)N1CCN(CCc2ccccc2)CC1,-1.5289336442947388
+Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1Cl,-1.028672456741333
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Br)c1,-1.0159826278686523
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1543008089065552
+C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3353463411331177
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2759641408920288
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.0629483461380005
+CC1(O)CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.4593451023101807
+CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2663285732269287
+Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-0.9316191673278809
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.3835217356681824
+Cc1ccc(CCNC(=O)NC2CCOCC2)s1,-1.6246553659439087
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0356806516647339
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4154976606369019
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(O)c1,-1.2769174575805664
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.0737460851669312
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.31404873728752136
+O=C(C1CCCOCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3652598857879639
+C[NH+]1CCC[C@]2(CCN(C(=O)NCc3ccccc3)C2)C1,-1.560075283050537
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0632116794586182
+Cc1ccccc1N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.135336995124817
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@@H](C)O1,-1.5050406455993652
+O=C(Cc1ccccn1)NC1CCN(c2ccc(F)cc2)CC1,-1.326794981956482
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0068031549453735
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2367812395095825
+C[C@@H]1C[NH+](CCNC(=O)c2ccc(F)cc2Cl)C[C@H](C)O1,-1.0254101753234863
+Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1ccccc1,-1.036932349205017
+C[C@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)O1,-1.187612771987915
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1883662939071655
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.9998528361320496
+C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4984910488128662
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2684675455093384
+O=C(NCC1CC[NH+](C2CC2)CC1)c1ccon1,-1.592681646347046
+C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](C)CC2)C1,-1.3191598653793335
+O=C(Nc1ccc(F)cn1)N1CCCN(c2ccccc2)CC1,-1.1653531789779663
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1371421813964844
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2901113033294678
+O=C1C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)CCN1,-1.2745914459228516
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-0.9488348960876465
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0346558094024658
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9340769648551941
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9518172144889832
+C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC[C@@H]1C,-0.9743707776069641
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCOCC2)C1,-1.6654781103134155
+CCN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.964850902557373
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9533403515815735
+NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1,-1.2370376586914062
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140269041061401
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)cn1,-0.8769237399101257
+Cc1ccc([C@H]2C[C@H](NC(=O)c3ccc(F)nc3)C2)cc1,-1.0739731788635254
+N[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O,-1.413952112197876
+Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.1599713563919067
+C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](c3cccc(Br)c3)C2)CC1,-1.0746960639953613
+O=C(NCc1ccc(F)cc1)NC1CCOCC1,-1.6532008647918701
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9419631361961365
+Cc1ccc(CNC(=O)c2cc3n(n2)CCCC3)c(Cl)c1,-0.7487286329269409
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617091417312622
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495146870613098
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0196731090545654
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1,-1.1212245225906372
+O=C(CCCc1ccccc1)Nc1ccc(-c2cccs2)nc1,-1.4507851600646973
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9668674468994141
+Cc1c(Br)cccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-0.9825394153594971
+Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1F,-0.6087287068367004
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313377499580383
+CC[NH+]1CCC[C@@H]1C(=O)NCc1cccc(Cl)n1,-1.2504305839538574
+N=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.5531320571899414
+C[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccc(F)cc1,-1.3000777959823608
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413495540618896
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(O)c1,-1.4038820266723633
+O=C(CN=C(O)C(O)c1ccccc1)OCc1ccccc1,-1.57542884349823
+C[SH](C)(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.849967896938324
+O=C(Nc1ccc(Br)cc1)Nc1ccc2nc(O)[nH]c2c1,-1.0290411710739136
+c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1,-1.1747055053710938
+[NH3+]CCC[C@H]1CCCN(C(=O)NCc2ccccc2)C1,-1.655922293663025
+O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.3887393474578857
+CC(NCc1ccccc1)C(O)=NCc1ccc(Cl)cc1,-1.5323903560638428
+Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.090449333190918
+O=C(NCC1CCCC1)N1CCOC[C@@H]1C1CC1,-1.6070233583450317
+C[NH+]1CCC[C@H](CNC(=O)c2cc3cc(F)ccc3o2)C1,-1.0578129291534424
+NC(=NO)c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,-0.7558072209358215
+CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2Br)cc1,-0.783680260181427
+C[NH+]1CC[C@@H](c2ccccc2F)[C@@H](NC(=O)C2CCCCC2)C1,-1.0357651710510254
+O=C(Nc1ccccc1O)N1CCN(c2cccc(F)c2)CC1,-1.1012533903121948
+C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccccc1,-1.0623784065246582
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.679832935333252
+C[C@H]1CN(C(=O)Nc2ccc(C3CCCCC3)cc2)CCCO1,-1.3993386030197144
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nc2)c(Br)c1,-0.8307928442955017
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2739126682281494
+Cc1ccc(C(=O)NC2CC(c3cccc(Br)c3)C2)cn1,-0.9650015830993652
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1199272871017456
+O=C(Nc1ccc(F)cc1)c1ccccc1N1CCNC1=O,-1.0970754623413086
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1,-0.9779254198074341
+CC(C)C(C)(C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1,-0.934658944606781
+Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3CCC[NH+]3C2)c(Cl)c1,-1.2214539051055908
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.0496896505355835
+ON1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3294198513031006
+O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,-1.2594165802001953
+[NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1,-1.0669852495193481
+Cc1ccc(C(=O)NC2CCN(c3nnc(C)s3)CC2)s1,-0.6984053254127502
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004141807556152
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)ccc1Br,-0.8869384527206421
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0128198862075806
+O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.215715765953064
+O=C(NC1CC12CCNCC2)c1ccc(-c2ccccc2)cc1,-1.29460608959198
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.0183178186416626
+O=C(Nc1ccccc1O)C1CCN(c2ccc(Cl)cc2)CC1,-1.0175970792770386
+Cc1csc(N=C(O)COc2ccc(OC(C)C)cc2)n1,-1.412568211555481
+CC1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.2021104097366333
+O=C(CC1CC1C1CCOCC1)NCc1ccc(Cl)cc1,-1.374517798423767
+O=C([C@@H]1CCCC[C@H]1O)N1CCCC[C@@H]1Cc1ccc(F)cc1,-1.118670105934143
+O=C(Nc1ccccc1Cl)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9831885099411011
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0562599897384644
+O=C(N[C@H]1CCCCN1CC(F)(F)F)c1ccc(Br)cc1,-0.8648940324783325
+CC(C)c1cccc(NC(=O)CCN2CC[NH+](C)CC2)c1,-1.417980432510376
+O=C([O-])C1CCN(C(=O)NC2CC3(CCCC3)C2)CC1,-1.45242178440094
+O=C(NCc1ccc(O)cc1)c1cc2ccc(F)cc2[nH]1,-1.273902177810669
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.5145035982131958
+O=C(NCc1nnc2ccccn12)c1ccc(Cl)c(F)c1,-0.7057571411132812
+Nc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1,-1.080027461051941
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4220752716064453
+Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)[C@@H](C)C2)cc1Cl,-0.49878472089767456
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9850233197212219
+O=C(NC1CC(F)(F)C1)N1CC[NH+](C2CCCCC2)CC1,-1.1620732545852661
+O=C(CCc1ccncc1)NC1CCN(c2ccccc2)CC1,-1.492323637008667
+Cc1ccc(N2CC[NH+](CCNC(=O)C(C)C)CC2)cc1,-1.3543437719345093
+Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1,-1.1165622472763062
+Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.217482328414917
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.1048505306243896
+Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1F,-0.7234958410263062
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9274370670318604
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1899595260620117
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.339782953262329
+Cc1ccc(O)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-1.1094177961349487
+CC(C)C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1,-1.0806539058685303
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750471830368042
+COc1ccc(OCc2ccc(S(=O)(=O)Cl)cc2)cc1,-1.5397899150848389
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1,-0.8051713109016418
+O=C(c1cccc(F)c1)N1CCC(Oc2ccccc2Cl)CC1,-1.0063261985778809
+O=C(Nc1ccc(F)cc1Br)c1ccc(-c2ccccc2)cc1,-1.0415345430374146
+Cc1cc(Cl)ccc1N1CCC(C(=O)NC2CCCCC2)CC1,-0.924080491065979
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9726241827011108
+Cc1c(O)nc(-c2ccccc2)nc1NCC1CCCCC1,-1.042148470878601
+C[NH+]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccccc3F)C2)C1,-0.9833524227142334
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0714757442474365
+Cc1cccc(CNC(=O)c2ccc3nc(C)oc3c2)c1,-1.155227541923523
+Cc1ccc(C(=O)N2CC[C@H](c3nc(C(C)C)no3)C2)s1,-0.7910805940628052
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.192818284034729
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.1812794208526611
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2[nH]1,-0.9462063908576965
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)nc3)cc2)CC1,-1.0235484838485718
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4338510036468506
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.4074655771255493
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1968188285827637
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123116493225098
+CC[C@H]1COCC[NH+]1CC(=O)Nc1cc(C)c(Br)cc1C,-0.9626756906509399
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8815959692001343
+CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)C[C@@H]1C,-1.1060302257537842
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3354507684707642
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Br)cc1,-1.0112673044204712
+O=C1CCCN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1,-1.3097457885742188
+Cc1cccnc1NC(=O)c1ccccc1-c1ccc(Cl)cc1,-0.8716702461242676
+O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(Cl)cc1,-1.3035162687301636
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8639287352561951
+Nc1ccc(C(=O)NC2(c3ccc(F)cc3)COC2)cc1,-1.509350061416626
+O=C(NCCCc1ccc(F)cc1)c1ccc(F)c(F)c1,-1.1086269617080688
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.464012622833252
+Cc1ccc2cc(C(=O)NCc3cccc(Br)c3)oc2c1,-1.0870994329452515
+c1ccc(COc2ccc(NC3CCC3)cc2)cc1,-1.666754126548767
+Cc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.1433850526809692
+Cc1ccc(NC(=O)COc2ccc(C)cc2Br)c(F)c1,-0.9639918208122253
+C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1,-0.9324802756309509
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.8976144194602966
+CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.1549354791641235
+CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2498424053192139
+COc1ccc(CNC(=O)c2ccc(N)s2)cc1,-1.556604027748108
+O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.8874489665031433
+Cc1ccc(Br)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-0.9303628206253052
+O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,-1.132083535194397
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2038546800613403
+O=C(Nc1ccc(-c2ccc(Br)cc2)cc1)[C@@H]1CC[NH2+]C[C@H]1F,-0.8809417486190796
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0608808994293213
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9906448721885681
+O=S(=O)(CCNCc1ccc(F)cc1)c1ccccc1,-1.5858399868011475
+c1ccc(COc2ccc3cc(-c4ccccc4)ccc3c2)cc1,-1.3097907304763794
+Cc1ccc(N)cc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.0506118535995483
+CC1CCC(NC(=O)CNCc2ccccc2)C1,-1.6756597757339478
+Cc1cccc(N2CCC(NC(=O)c3ccccc3O)CC2)c1,-1.139204740524292
+[NH3+][C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9484825730323792
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1,-0.9552639722824097
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.964505672454834
+O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1c1nccs1,-0.7424913048744202
+C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6629587411880493
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)n1,-1.0811067819595337
+O=C(NC[C@H]1CCCCS1)Nc1ccc(Cl)nc1,-1.326433777809143
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c([O-])c1,-1.188232421875
+Oc1nc(CSCc2ccc(F)cc2Cl)nc2ccccc12,-0.6327505707740784
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9818108677864075
+O=C(COc1ccc2c(c1)OCO2)Nc1ccc(F)cc1,-1.479886770248413
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)nc1,-1.201468825340271
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1427353620529175
+Cc1ccccc1C(=O)NC1CCC(c2ccc(F)cc2)CC1,-1.0151909589767456
+O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Br)cc1,-1.2687139511108398
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3425556421279907
+COc1ccc2nnc(CN3CCC(c4ccccc4)CC3)n2c1,-0.9082457423210144
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9906303882598877
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.33650541305542
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Cl)c2)no1,-1.1223589181900024
+CC(C)(O)CC(=O)NC[C@@H]1CCCN(c2ccccc2)C1,-1.570015549659729
+c1ccc(CN2CCN(c3ncc(-c4ccccc4)s3)CC2)cc1,-1.1471949815750122
+O=C(Nc1ccc(O)cc1)N1CC(c2ccc(F)cc2)C1,-1.2575300931930542
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(F)c1,-1.149436354637146
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997188329696655
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.8777608871459961
+CN1CC[C@H](NC(=O)N2CCC[C@H](c3ccccc3)C2)C1=O,-1.1345016956329346
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.0243273973464966
+O=C(Nc1ccc(Cl)cc1)c1ccccc1F,-1.4362318515777588
+COc1ccccc1C(=O)N1CCC(c2ccc(N)cc2)CC1,-1.042832374572754
+CC(C)(C)CNC(=O)N1CCCC[C@H]1c1cccc(Br)c1,-1.0523252487182617
+COc1cccc(C(=O)NCc2ccc(C)s2)c1,-1.5736831426620483
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)no1,-1.1405726671218872
+Nc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2O)cc1,-1.187619924545288
+O=C(Nc1ccc2[nH]ncc2c1)c1csc(-c2ccccc2)n1,-0.9285222291946411
+COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1,-1.117842197418213
+O=C(N[C@H](C(=O)O)c1cccc(F)c1)c1ccccc1,-1.491383671760559
+CC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1,-1.2795552015304565
+Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.2972840070724487
+C[NH+]1CCC[C@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1,-1.3521801233291626
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCCC2)C1,-1.4389612674713135
+C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CCO1,-1.2221105098724365
+c1ccc(CNC2CN(Cc3ccccc3)C2)cc1,-1.6759529113769531
+Nc1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,-1.5101385116577148
+CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.352685570716858
+O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(-c2ccc(Cl)cc2)c1,-1.0248860120773315
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,-1.5028525590896606
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8811788558959961
+CCc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.580757975578308
+[NH3+]c1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2)cc1,-1.590070366859436
+CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1,-1.0538356304168701
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9254205822944641
+Cc1cc(C(=O)NCC2CC3(CCC3)C2)ccc1F,-1.3152849674224854
+O=C(CCc1ccccc1)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.538987159729004
+Cc1nc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cs1,-0.6607124209403992
+CN1CCN(c2ccc(F)cc2)CC1,-1.7026095390319824
+CC(C)CCN=C(O)COc1ccccc1NC(=O)C(C)C,-1.398132562637329
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.1462032794952393
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2O)CC1,-1.3518362045288086
+O=C(c1ccc(Br)cc1)N1CCC(Oc2ccccc2Cl)CC1,-0.9244341850280762
+O=C(NCc1ccccn1)N[C@H]1CCC[C@H](F)C1,-1.593643069267273
+O=C(Nc1ccccc1)N1CCCC(c2ccc(F)cc2Cl)C1,-0.9984334707260132
+Cc1ccc(C(=O)N2CCN(c3cccc4ccc(F)cc34)CC2)cc1,-0.7141232490539551
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299188613891602
+O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(F)cc1,-1.2921626567840576
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1595923900604248
+Cc1ccc(C)c(NC(=O)c2ccc(C3CCCCC3)cc2)c1,-1.1885876655578613
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0750609636306763
+Fc1ccc(N2CCC([NH2+]Cc3cccc(I)c3)CC2)cc1,-1.0403443574905396
+O=C(NCc1ccc(F)cc1)[C@@H]1CN2C(=O)CC[C@@H]2S1,-1.0190093517303467
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1349323987960815
+Cn1ccc(NC(=O)C(=O)NC2CCCC2)cc1=O,-1.5466572046279907
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)F)CC2)cc1,-1.2965863943099976
+Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2)cc1C,-1.1610711812973022
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)nc1,-1.1496169567108154
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9875969886779785
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.004109501838684
+CN1CCN(c2ccccc2C(=O)NCCC(=O)[O-])C1=O,-1.174452781677246
+CN(C(=O)c1ccc(Br)cc1)C1CCN(c2ccccc2)CC1,-0.9771769046783447
+CC(C)Nc1ccc(NC(=O)C2CCCC2)cc1,-1.6608213186264038
+O=C1CCC[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.375383734703064
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.417847990989685
+CC1(C)CC(NC(=O)N2CCC(c3ccccc3)CC2)C1,-1.387855052947998
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1866763830184937
+O[C@@]1(Cc2ccccc2Br)CC[NH+](Cc2ccc(F)cc2)C1,-1.2859992980957031
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)nc1,-0.7834380269050598
+Nc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.050184726715088
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.624186635017395
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nc2)cc1,-1.050620198249817
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1109623908996582
+O=C(COc1ccccc1)NCc1ccccc1,-1.747355341911316
+O=C(CN1CCCC1=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.3745148181915283
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Br)cc2[nH]1,-0.8729599714279175
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0507584810256958
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3417155742645264
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2439298629760742
+Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1,-0.959394097328186
+O=C(Cc1ccc(N2CCCCC2)cc1)Nc1ccccc1Cl,-1.172712802886963
+C[C@@H]1CN(C(=O)[C@@H]2CC[C@@](O)(c3ccc(F)cc3)C2)CC[S+]1[O-],-0.9262887239456177
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0675346851348877
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0873386859893799
+Cc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9925780892372131
+Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)n2)n[nH]1,-0.8091816902160645
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccoc2)CC1,-1.074949026107788
+Cc1ccc(OCC(=O)N2CC[NH+](C(C)C)CC2)c(Cl)c1,-1.0219277143478394
+Nc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Br)cc1,-0.8414813280105591
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.9899057745933533
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.241492748260498
+O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1,-0.9586003422737122
+O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2ccccc2)C1,-1.175950527191162
+O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2s1,-1.1623187065124512
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124714612960815
+Cc1cccc(-c2noc(C[NH+]3CCC(S(N)(=O)=O)CC3)n2)c1,-1.0681058168411255
+O=C(CNC(=O)c1cccc(O)c1)c1ccc(Br)cc1,-1.3249742984771729
+Cc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(O)c1,-1.0817646980285645
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3823895454406738
+Cc1cccnc1NC(=O)N1CCN(c2ccc(I)cc2)CC1,-0.8091821670532227
+CC(C)[NH+]1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1,-1.0089240074157715
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1,-1.1179968118667603
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1353291273117065
+CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.0934412479400635
+Cc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.275793194770813
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1733781099319458
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9715276956558228
+O=C([C@H]1CCC[C@H](c2ccccc2)C1)N1CCN(C2CC2)CC1,-1.1615912914276123
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1310269832611084
+c1ccc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.2692221403121948
+O=C1CN(C(=O)C2CCCCC2)CCN1Cc1ccccc1,-1.3824632167816162
+c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.2512785196304321
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.221695899963379
+Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1230875253677368
+Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.2518070936203003
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.2071144580841064
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc([O-])cc1,-1.2858052253723145
+Cc1cccc(NC(=O)[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1,-1.0932093858718872
+c1ccc(-c2ccc(Cc3noc(-c4ccccc4)n3)cc2)cc1,-1.3820949792861938
+O=C(Nc1ccc(F)nc1)c1ccc(N2CCCC2=O)cc1,-1.0522291660308838
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cn2)CC1,-1.1814452409744263
+Cc1ccc(C2CCCC2)cc1-c1ccc(NC(C)C)cc1,-1.071547269821167
+Fc1ccc(N2CCC(NCc3ccccc3)CC2)cc1F,-1.1048564910888672
+C[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCCO1,-1.4426603317260742
+CCCOC1CCC(NCc2ccc(Br)cc2)CC1,-1.5202288627624512
+Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1,-1.4771080017089844
+Cn1cc(NC(=O)C2CCCC2)c(-c2ccc(F)cc2)n1,-1.0167338848114014
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0648990869522095
+CC(=O)N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1,-1.3038790225982666
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1,-0.7736657857894897
+CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2585773468017578
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.297712802886963
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1,-0.9059999585151672
+O=C(C[NH+]1CCC2(CCCC2)C1)NCc1ccccc1Cl,-1.5257714986801147
+CC(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-1.3978627920150757
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1622964143753052
+CCc1ccc(NC(=O)Nc2cnn(C)c2)cc1,-1.6147630214691162
+CC(C)c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1,-1.228762149810791
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531113624572754
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2843070030212402
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.7085340023040771
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.3572970628738403
+C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3F)cc2)CC[NH2+]1,-1.0012104511260986
+CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1,-1.3343124389648438
+C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)nc2)cc1,-0.8872648477554321
+[NH+]c1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0753545761108398
+Fc1ccc(CNC2CCCC(c3ccc(Cl)cc3)C2)cc1,-1.1584253311157227
+C[NH+]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1,-1.1251896619796753
+O=C(NCCc1ccc(F)c(F)c1)c1ccc(I)cc1F,-0.6842731833457947
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9283227920532227
+O=C(CN1C(=O)c2ccccc21)N1CCN(Cc2ccccc2)CC1,-1.1863054037094116
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@H]2C)cc1,-1.161769986152649
+O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4094277620315552
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.033170223236084
+Nc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1219433546066284
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.059433102607727
+C[C@H]1CCC[NH+](CCNC(=O)Cc2cc(Br)ccc2F)C1,-1.0523918867111206
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1Cl,-1.0307152271270752
+O=C(NC1CCN(c2cnc3ccccn23)CC1)C1CCCC1,-0.9718204736709595
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764351606369019
+C[NH+]1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-1.0726888179779053
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Br)c1)CC2,-0.6388843059539795
+O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5328859090805054
+C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Nc1ccc(Br)cc1,-1.1313096284866333
+O=C(NC1CCOCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.9456545114517212
+C[C@@H](COc1ccc(Br)cc1)NC(=O)CC(C)(C)C,-1.505368947982788
+c1cc2c(cc1C[NH+]1CCC[C@H]1CC1CCOCC1)OCO2,-1.452500343322754
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.095813512802124
+CC1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.040737509727478
+O=C([O-])[C@H]1CCC[NH+]1Cc1csc(-c2ccc(F)cc2)n1,-0.9532328248023987
+Cc1ccc(C(=O)N2CCC(Nc3ncc(C)s3)CC2)s1,-0.8333724737167358
+O=C1NC(CCNc2ccc(Cl)cc2)CCc2ccccc21,-0.99015873670578
+C[C@@H]1C[C@H](NC(=O)c2cccc([NH3+])c2)CCN1c1ccccc1,-1.1225048303604126
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.1461913585662842
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@H]1O,-1.0419366359710693
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4193480014801025
+Cc1ccc(NC(=O)N2CCC(CC(C)(C)O)CC2)cc1,-1.5263242721557617
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Br,-1.1066677570343018
+C[C@H]1CCCCCN1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-0.8740547299385071
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1496392488479614
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6937915086746216
+O=C(NC1CCCCC1)c1cc(Br)c(-c2ccccc2)nc1O,-0.7500895261764526
+CC(C)C[NH+]1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1,-0.942044734954834
+C[C@@H](CNC(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1,-1.2150112390518188
+CC(=O)c1ccc(OCC(O)=NCCc2ccccc2)cc1,-1.548065185546875
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)n1,-1.0332612991333008
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9335023164749146
+Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1,-0.9543026685714722
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9649239778518677
+CC1CCCC(N2CCC(NCc3ccc(Cl)cc3)CC2)C1,-1.0509023666381836
+Cc1ccc(COc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.4705966711044312
+O=C(Cc1cccc(F)c1)NCC(=O)N1CCOCC1,-1.5717580318450928
+C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2)CCO1,-1.4621814489364624
+CC1CCN(c2ccc(OCCC(O)=Nc3cccc(Cl)c3)cc2)CC1,-1.0042563676834106
+Oc1ccc(-c2noc(COc3ccc(Br)cc3F)n2)cc1,-0.9138612747192383
+O=C(C[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H](c2ccccc2)C1,-1.4972550868988037
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.0881003141403198
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.1001834869384766
+Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1,-1.5023956298828125
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641956567764282
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0040494203567505
+Cc1nc(CC(=O)Nc2cc(-c3ccccc3)[nH]n2)co1,-1.365501880645752
+CC(c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.0071927309036255
+C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Br)cc2)C1,-1.1648181676864624
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.258955717086792
+Cc1ccc(CN2CCN(Cc3ccccc3)C(C)C2)cc1,-1.454626202583313
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198163986206055
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1O,-1.2490315437316895
+C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1819517612457275
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1536113023757935
+Cc1nnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1,-0.6180655360221863
+O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)N1CCCC[C@H](F)C1,-1.177509069442749
+O=C(c1ccc(Cl)cc1F)N1CCC(Cc2ccccc2)CC1,-1.0062967538833618
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9537936449050903
+O=C(N[C@H]1CCO[C@@H](c2ccc(Cl)cc2F)C1)c1ccccc1,-1.0073989629745483
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1907072067260742
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9098015427589417
+OC1CCC(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1,-1.2577316761016846
+CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.5746287107467651
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)cc3c2)cc1,-1.1862235069274902
+CN1CC[NH+](CCNC(=O)c2ccc(Cl)cc2)CC1=O,-1.2394551038742065
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.194191575050354
+Cc1ccc(O)c(CNC(=O)CCc2ccc(Br)cc2)c1,-1.4082767963409424
+CC(C(=O)NCc1ccccc1)C(C)(C)c1ccccc1,-1.533217191696167
+CC[C@H](C)C(=O)NC1CCN(Cc2ccc(C)cc2)CC1,-1.529587984085083
+CCc1ccc(CN)cc1,-1.9420260190963745
+O=C([C@H]1CCCC[C@H]1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1704243421554565
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(O)c(Br)c1,-0.8525927066802979
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-0.9929255247116089
+Cc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1,-1.5743257999420166
+C[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC3(CCCCC3)CO2)C1,-1.5563668012619019
+CC(C)(C(=O)OCc1ccccc1)C(O)=Nc1ccc(Cl)cc1,-1.3417161703109741
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(Br)c1,-0.9536844491958618
+C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.464815616607666
+O=C(Nc1cccc(Br)c1)N1CCCC[C@H]1CC(F)(F)F,-0.8922949433326721
+Cc1ccsc1C(=O)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.7580179572105408
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)[C@H]1CC[NH+]2CCC[C@@H]2C1,-1.060128927230835
+C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9616296291351318
+Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0880680084228516
+C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.2177565097808838
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.973021924495697
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.624186635017395
+CC[C@H]1CCCN(C(=O)NC[C@@H](O)c2ccccc2)C1,-1.566033124923706
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2[nH]1,-0.9381505846977234
+Cc1ccc(CN2CCN(C(=O)c3ncccc3Cl)CC2)cc1,-0.9159252047538757
+O=C(Nc1cccn2ccnc12)c1ccc(-c2nn[n-]n2)cc1,-0.8399375677108765
+Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.150429129600525
+O=C(N[C@H]1CC12CCOCC2)N1CCO[C@@H](c2ccccc2)C1,-1.495184302330017
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0712043046951294
+c1ccc(-c2noc(C[NH+]3CCN(C4CCCCC4)CC3)n2)cc1,-1.189873218536377
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0762056112289429
+C[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.020057201385498
+Cc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.3937350511550903
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1,-0.9909045100212097
+C[C@@H]1Cc2cc(CC(=O)OCc3ccccc3)ccc2O1,-1.5824315547943115
+CC1(C)CCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1,-1.076264500617981
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9247347116470337
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1905766725540161
+Cc1cnc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2n1,-0.4165801405906677
+Cc1ccc(F)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.1040927171707153
+CN(C)c1ccc(CNC(=O)C2CCCC2)cc1,-1.5998055934906006
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3590649366378784
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5311046838760376
+COc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1,-1.5479432344436646
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9457290768623352
+CS(=O)(=O)CCc1ccc(C(=O)NC2CCCCC2)cc1,-1.546638011932373
+O=C(N[C@H]1CC12CCC2)N1CC[C@H](c2cccc(Br)c2)C1,-1.016176700592041
+COc1ccc(F)c(CNCC(=O)c2ccccc2)c1,-1.5232272148132324
+[NH3+]c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9744455218315125
+CC(C)C1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0176162719726562
+CC(C)(C)CC(=O)Nc1ccccc1,-1.8247393369674683
+C[NH+]1CCN(C2CCN(C(=O)Nc3ccccc3F)CC2)CC1,-1.073155403137207
+C[NH+]1CCC2(CCC(N3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)C1,-1.1045613288879395
+O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)NC1CCCCCC1,-1.4981944561004639
+Cc1ccccc1CC(=O)Nc1ccc(C(C)(C)C)cc1,-1.3490467071533203
+Cc1cnc(-c2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)o1,-1.2854633331298828
+O=C(NCc1ccc(Br)cc1)N[C@H]1CCCSC1,-1.4971303939819336
+Fc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1F,-1.4750566482543945
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.136897325515747
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9322670698165894
+Cc1ccccc1N1CCC(C(=O)N[C@@H]2CCC[C@@H](C)C2)CC1,-1.0892586708068848
+CC(C)(CC(=O)NCc1ccc(F)cc1)[NH+]1CCOCC1,-1.5357261896133423
+O=C(NCc1ccc(Br)nc1)NC1CCCCC1,-1.4964277744293213
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1F,-0.924383282661438
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3500176668167114
+Cc1ccc(-c2nc(C(=O)Nc3nnc(C)s3)cs2)cc1,-0.6911935806274414
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.1414299011230469
+Cc1cc(F)c(F)c(NCc2nnnn2-c2ccccc2)c1,-0.6459642052650452
+CC(C)Oc1ccc(CNc2ccccc2F)cc1,-1.608750343322754
+COc1cccc(NCc2ccccc2N(C)C)c1,-1.568253755569458
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(O)cc1,-1.182826280593872
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1cccc(Cl)c1,-1.027137279510498
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)nc1,-1.105831503868103
+O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0059911012649536
+O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@@H]1[C@@H]1CCCCO1,-0.8696923851966858
+O=C(NCc1ccccc1)Nc1ccc(Br)cn1,-1.5424429178237915
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0409290790557861
+Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)c1,-1.514704704284668
+C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1,-0.9885460138320923
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.263214349746704
+C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)C[C@H](C)O1,-1.4041638374328613
+O=C1CN(c2cccc(NC(=O)c3ccccc3)c2)CCO1,-1.5078623294830322
+Oc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.406619906425476
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0289705991744995
+O=C(NCc1ccc(Cl)cc1)c1sc(Cl)c2c1CCCC2,-0.5744121670722961
+Cc1ccc(CCCC(=O)NCc2ccc(C)nn2)cc1,-1.3698744773864746
+O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(F)cc2)C1,-1.0978389978408813
+COc1ccccc1C(=O)N1CCN(c2ccc(Br)cn2)CC1,-0.87261962890625
+CN1CCN(C(=O)c2nc3ccccc3nc2-c2ccc(Cl)cc2)CC1,-0.3061676323413849
+CCC(N=C(O)N1CCN(C(=O)C(=O)c2ccccc2OC)C(=O)C1)c1ccccc1,-0.6023340821266174
+CC[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CCO1,-1.4215325117111206
+C[C@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.8733158111572266
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1Cl,-0.6065881848335266
+CC[NH+]1CCC[C@H]1CNC(=O)c1cccc(C)c1,-1.643044114112854
+O=C(Nc1ccc(F)cn1)N1CCN(c2ccccc2F)CC1,-0.8823967576026917
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1651731729507446
+Cc1cc(C(=O)NC2CCC(CC(C)C)CC2)ccc1F,-1.015018343925476
+COc1ccc(CNC(=O)C[NH+]2CCCC[C@@H]2C)cc1,-1.5680793523788452
+Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.4531281292438507
+Cc1ccc2cc(CNC(=O)c3ccc(Cl)cc3)oc2c1,-1.2332255840301514
+CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-1.0550684928894043
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2438385486602783
+O=C(NC(C(=O)O)C1CCCCC1)c1ccc(F)cc1,-1.39337158203125
+Cc1ccc(-c2ccc(NCc3ccc(N)cc3)cc2)cc1,-1.3164410591125488
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.2308235168457031
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9450258612632751
+O=C(CCOc1ccccc1)N1CCN(c2ccccn2)CC1,-1.487956166267395
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9651180505752563
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1,-1.5502350330352783
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.082920789718628
+CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.429338812828064
+CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.349506139755249
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9759222865104675
+Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)s1,-0.9886192083358765
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3395466804504395
+CN1CCC[C@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1,-1.2404018640518188
+C[NH+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)C1,-1.3260791301727295
+CN1CCN(c2ccc(COc3ccc(Br)cc3)cc2)CC1,-1.2300375699996948
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2363026142120361
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114661812782288
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1441007852554321
+Cc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.2631316184997559
+O=C(CCCc1ccc(F)cc1)NCc1ccc(Br)cc1,-1.4748810529708862
+CC1(F)CCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1,-0.9512001276016235
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.5639768838882446
+CN(C(=O)NC[C@@H]1CC[NH+](C)C1)C1CCCCC1,-1.5852088928222656
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.530786156654358
+Cc1nn(C)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1,-0.902205765247345
+CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1,-1.3474140167236328
+C[NH+]1CCN(C2CCN(C(=O)Nc3ccccc3O)CC2)CC1,-1.2089247703552246
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CCC(N)=O)C2)s1,-1.29935884475708
+NS(=O)(=O)c1ccccc1SCC(=O)Nc1ccccc1,-1.4956458806991577
+O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0325051546096802
+Cc1nc(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)no1,-1.0265339612960815
+Cc1ccc(Br)c(NC(=O)N2CCC(C(C)(C)O)CC2)c1,-0.9764487147331238
+COc1ccc(NC(=O)N2CCCC(C3CCOCC3)C2)cc1,-1.407117486000061
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)s1,-1.0053131580352783
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(I)cc1F,-0.6813986301422119
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nc[nH]c2c1,-0.8451867699623108
+Cc1ccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)s1,-1.0697746276855469
+Cc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)c(F)c1,-1.161878228187561
+Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(Br)cc3)C2)cc1,-1.4180490970611572
+Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1,-0.8494445085525513
+C[C@@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCCO1,-1.4305446147918701
+C[NH+]1CCC(C(=O)Nc2ccc(C3CCCCCC3)cc2)CC1,-1.2895474433898926
+Cc1cc(Br)ccc1NC(=O)C(=O)Nc1ccn(C)n1,-1.1316337585449219
+CC(=O)N1CCC(NC(=O)Cc2cccc(Cl)c2)CC1,-1.4082740545272827
+O=C(CC[NH+]1CCOCC1)Nc1ccc(N2CCOCC2)cc1,-1.5349392890930176
+Cc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,-1.4288861751556396
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9572198390960693
+CC[C@H](O)C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1,-1.5184398889541626
+Cc1ccc(CNC(=O)C[S+]([O-])c2ccc(Cl)cc2)o1,-1.5233073234558105
+O=C(Nc1ccc(O)cc1F)c1ccc(N2CCCCC2)cc1,-1.1496210098266602
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2751493453979492
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3198403120040894
+CN1CCN(C(=O)C2CCN(C(=O)c3ccccc3)C2)CC1,-1.2191572189331055
+CCCCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.3912899494171143
+O=C(NCc1cccc(Br)c1)N1CCO[C@@]2(CCSC2)C1,-1.4315893650054932
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3756136894226074
+O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9472720623016357
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0875964164733887
+CC[NH+]1CCN(C(=O)N[C@@H]2CC23CCCCCCCCC3)CC1,-1.524100661277771
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1341147422790527
+Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7046602964401245
+CC(C)[C@@H](C(=O)NCc1cccc(Br)c1)c1ccccc1,-1.2446906566619873
+Cc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(C)c1,-1.1253994703292847
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1,-1.1051162481307983
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.1337921619415283
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689152240753174
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.948567271232605
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6732641458511353
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(O)ccc1Cl,-1.0090599060058594
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.812899112701416
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3872644901275635
+Cc1cc(Cl)ccc1C[NH+]1CCN(CC2CCCCC2)CC1,-1.2517775297164917
+CC1CN(Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.235703706741333
+C[NH+]1CCC(CNC(=O)c2c(Cl)sc3ccccc23)CC1,-0.8763457536697388
+Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,-1.0460454225540161
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1539770364761353
+c1cc(N2CCCCC2)ccc1C[NH+]1CCC(c2nn[n-]n2)CC1,-0.9884788393974304
+O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9362624883651733
+Cc1cccc([C@@H]2C[C@@H](NC(=O)c3ccccc3O)CCO2)c1,-1.2390469312667847
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[NH3+])cc2)CC1,-1.1584124565124512
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.2847199440002441
+Cc1ccc(C(=O)NC[C@H]2CC3(CCOCC3)CO2)nc1,-1.5589001178741455
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3896031379699707
+O=C(Nc1cccc(-c2ccccc2)c1)c1cc(F)ccc1Cl,-0.9740588665008545
+O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1,-0.9606434106826782
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1383103132247925
+O=C(CCCCc1ccccc1)Nc1ccc(C(=O)O)cc1,-1.6140259504318237
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)on3)C2)cc1,-1.2315043210983276
+C[C@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.2696473598480225
+Cc1cccc(C(=O)NCC2CCC3(CCCO3)CC2)c1,-1.5545512437820435
+O=C(Nc1cc2cccnc2n1-c1ccccc1)C1CCCC1,-1.1206531524658203
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1398388147354126
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.0570341348648071
+Nc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9903749823570251
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.299224615097046
+Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2249847650527954
+COc1ccc(C[NH+]2C[C@@H](C)C[C@@H]2c2ccc(F)cc2)cc1,-1.2977774143218994
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1273945569992065
+O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.518109917640686
+O=C(NC1CCN(c2ncccc2F)CC1)c1ccc(F)cc1,-0.8700379133224487
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5240411758422852
+C[NH+]1CCN(c2ccc(COc3ccc(F)cc3)cc2)CC1,-1.349035620689392
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.233254313468933
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6904524564743042
+Cc1ccc(C(=O)N2CCC(c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.4546162188053131
+O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8530693650245667
+O=C(NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1,-0.9437959790229797
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.235605239868164
+C[C@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(Br)cc1,-0.8209378123283386
+C[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.081195592880249
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCN(c2cccc(Br)c2)CC1,-0.9597855806350708
+O=C(NCCCc1ccccc1F)NC1CCCCC1,-1.5729379653930664
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4708678722381592
+O=C([C@H]1CCC[NH+](Cc2ccc(F)cc2Br)C1)N1CCCCC1,-0.8333464860916138
+O=C(O)CCN1CCN(C(=O)COc2cccc(F)c2)CC1,-1.494242548942566
+CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(F)cc2)C1,-1.1481773853302002
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4435704946517944
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.457106351852417
+O=C(Nc1ccc(F)nc1)c1ccc(-c2ccccc2)cc1F,-0.9472317695617676
+O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[NH+]2CCC[C@H]2C1,-1.025970458984375
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2cc(C)on2)cc1,-1.30275297164917
+CC1CCN(c2ccc(C(=O)Nc3ccccc3I)cc2)CC1,-0.9081007242202759
+CC(C)C(=O)Nc1ccc(C[NH+]2CCC(=O)CC2)cc1,-1.5100897550582886
+Cc1ccc(C[NH+]2CCN(C(=O)N3CCC(C)CC3)CC2)cc1,-1.1585761308670044
+COc1cccc(C(=O)N2CCN(c3ccccc3)[C@@H](C)C2)c1,-1.1017826795578003
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3315155506134033
+Cn1cc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)cn1,-0.8500721454620361
+CC(=O)N1CCCC1C(=O)N1CCN(c2ccccc2)CC1,-1.179697036743164
+C[C@@H]1Cc2cc(CNCc3ccc(Cl)cc3)ccc2O1,-1.2534410953521729
+CC(C)N1CC[NH+](C2CCN(C(=O)C3CCCCC3)CC2)CC1,-0.97406405210495
+CC1(C#N)CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1=O,-1.0226314067840576
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)ccc1F,-1.1901518106460571
+O=C(Cc1ccc(F)cc1)NCC1CC2CCCCC2O1,-1.4387004375457764
+Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3767603635787964
+CC(NC(=O)N1CCC([NH+]2CCOCC2)CC1)C(C)(C)C,-1.2891143560409546
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.093002200126648
+COc1ccc(OCC(O)=NCC(O)c2ccc(Br)cc2)cc1,-1.3730380535125732
+CCCCC(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-1.1821485757827759
+CCC(CN=C(O)CCc1ccccc1)NCc1ccccc1,-1.55756676197052
+Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(C)C)c1,-1.219239592552185
+Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.931477963924408
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1782671213150024
+Cc1cc(O)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2112374305725098
+C[C@@H](C(=O)NCc1ccc(F)cc1O)c1ccc(Br)cc1,-0.9457078576087952
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.286723017692566
+Nc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.106674075126648
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2540607452392578
+C=C(Cl)C(=O)Nc1cccc(Oc2ccc(Cl)cc2)c1,-1.1942121982574463
+O=C([C@@H]1CC[C@@H](O)C1)N1CC[C@@H](Nc2ccc(Cl)cc2)C1,-1.1552879810333252
+Cc1ccccc1C(=O)N1CCC(OC2CCC(C)CC2)CC1,-1.304477572441101
+Cc1nc(NCc2ccc(N)cc2)cc(-c2ccccc2)n1,-1.0080645084381104
+Fc1ccc(CNc2nnc(-c3ccc(F)cc3F)o2)cc1,-0.8507449626922607
+O=C(NCc1cccs1)N[C@@H]1CCC[S+]([O-])C1,-1.6129997968673706
+Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1,-1.3256477117538452
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2[nH]1,-1.1676521301269531
+C[C@@H]1CCCN(C(=O)c2ccc(C(=O)N3CCCC3)cc2)C1,-1.1656203269958496
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)nc1,-1.0884780883789062
+C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1882416009902954
+CCc1ccc(Br)cc1-c1noc(Cc2ccc(Cl)cc2)n1,-0.7166205048561096
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.7370940446853638
+O=C(NC1(c2ccc(F)cc2F)CC1)c1ccc(Cl)nc1,-0.8279677629470825
+C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F,-1.0080996751785278
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431885957717896
+O=C(NCc1ccc(Cl)cc1)Nc1ccccc1,-1.6231039762496948
+C[NH+]1CCC[C@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)C1,-1.566267967224121
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)cc1,-0.9866968393325806
+O=C(N[C@H]1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F,-0.9594060182571411
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3667789697647095
+O=C(COc1ccccc1F)N1CCN(c2ccccc2)CC1,-1.3158811330795288
+CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NCO3)cc1,-1.1637343168258667
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0127956867218018
+O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0363900661468506
+O=CNC[C@@H]1CCCCO1,-2.0059711933135986
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863625526428223
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0090385675430298
+Cc1ccc(F)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0290449857711792
+Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.1215656995773315
+Cc1nnc(NC(C)c2ccccc2)n1-c1ccc(F)cc1,-0.8589537143707275
+O=S1(=O)CC[C@@H](Cc2nc(CC3CCCCC3)no2)C1,-1.526173710823059
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.2056416273117065
+Cc1ccc(CNC(=O)c2cc3ccc(F)cc3[nH]2)cc1,-1.1076712608337402
+CC1=C(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1,-0.7031833529472351
+c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1,-1.1559607982635498
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3806300163269043
+O=C(OCC(=O)N1CCC(O)CC1)c1ccc(F)cc1,-1.5532983541488647
+COc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1,-1.608554482460022
+CN1CCCC(OCC(=O)Nc2ccc(C#N)cc2)C1,-1.5802080631256104
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172438979148865
+O=C(Nc1ccc(Cl)cc1)N1CC[C@H]1c1ccc(F)cc1,-1.1283661127090454
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc[nH]2)cc1,-0.8700910210609436
+C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.808582067489624
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)C[C@H]2C)cc1,-1.4704080820083618
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399770736694336
+C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.2717690467834473
+CC(C)C[NH+]1CCC(NC(=O)c2ccc([O-])c(Cl)c2)CC1,-0.9010718464851379
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6674683094024658
+Fc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1047488451004028
+CC[NH+]1CCC(NC(=O)N[C@H]2CC23CCC3)CC1,-1.6115297079086304
+O=C(Nc1cnc2[nH]ccc2c1)c1cc(-c2ccccc2)on1,-1.0722662210464478
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.3674336671829224
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0685683488845825
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1948909759521484
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3884000778198242
+Cc1nc2ccc(CNC(=O)N3CCC(O)CC3)cc2s1,-1.03489351272583
+CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5849971771240234
+C[C@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3ccccc3F)C2)C1,-0.920136034488678
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cn1,-0.9891709685325623
+CC1(O)CN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1,-1.5649032592773438
+Cn1cc(CC(=O)NCc2ccccc2)c2ccccc21,-1.4181619882583618
+O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1,-1.101544976234436
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617039561271667
+COc1ccc(CNCCc2ccc(F)cc2)cc1,-1.6585253477096558
+O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1,-1.6708282232284546
+CCOc1ccc(C(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.3466777801513672
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(I)cc1,-0.9128179550170898
+Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1,-1.0454049110412598
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9978265166282654
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)CCCN2,-1.0247386693954468
+Nc1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,-1.4042302370071411
+Cc1ccc(-c2ccc(CNC3CCCCC3)cc2)cc1F,-1.1439766883850098
+CC(C)c1cccc(NC(=O)CCN2CC[NH+](C)CC2)c1,-1.434649109840393
+C[C@H]1CCC[NH+](CCNC(=O)CCc2ccc(Br)cc2)C1,-1.4445812702178955
+Cc1ccc2c(C(=O)N3CCC[C@H](c4ccc(F)cc4)C3)cccc2n1,-0.477059543132782
+CC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.676008701324463
+O=C(CNC(=O)c1ccc(I)cc1)c1ccc(F)cc1,-1.1664403676986694
+Nc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1,-1.3324854373931885
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)cc1,-1.165799856185913
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9955403804779053
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.365129828453064
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3131541013717651
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-0.9686122536659241
+O=C(Cc1ccc(O)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.487247109413147
+CCCCCCC(=O)Nc1ccc(NC(=O)C(C)(C)O)cc1,-1.5739415884017944
+[NH3+][C@H]1C[NH+](Cc2ccc(Br)cc2)C[C@H]1Cc1ccccc1F,-0.9576555490493774
+O=C(c1cc2ccccc2s1)N1CCN(CC2CCCC2)CC1,-1.011267900466919
+Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9204796552658081
+O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.9571739435195923
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9974592328071594
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2132998704910278
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.5493690967559814
+Cc1cc(F)ccc1CC(=O)NCC[NH+]1CCC(C)CC1,-1.2164114713668823
+C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.316646933555603
+O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1CCO[C@@H](C2CCCC2)C1,-0.8292990922927856
+CC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.684952735900879
+O=C(NC1CC(F)(F)C1)c1ccc(-c2ccccc2)cc1,-1.2749953269958496
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9476078748703003
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9563329219818115
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1I,-0.7842283844947815
+CC(C)(C)NC(=O)N1CCN(c2ccc(Cl)cc2F)CC1,-0.7924376130104065
+CC(C)(CC(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.4513158798217773
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1310217380523682
+CC(C)C(=O)NCc1ccc(C(=O)CC(=O)[O-])cc1,-1.5602127313613892
+Cc1nc(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)no1,-0.8855656385421753
+CCOc1cccc(NC(=O)c2cc(Br)on2)c1,-1.5190099477767944
+CC1CCN(C(=O)NCC(O)=NCCc2ccccc2)CC1,-1.5161069631576538
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nc2)cc1,-0.9822530746459961
+O=C(Nc1ccc(N2CCOCC2=O)cc1)C1CCOCC1,-1.4980148077011108
+O=C(c1cc(F)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0144593715667725
+O=C(Nc1ccc(F)cc1)C1(c2ccc(Br)cc2)CCC1,-1.1362035274505615
+COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.5301166772842407
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.932015597820282
+C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1,-1.3542265892028809
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4490201473236084
+CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2C1,-1.25499427318573
+O=C(NC[C@H]1CCC[C@@H](O)C1)NC1CCCCC1,-1.6542134284973145
+CCNC(=O)c1cc(F)ccc1N1CCCC2(CCC2)C1,-1.0982389450073242
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.0910098552703857
+Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.1554874181747437
+O=C(NC1CCN(c2ccccc2O)CC1)c1ccc(O)cc1,-1.1793920993804932
+CC(C)(C)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1,-0.8197235465049744
+c1cc(N2CCCCC2)ccc1CNc1ccc2c(c1)OCCC2,-1.2072174549102783
+O=C(O)CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1,-1.4728126525878906
+OC(CSCc1ccc(F)cc1)=NCc1cccc(Cl)c1,-1.3115556240081787
+O=C(N[C@@H]1CCO[C@@H](c2ccsc2)C1)c1cc2ccccc2[nH]1,-1.1772538423538208
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2173237800598145
+Cc1sc2ccccc2c1NC(=O)Cc1ccc2c(c1)OCCO2,-0.8921051025390625
+C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2)CCO1,-1.5160551071166992
+C[C@@H]1CCCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1,-1.3971154689788818
+Cc1cc(NC(=O)C[C@@H](C)c2ccccc2)n(C(C)C)n1,-1.1283929347991943
+CC(C)(C)c1ccccc1C(=O)Nc1cc(Cl)ccc1N,-0.8486986756324768
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(Cl)c1,-1.016067624092102
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2058827877044678
+Cc1ccc(CCNC(=O)C(C)N2CCN(C)CC2)cc1,-1.341309666633606
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9722172021865845
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1O,-0.9872269630432129
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9755646586418152
+CC(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,-1.4348524808883667
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCOCC2)C1,-0.9806573390960693
+O=C(c1ccc(Br)cc1O)N1CCCC[C@H]1Cc1ccccc1,-0.9672134518623352
+O=C(CCCc1ccc(I)cc1)NCc1ccc(F)cc1,-1.3849928379058838
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.2189677953720093
+O=C(Nc1ccc2[nH]ncc2c1)c1cn[nH]c1C1CCCCC1,-0.901534378528595
+CC(=O)Nc1cccc(NCC2CCCCC2)c1,-1.6637517213821411
+C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6626031398773193
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9036324620246887
+CC1CCC(C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1,-1.032381296157837
+O=C(Nc1cc(-c2ccccc2)ccc1F)c1cccc(Cl)c1,-0.9739503264427185
+O=C(NC[C@@H](O)Cc1cccc(F)c1)c1cccc(Cl)c1,-1.2944221496582031
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305389404296875
+O=C(NC[C@@H]1CCCCO1)C(=O)N1CCc2ccccc2C1,-1.343036413192749
+Cc1cc(CNC(=O)N2CC3CCCCC3C2)ccc1F,-0.9708622694015503
+C[C@@H](Cc1ccccc1)[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.4416033029556274
+C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1cccc(Br)c1,-1.2190004587173462
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1783206462860107
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8823447227478027
+CC(=O)Oc1ccc(CNc2ccccc2)cc1,-1.6987932920455933
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)[C@@H](C)C2)cc1F,-0.6460664868354797
+Fc1cc(CNC2CCN(C3CCCCC3)CC2)ccc1Cl,-0.843636155128479
+O=C(COc1ccc(F)cc1)N[C@H]1C[C@H]1C1CCOCC1,-1.473310112953186
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700135231018066
+[NH3+]CC1CCN(C(=O)[C@H]2CCCCN2c2ccc(F)cc2)CC1,-0.9140267968177795
+O=C(O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9549410939216614
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0986788272857666
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@H]1O,-1.0424704551696777
+Cc1nsc(N2CCC[C@H](NC(=O)c3ccc(C)s3)C2)n1,-0.8108556270599365
+Nc1ccc(CC(=O)NC2C[NH+](C3CCCCC3)C2)cc1,-1.4293299913406372
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1cccc(F)c1)c1ccccc1Cl,-0.7909705638885498
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0789892673492432
+C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(O)cc1,-1.4091699123382568
+Cc1ccccc1NC(=O)N1C(=O)NC[C@@H]1c1ccccc1,-1.2000874280929565
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.5488719940185547
+O=C(Nc1ccccc1)C(=O)Nc1cccc2nccnc12,-1.3071233034133911
+O=C(Nc1ccc(Cl)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.0383743047714233
+O=CN1CC[NH+](CCc2ccccc2)CC1,-1.7719227075576782
+Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)oc1C,-0.9962802529335022
+O=C(Nc1ccc(O)c(F)c1)N[C@H]1CC12CCCC2,-1.3997001647949219
+Cc1ccc2occ(C[NH+]3CCN(c4ccc(F)cc4)[C@H](C)C3)c2c1,-0.6815354228019714
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1Cl)c1cccc(F)c1,-0.8339505791664124
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3803224563598633
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1493505239486694
+C[C@@H]1CN(C(=O)c2ncccc2F)CC[NH+]1Cc1ccccc1,-0.9850206971168518
+Cc1cc(C)c(C(C)C)c(C)c1,-1.4838637113571167
+CC(C)c1nc(C2CC[NH+](Cc3ccc(Br)cc3)CC2)no1,-0.8831974864006042
+Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,-0.9381230473518372
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)C(=O)N1CCCCC1,-1.368331789970398
+O=C(Cc1cccc(Br)c1)NCc1nc2ccccc2o1,-1.2254225015640259
+Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1,-1.4866083860397339
+O=C(c1ccc(Cl)cc1Cl)N1CCCC[C@H]1Cc1ccccc1,-0.8384367823600769
+CC1(C)CC[C@@H]1NC(=O)N1CCC[C@H]1c1ccc(F)cc1,-1.0298360586166382
+O=C(CCCc1ccccc1)N[C@H]1CCOc2ncccc2C1,-1.4589697122573853
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9597147107124329
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](O)C2)cc1,-1.542063593864441
+Clc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl,-1.0977778434753418
+O=C(NCc1nc2ccc(Cl)cc2o1)c1ccc(Cl)cc1,-0.8752160668373108
+CC[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2O)C1,-1.3811310529708862
+CCc1ccc2c(c1)CC[NH+](CC(=O)Nc1ccc(C)cc1)C2,-1.130518913269043
+Clc1ccc(N2CCC([NH2+]Cc3cccc(Br)c3)CC2)cc1,-1.0085976123809814
+CC(C)(C)N1CCC(NC(=O)Cc2ccccc2Br)CC1,-1.0648025274276733
+Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1,-1.1734018325805664
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0934159755706787
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.377347469329834
+Cc1cc(C(=O)NCN2CCc3ccccc32)ccc1Br,-0.9952418208122253
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1O,-1.0111101865768433
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1724101305007935
+NS(=O)(=O)CCc1ccc(OCc2ccccc2)cc1,-1.6280317306518555
+O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1F,-0.852838933467865
+C[NH+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1,-1.108327031135559
+O=C(NCc1cccc(Cl)c1)c1cc2ccc(Br)cc2o1,-0.9540787935256958
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCOCC1,-1.1338788270950317
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1,-1.0936187505722046
+Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)c1,-1.4716579914093018
+O=C(NCc1cccc(Cl)c1)c1ccc2nc(O)oc2c1,-1.0769678354263306
+Fc1ccc(Cl)cc1CN1CCC(Cc2ccccc2)CC1,-1.1282671689987183
+Cc1cc(F)ccc1CNC(=O)N1CCN(C)C(=O)C1,-1.0091304779052734
+Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl,-1.1355010271072388
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)nc1,-1.0764212608337402
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8885765075683594
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0492900609970093
+O=C(O)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1,-1.4600001573562622
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846031069755554
+O=C(NCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1,-1.4869848489761353
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.969373345375061
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1531044244766235
+Cc1ccc(N2CCC(NC[C@H]3CCC[C@H](C)C3)CC2)cc1,-1.2093429565429688
+Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cc1,-1.5312739610671997
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517553210258484
+C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)cc2)C1,-1.1362844705581665
+Cc1ccc(CNC(=O)c2ccc3nsnc3c2)cc1Cl,-0.7532297968864441
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCOCC2)CC1,-0.8418555855751038
+COc1ccc(Cc2nc(-c3ccc(Br)c(C)c3)no2)cc1,-1.0162655115127563
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3210525512695312
+Nc1ccc(-c2ccc(COc3ccc(F)cc3)cc2)cc1,-1.299475908279419
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307273864746094
+O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.6807278394699097
+O=C(CCc1ccc(F)cc1)N[C@@H]1CCN(c2ccccc2)C1,-1.502065658569336
+Cc1nc(NC(=O)Cc2cccs2)n(-c2ccccc2)n1,-1.1725834608078003
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0001822710037231
+CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1,-1.3691149950027466
+N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1,-1.0848411321640015
+CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.3517910242080688
+CCCCCCC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5182851552963257
+Cc1cc(I)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.089789628982544
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617050886154175
+Cc1cc(Br)c(-c2ccccc2)c(OCc2ccccc2)c1,-1.3000186681747437
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0771712064743042
+Cc1ccc(N2CCN(C(=O)c3ccc(CN)cc3)CC2)cc1,-1.0766171216964722
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4732639789581299
+O=C(N[C@H]1CCCC[C@@H]1c1cccc(Br)c1)c1ccccc1F,-0.8167891502380371
+CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)C1,-1.2509454488754272
+CS(=O)(=O)CCN1CCC(NC(=O)c2ccccc2)CC1,-1.5591731071472168
+C[NH+]1CCN(Cc2ccccc2)[C@H](Cc2ccc(F)cc2)C1,-1.3618347644805908
+C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCNC3=O)cc2)CCO1,-1.2777819633483887
+O=C(c1ccc2cc(O)ccc2n1)N1CCN(c2ccc(O)cc2)CC1,-0.6755277514457703
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.554743230342865
+O=C(Nc1ccc(-c2ccc(O)cc2)cc1)c1ncccc1O,-1.121706247329712
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1Cl,-0.991456925868988
+CCOc1ccc(NC(=O)N2CCC(O)C2)cc1,-1.6496785879135132
+CC(C)[C@H](C(=O)NCc1ccc(N)cc1)C1CCCCC1,-1.254162073135376
+O=C(NC1CCCCC1)[C@@H]1CCC(=O)N(c2ccccc2)C1,-1.3077090978622437
+CC(C)(O)CCC(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1,-1.024899959564209
+O=C1NC(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21,-1.0811269283294678
+c1ccc(Cc2noc([C@H]3CCC[C@@H](c4ccccc4)C3)n2)cc1,-1.199259877204895
+O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1,-0.8430989980697632
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.4775737524032593
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9903542995452881
+CC(C)(C)NCc1ccc(-c2ccc(F)c(F)c2)cc1,-1.0024865865707397
+Cc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1,-1.1490330696105957
+CN1CC[NH+](Cc2ncnn2C)[C@@H](Cc2ccc(Cl)cc2)C1,-0.8226931095123291
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCO3)C1,-1.2977962493896484
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1Cl)c1cccc(F)c1,-0.84303879737854
+CC(C)(C)C(=O)Nc1ccc(NC(=O)CCC[NH3+])cc1,-1.5574655532836914
+COc1ccc(C(=O)NCc2ncc(Br)s2)cc1,-1.3566603660583496
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3905279636383057
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4138615131378174
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1398262977600098
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)cn2)cc1,-1.0234990119934082
+COc1ccc(C2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.967665433883667
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2604378461837769
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.082066535949707
+O=C(Nc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1,-1.2953604459762573
+Cc1nc2ccc(C(=O)NCCc3ccc(C)o3)cc2[nH]1,-1.0659712553024292
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874140024185181
+CC[C@H](C)C(=O)NCC1CCN(C(=O)[C@@H](C)CC)CC1,-1.2473418712615967
+Cc1cc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)c(C)s1,-0.8212389945983887
+O=C(N[C@H]1C[C@@H](c2ccc(Br)cc2)C1)N1CCC[C@@H](O)C1,-1.1096762418746948
+Cc1cccc(C(=O)NCc2ccc3nc(C)sc3c2)n1,-0.8059504628181458
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255472660064697
+O=C(NC1(O)CCCCCC1)c1ccc(N2CCOCC2)cc1,-1.5193036794662476
+Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)on1,-0.8517117500305176
+Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)cn1,-1.1399869918823242
+CC1CC(C)CN(C(=O)CNC(=O)c2ccccc2)C1,-1.4469798803329468
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1322879791259766
+Cc1cccc(-c2ncsc2NC(=O)c2cc(C)on2)c1,-1.017664909362793
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.0970820188522339
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9688694477081299
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6184799671173096
+O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)C1CCCCC1,-1.3256280422210693
+CC[NH+](CCC1CCCCC1)CC(=O)NCc1ccc(F)cc1,-1.4906278848648071
+Cn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccc1F,-0.7730369567871094
+Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3388359546661377
+O=C(Nc1ccc(I)cc1)C1CC(c2ccc(F)cc2)C1,-0.9839436411857605
+CCCC(=O)Nc1ccc(CC(=O)N2CCC(C)CC2)cc1,-1.394755482673645
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6391783952713013
+O=C(NCc1ccc(I)cc1)N1CCC2(CCCC2)CC1,-1.3722591400146484
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2s1,-0.7932023406028748
+Cc1ccc(CN2C(=O)CC[C@H]2Cc2ccccc2)cc1,-1.512934684753418
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508814096450806
+CCc1ccc(C(=O)NCc2ccc(Br)cc2)o1,-1.5192780494689941
+O=C(NCc1ccccc1)[C@@H](c1ccccc1)C(F)(F)F,-1.461155652999878
+Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1,-1.48485267162323
+Nc1ccc(Cl)cc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0158158540725708
+O=C(Nc1ccc(F)nc1)N1CCC[NH+](C2CCCCC2)CC1,-1.0718011856079102
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(O)cc2)cc1,-1.5303633213043213
+C[C@@H]1CCN(C(=O)Nc2cccc(O)c2)C[C@@H]1C(N)=O,-1.1922303438186646
+Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1,-1.1041823625564575
+O=C(Nc1ccc(F)cc1O)N1CCC(c2ccccc2)CC1,-1.1498146057128906
+CC(C)(CC(=O)NCc1ccccc1)Cc1ccccc1,-1.6313207149505615
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.286207914352417
+N[C@H]1CCC[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1,-1.2319598197937012
+O=C(Nc1ccc(Br)cc1F)c1cccc(-c2ccccc2)c1,-0.943324863910675
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318604230880737
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8932393789291382
+Cc1ccccc1C(=O)NC(=O)N1CCC2(CCCCC2)C1,-1.3889058828353882
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2ccccc2F)C1,-0.9042032361030579
+C[C@H](O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-1.244752287864685
+Cc1ccc(NC(=O)CN=C(O)c2c[nH]nc2-c2ccccc2)cc1,-1.0800377130508423
+Cc1ccc(NC(=O)CCOc2cccc(F)c2)c(F)c1,-1.3310668468475342
+C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.229842185974121
+O=C1CCCN(c2cccc(NC(=O)c3ccccc3)c2)C1,-1.4471031427383423
+Clc1ccc(CNc2ccc(Cl)cc2-c2ccccc2)cc1,-1.020731806755066
+CC1(C)OCC[C@H]1C(=O)N1CC[C@@H]2CC[C@@H](C1)[NH+]2C1CCOCC1,-0.915203869342804
+CN(C(=O)Cc1ccccc1)C1CCN(c2ccccc2)CC1,-1.3794370889663696
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.308052897453308
+CC(C)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nn2C)C1,-0.7668902277946472
+Cc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1,-1.2404028177261353
+Cc1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1,-1.3040040731430054
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H](C)CO1,-1.2955067157745361
+Nc1c(F)cccc1C(=O)N1CCC(Nc2ccccc2)CC1,-1.0926941633224487
+CC(C)(O)CN1CCCN(C(=O)NCCC(F)(F)F)CC1,-1.3240773677825928
+Nc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.2864876985549927
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.3008155822753906
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.3519649505615234
+O=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1,-1.1395201683044434
+C[NH+]1CCC(NC(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.0744749307632446
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3053315877914429
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.0779966115951538
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4775735139846802
+O=C(NCc1ccc(Br)nc1)Nc1ccccc1,-1.5423986911773682
+Cc1ccc(C(=O)Nc2cn(C)nc2-c2cccs2)cc1,-1.0619425773620605
+O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2F)C1,-0.9419158697128296
+Cc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)s2)cc1,-0.8218942284584045
+Cc1ccc(C(=O)NC2C[NH+](C3CCOCC3)C2)cc1F,-1.1603227853775024
+O=C1CCN(c2ccccc2)CC1,-1.8289737701416016
+[NH3+][C@H]1CCCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1,-1.331658959388733
+Cc1cc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1,-0.6925893425941467
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1879746913909912
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)CCCN2,-1.0475610494613647
+O=C(C[NH+]1CCC(O)CC1)N1CCC(Cc2ccccc2)CC1,-1.479146122932434
+O=C(Oc1ccccc1)c1ccccc1,-1.8111084699630737
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.062585473060608
+Cc1cccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)c1,-1.1108241081237793
+C[NH+]1CCC(NC(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.0221806764602661
+O=C(c1ccc(F)cc1O)N1CCC(Oc2ccccc2)CC1,-1.2785929441452026
+Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(Br)c2)CC1,-1.0108505487442017
+Cc1ccc(CNC(=O)[C@@H]2CCCC23CCCC3)cc1Br,-1.0703315734863281
+CC(C)c1ccc(NC(=O)C2CCC(=O)N(C)C2)cc1,-1.130350947380066
+COc1ccc(C(=O)N2CCN(c3ccc(N)cn3)CC2)cc1,-1.0180498361587524
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)cc1,-1.0410977602005005
+CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.545859932899475
+O=C(Nc1ccc(F)cc1F)c1ncccc1-c1ccccc1,-0.9002015590667725
+Nc1cccc(N2CCC(NC(=O)c3ccccc3Br)CC2)c1,-0.8938698768615723
+CC1(C)C[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1,-1.568485140800476
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2cnccc2[nH]1,-1.0486863851547241
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(F)c1,-1.044765591621399
+Cc1cc(F)ccc1C(=O)N[C@H]1CCC[NH+](C2CCOCC2)C1,-1.0439029932022095
+O=C(CNc1ccc2c(c1)OCCO2)NC1CCCCC1,-1.518547534942627
+O=C(Cc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1,-1.4526337385177612
+Cc1cc(O)ccc1NC(=O)Nc1ccc2c(c1)OCO2,-1.26480233669281
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9939764142036438
+Cc1nc(C(=O)NCCCc2ccc(Cl)c(F)c2)c(C)o1,-0.8825163841247559
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.0772255659103394
+Cc1ccc(F)c(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1,-1.1435781717300415
+O=C(c1cc(O)c2ccccc2c1)N1CCC(c2ccc(F)cc2)CC1,-0.6424453854560852
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0269228219985962
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1005791425704956
+CCc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1,-1.6838293075561523
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CC[NH+]1CC1CCCCC1,-1.1609162092208862
+CCCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1,-1.5840204954147339
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0230731964111328
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.391802191734314
+CC(C)(O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1,-1.3920990228652954
+CCCCC(=O)N1CCN(Cc2ccc(C(=O)O)cc2)CC1,-1.5173710584640503
+O=C(c1cccc(F)c1)N1CCN(c2cccc3cc(Cl)ccc23)CC1,-0.4910595715045929
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3006361722946167
+CN1CC[NH+](CCC(=O)NCc2ccc(F)cc2F)CC1,-1.1291258335113525
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9908217191696167
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2084156274795532
+CN1CCN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1c1ccc(F)cc1,-0.45522943139076233
+CC(=O)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1,-1.4664175510406494
+CC(C)C(C)(C)c1ccc(NC(=O)c2ccccc2)cc1,-1.358081340789795
+O=C(NC1CC[S+]([O-])CC1)c1ccc(N2CCOCC2)cc1,-1.3532668352127075
+Cc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1,-0.6221152544021606
+O=CN1CCN(c2ccccc2)CC1,-1.8056188821792603
+C[NH+]1CCC[C@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.4399217367172241
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5544995069503784
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.222181797027588
+Cc1ccc(F)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1,-1.0480246543884277
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.1956199407577515
+O=C(Nc1ccccc1N1CCOC1=O)N1CCC(O)CC1,-1.294489860534668
+O=C(c1csc2ccccc12)N1CC[C@@H](C[NH+]2CCCCC2)C1,-1.035394310951233
+Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1Cl,-0.6952354907989502
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.0017790794372559
+O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.7855057716369629
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.275866150856018
+C[C@@H](CC(=O)NCc1ccc(F)c(Br)c1)c1ccccc1,-1.1473307609558105
+Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C)s2)cc1,-1.1047300100326538
+CC(C)[NH+]1CCN(C(=O)N2CCN(C3CCCCC3)CC2)CC1,-0.9566383361816406
+N#Cc1ccc(OCc2ccc(N)c(-c3ccccc3)n2)cc1,-1.1142632961273193
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-0.9915750622749329
+O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1,-0.8489046096801758
+O=C(NCc1ccc(F)c(F)c1)N1CCC2(CC2)C1,-1.2030835151672363
+O=C(c1ccccc1O)N1CCCC[C@H]1Cc1ccc(Cl)cc1,-1.016607403755188
+O=C(NC1CCN(c2ccc(Cl)cc2Br)CC1)c1ccccc1,-0.9210193157196045
+O=C(c1ccc(F)cc1)N1CCN(c2ccc3cc(F)ccc3c2)CC1,-0.5936930179595947
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.055987000465393
+Cc1nc2ccc(CNC(=O)N3CCC[C@H](F)C3)cc2[nH]1,-0.8700485229492188
+CC(C)CCC(=O)NCc1noc(-c2ccc(O)cc2)n1,-1.293921947479248
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.250256061553955
+Oc1ccc(CN2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.2932193279266357
+O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1,-1.3432629108428955
+[NH3+][C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.1491832733154297
+CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.5035035610198975
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.6804336309432983
+C[C@@H]1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1,-1.5071576833724976
+Cc1cccc(-c2nnc(NC(=O)c3ccc(C)o3)s2)c1,-0.9914430379867554
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3392990827560425
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0561410188674927
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.1920174360275269
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(Br)c1,-1.0556750297546387
+Cc1ccc(C(=O)N2CC3(CCN(c4ccc(F)cc4)C3)C2)cc1,-0.9796484112739563
+O=C(COc1ccc(Br)cc1)Nc1nc2ccccc2s1,-1.1911486387252808
+Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)no1,-0.924809455871582
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2c1,-0.6423400044441223
+O=C(C1CCCCC1)N1CCN(CCc2ccc(F)cc2)CC1,-1.225486397743225
+C[C@@H]1CCCC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCCC2,-0.8168211579322815
+Cc1nc(-c2ccc(NC(=O)c3nnc(C)s3)cc2)no1,-0.8357683420181274
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1O,-1.420058012008667
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0200353860855103
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0155185461044312
+CCc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1,-1.1198066473007202
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.01339590549469
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1949518918991089
+O=C(c1ccccc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1758404970169067
+O=C(Cc1ccc(F)cc1)NC[C@@H]1C[C@@H]2CCCC[C@H]2O1,-1.4359803199768066
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464731454849243
+CC[C@H](N)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,-1.4667398929595947
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.4920724630355835
+CC(O)(CNC(=O)c1ccc(Cl)cc1)Cc1ccccc1,-1.528419852256775
+Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.059532880783081
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[C@@H](F)C1,-1.134304165840149
+O=C(Nc1ccc(F)cc1O)C1CCN(c2ccccc2)CC1,-1.1914310455322266
+CN1CC[NH+](CCCNC(=O)c2ccc(F)c(I)c2)CC1,-0.9108293056488037
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.309103012084961
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.147647738456726
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.210252046585083
+C[C@@H]1CCCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.440498948097229
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2457259893417358
+Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.3049036264419556
+Oc1nc(NCc2ccccc2)cc(-c2ccc(F)cc2)n1,-1.086746335029602
+Cc1ccccc1CCC(=O)NCc1ccc(Br)c(Cl)c1,-1.0100423097610474
+CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-0.9391694664955139
+C[C@H]1C[NH+](Cc2ccc([N-])cc2)CCN1Cc1ccccc1,-1.5180083513259888
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858071088790894
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8312685489654541
+Cc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.165549874305725
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2674733400344849
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1229121685028076
+Cc1cc([NH3+])ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0926437377929688
+Cc1cc(Br)c(O)cc1NC(=O)c1ccc(C(C)C)cc1,-0.8567759990692139
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cn1,-0.9288755655288696
+CC(C)([NH3+])C[NH+]1CCC(NC(=O)c2ccc(F)cn2)CC1,-1.073997139930725
+c1ccc(-c2nnc(CNCC3CCCC3)s2)cc1,-1.4031624794006348
+Cc1ccc(C(=O)CNCc2ccc3c(c2)OCO3)cc1,-1.4064221382141113
+O=C(NC1(C(=O)[O-])CCCCC1)c1ccc([O-])c(Cl)c1,-1.1669933795928955
+O=C(NCc1ccc(Cl)cc1)N1CCCC2(CCCC2)C1,-1.4128361940383911
+O=C(NC[C@H]1CCCC[C@H]1O)C1CCC2(CCCCCC2)CC1,-1.43275785446167
+Oc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl,-1.0499005317687988
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2991273403167725
+O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4162975549697876
+c1ccc(CNCC2CC(N3CCOCC3)C2)cc1,-1.6539424657821655
+O=C(Nc1ccc(Br)cc1)N1CCO[C@H](c2ccccc2F)C1,-1.0123814344406128
+C[C@@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.362854242324829
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588106393814087
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1566276550292969
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)[C@H]1CCCC[C@@H]1O,-1.1495654582977295
+Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(F)c1,-1.060895323753357
+CC(=O)N[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C)c1,-0.9351258277893066
+O=C(Cc1ccc(O)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.5748447179794312
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(Br)cc1,-1.012968897819519
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.7206687927246094
+Oc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.9945122003555298
+O=C(N[C@@H]1CCC[C@H](F)C1)N1CCC(c2ccc(F)cc2)CC1,-1.0062613487243652
+O=C(C1CC1C(O)=NC1CCCC1)N1CCC(c2ccccc2)CC1,-0.9547078013420105
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2824101448059082
+O=C(Cc1ccc(I)cc1)NCC(=O)c1ccccc1,-1.438766598701477
+COc1ccc(CCNC(=O)[C@H]2CCOc3ccccc32)cc1,-1.4489202499389648
+O=CC[NH+]1CCC(C(=O)[O-])CC1,-1.9033936262130737
+Cc1cc2c(O)nc(-c3ccc(NC(=O)CC(C)C)cc3)nc2s1,-0.48947030305862427
+O=C(NCc1ccc(F)c(Br)c1)c1c[nH]c2ccccc12,-0.8535692095756531
+CC1CC(Nc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2021476030349731
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517451286315918
+O=C(NC(=O)N1CCc2cc(F)ccc2C1)c1ccccc1,-1.0810878276824951
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3305838108062744
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0857219696044922
+O=C1C(NCc2ccc(F)cc2)CCN1c1ccccc1,-1.2857693433761597
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(F)nc1,-0.9367179274559021
+Cc1cccc(OCC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.4100149869918823
+c1ccc(-c2ccc(Cc3nnc(-c4ccccc4)o3)cc2)cc1,-1.2630236148834229
+Cc1cc(F)ccc1CNC(=O)CCc1cccc(O)c1,-1.3481076955795288
+C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)O)cc2)CC1,-1.5133949518203735
+Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)nc1,-1.3662687540054321
+Cc1ccc(NC(=O)N2CCC[C@@H](C(O)=NC3CC3)C2)c(C)c1,-0.9302434325218201
+O=C(Nc1ccccc1O)N1CCC[C@H](c2cccc(F)c2)C1,-1.0701671838760376
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1Cl,-0.7886670231819153
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0001360177993774
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCCCC1,-1.3205633163452148
+CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4222412109375
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1902618408203125
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.55066978931427
+Cc1ccc(CNC(=O)c2cc3ccc(F)cc3[nH]2)cc1,-1.223702311515808
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3488750457763672
+Cc1ccc([C@H]2CCC[C@@H]2NC(=O)Cc2cccs2)cc1,-1.3300999402999878
+C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0049442052841187
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8103041648864746
+O=C([O-])CCNC(=O)NCc1cccc(I)c1,-1.5411732196807861
+COc1ccc(C(=O)NCCc2ccccc2F)cc1,-1.511562705039978
+Cc1cccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)c1,-1.1129848957061768
+Cc1ccc(C(=O)Nc2cn[nH]c2-c2ccc(Cl)cc2)s1,-0.8641331195831299
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.928028404712677
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3478623628616333
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9539931416511536
+Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.3975939750671387
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464798212051392
+Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(O)cc2)c1,-1.5314009189605713
+Cc1ccccc1C(=O)N[C@H]1CCCO[C@H]1c1ccc(F)cc1,-1.2150591611862183
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.05947744846344
+CCc1[nH]ncc1C(=O)NC1CC[NH+](CCCF)CC1,-1.4107669591903687
+O=C(Nc1ccc(O)cn1)c1ccc(-c2ccccc2Cl)cc1,-0.9661769270896912
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503616094589233
+O=C1C[NH+](c2ccccc2)C(=O)N1CCOc1ccccc1,-1.5227123498916626
+O=S(=O)(NCc1ccc2ccc(F)cc2c1)c1ccc(F)cc1,-1.020998477935791
+Nc1ccc2nc(CNC(=O)CC3CCCCC3)[nH]c2c1,-1.0722887516021729
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6713348627090454
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1041415929794312
+Cc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2764796018600464
+O=C(NC1CCN(c2ccccn2)CC1)c1cc(F)ccc1Cl,-0.8776327967643738
+Cc1ccc(NCc2ccccc2N2CCOCC2)cc1C,-1.2787073850631714
+O=C(NCc1ccc2ccccc2n1)c1ccc2[nH]cnc2c1,-0.8705216646194458
+CC(C)(O)CNC(=O)N1CCC(c2cccc(F)c2)CC1,-1.5049220323562622
+Cc1cc(C)c2[nH]c(C(=O)NCc3ccccc3)cc2c1,-1.130383849143982
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0455302000045776
+C[C@H]1CN(c2ccc(F)cc2)CC[C@@H]1NC(=O)c1ccccc1,-1.0464667081832886
+CCOc1ccc(NC(=O)N2CC[C@H](O)C2)cc1,-1.650033950805664
+O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(O)cc1,-1.535019040107727
+O=C(NCc1ccc(O)cc1Cl)c1ccc2c(c1)CCN2,-0.9201758503913879
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748057126998901
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-0.9960963129997253
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3509893417358398
+O=C(N[C@@H]1CC12CCC2)N1CCC[C@@H]1c1ccc(Cl)cc1,-1.0309141874313354
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464774370193481
+O=C(Nc1cc(Cl)ccc1O)N1CCC(c2ccccc2)CC1,-0.9783468842506409
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C(=O)c1ccccc1,-1.1325702667236328
+CC(C)(C)C(=O)NC1CCN(C(=O)c2ccc[nH]2)CC1,-1.3257180452346802
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1036875247955322
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.240864872932434
+C[NH+]1CCC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1,-1.011309266090393
+Cc1ccc(NC(=O)COc2ccc(Br)cc2C)c(O)c1,-1.2271312475204468
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)ccc1F,-0.9801923632621765
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1,-0.9759120941162109
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.9949322938919067
+[NH3+]C1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1491729021072388
+O=C(c1ccccc1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1,-1.4397932291030884
+Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0436749458312988
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0137814283370972
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.8550698757171631
+CCCCCCCCCCCCCCCCCC,-1.8255321979522705
+O=C(NCC[NH+]1CCCC12CCCC2)c1noc2c1CCCC2,-1.0818976163864136
+O=C(c1cccc(Cl)c1F)N1CCC(Cc2ccccc2)CC1,-0.9046048521995544
+CC(C)CNc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.469681978225708
+C[C@H](CCc1ccc(F)cc1)NC(=O)c1ccc(Br)cn1,-1.0375680923461914
+O=C(N[C@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(I)cc1,-0.9443163275718689
+O=C(Nc1nccn1C1CCCCC1)c1c[nH+]c2ccccn12,-1.0347710847854614
+O=C(Nc1ccc(N2CCCCC2=O)cc1)N1CCCCC1,-1.3323125839233398
+Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-0.9975487589836121
+CC(C(=O)Nc1ccccc1)S(=O)(=O)Cc1cccc(O)c1,-1.49973464012146
+Cc1ccc(NC(=O)C2CC[NH+](CC(C)(C)O)CC2)cc1,-1.531224012374878
+Nc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Cl)c1,-0.9098357558250427
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3722507953643799
+COc1ccc(C(=O)N[C@@H]2[C@H]([NH3+])CC23CCCCC3)cc1,-1.3826425075531006
+Cc1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)o1,-1.1291513442993164
+O=C(Nc1ccc(N2CCCC2)cc1)C(=O)N1CCOCC1,-1.501449704170227
+O=C(Nc1ccc(O)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.9929768443107605
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1985859870910645
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(O)cc3)C2)cc1,-1.1660609245300293
+O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.0732120275497437
+Cc1ccc2oc(CNC(=O)c3ccc(F)cc3)cc2c1,-1.1807509660720825
+CC(C)C(=O)N1CCC(NC(=O)[C@H](C)c2ccccc2)CC1,-1.2768560647964478
+N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1,-1.2817751169204712
+O=C(Nc1cnn(-c2ccccc2)c1)c1cc2ccccc2o1,-1.2242473363876343
+Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1,-1.1342514753341675
+O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.380115270614624
+O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1,-0.8341975808143616
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.070785641670227
+Cc1ccc(NC(=O)[C@H]2CCC[NH+](C3CCCCC3)C2)c(F)c1,-0.9667945504188538
+Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)c(Cl)c1,-0.7239342331886292
+Cc1ccc(C[NH+]2CCN(C(=O)C3CCOCC3)CC2)c(F)c1,-1.092029333114624
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9788932204246521
+O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.4994555711746216
+O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1,-1.1600773334503174
+COCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.6251579523086548
+COc1cccc(CNC(=O)c2cnn(C)c2)c1,-1.6101751327514648
+CCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.122785210609436
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617044925689697
+Cc1ccc(C(=O)NC2CCC(c3ccc(C)s3)CC2)o1,-1.1240663528442383
+Nc1ccc(C(=O)NCC(O)Cc2ccc(F)cc2)cc1,-1.3895299434661865
+Cc1ccc(N2CCC(N(C)C(=O)C3CCCCC3)CC2)cc1,-1.0444598197937012
+O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1,-1.520991563796997
+O=C(NC1CCC1)N(CCl)Cc1ccc(Br)cc1,-1.3560189008712769
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.384681224822998
+O=C(c1cc(O)ccc1O)N1CCN(Cc2ccccc2)CC1,-1.3857570886611938
+Cc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1,-0.9182463884353638
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccn2)CC1,-0.8450134992599487
+O=C(Nc1ccccc1)N1CC[S+]([O-])[C@@H](c2ccccc2)C1,-1.497953176498413
+O=C(Nc1ccc(F)cc1)N1CCC[NH+](C2CCOCC2)CC1,-1.3079427480697632
+O=C(OCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.2480484247207642
+Nc1ccc([C@@]2(NC(=O)c3ccccc3)CCNC2=O)cc1,-1.2980471849441528
+O=C(Nc1ccc(Br)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.0625982284545898
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cn1,-1.0334075689315796
+O=C(Nc1ccc(Br)cc1)C1CC(c2ccc(F)cc2)C1,-1.0225245952606201
+COc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)cc1,-1.4668937921524048
+O=C(Nc1ccc(-c2nccs2)cc1)c1cc2ccccc2o1,-1.08442223072052
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.038408875465393
+Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1,-0.7652568221092224
+CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1,-0.6046081781387329
+Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.2737222909927368
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.099177598953247
+C[C@H]1[C@@H](NC(=O)N2CCOC[C@@H]2c2ccccc2)CCC[NH+]1C,-1.1241480112075806
+O=C(Cc1nc2ccccc2s1)NCc1ccc(O)cc1,-1.2026640176773071
+O=C(CCc1ccccn1)N1CC[NH+](Cc2ccccc2)CC1,-1.4932700395584106
+CCc1ncc(C(=O)NCc2ccc(Cl)cc2)s1,-1.1604194641113281
+Cc1csc(NC(=O)c2ccnn2-c2ccc(Cl)cc2)n1,-0.8206999897956848
+O=C(Nc1cccc2ccsc12)c1ccc(N2CCCC2)nc1,-1.0317249298095703
+C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4785786867141724
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCCC(O)C1,-1.4254043102264404
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1,-1.680184245109558
+Nc1cc(F)ccc1NC(=O)[C@H]1CCC[NH+](C2CCCCC2)C1,-0.8435430526733398
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2occc2c1,-1.3337560892105103
+O=C(c1ncccc1O)N1CCC[C@H](Cc2ccc(Cl)cc2)C1,-0.9393436312675476
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.1100422143936157
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9953816533088684
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2780126333236694
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9724938869476318
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3660622835159302
+O=C(Nc1ccc(O)cc1Cl)N1CCN(c2ccccc2)CC1,-1.019266963005066
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0559128522872925
+CC1(C)CCCN(C(=O)NCc2nc3ccccc3o2)C1,-1.3037129640579224
+COC(=O)c1ccc(NC(=O)c2ccncc2)cc1,-1.5926703214645386
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6702783107757568
+Cc1ccc(-n2ncc(C(=O)N[C@H]3CCCC[C@@H]3O)c2C)cc1,-0.8417665362358093
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1ccc(Br)cc1,-1.1780823469161987
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1603634357452393
+Cc1nonc1NC(=O)[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9162427186965942
+CN1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2032809257507324
+Cc1nc2cc(C(=O)NCc3ccc([O-])cc3)ccc2o1,-1.170937180519104
+CC1CN(C(=O)C(C)COCc2ccccc2)CC(C)O1,-1.5490087270736694
+Cc1cc(Br)ccc1OC1CCN(C(=O)c2ccccc2)CC1,-1.0556620359420776
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1048004627227783
+Cc1ccc(NCc2ccccc2-c2ccc(I)cc2)cc1,-1.2294199466705322
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2o1,-0.9926838278770447
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1F,-0.8620670437812805
+C[NH+]1CCN(C(=O)CNc2ccc(-c3ccccc3)cc2)CC1,-1.5050387382507324
+Cc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.5397430658340454
+Cc1ccccc1NC(=O)c1ccccc1N1CC[NH+](C)CC1,-1.0993967056274414
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.03043532371521
+CC1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCCCC1,-1.5027858018875122
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.9799097180366516
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0334876775741577
+O=C(N[C@H]1CCN(C2CCCCC2)C(=O)C1)c1ccccc1,-1.4420868158340454
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0365256071090698
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncoc2c1,-1.0086497068405151
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0652896165847778
+COc1ccc(CNCCN2CCN(C)CC2)cc1,-1.6826062202453613
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0103554725646973
+Cn1cc(CNC(=O)Cc2ccc(F)c(Br)c2)cn1,-1.2122836112976074
+O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2s1,-1.0248223543167114
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1236820220947266
+COc1ccc(-c2noc(CN3CCOC(C)(C)C3)n2)cc1,-1.4219571352005005
+COc1ccc(C(=O)NCc2noc(C)n2)cc1,-1.5568766593933105
+N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.453974962234497
+COc1ccc(CC(=O)N[C@H]2CCC3(CCCC3)C2)cc1,-1.5641199350357056
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758701920509338
+O=C(Nc1ccc(N2CCCC2)cc1)N1CCc2[nH]ncc2C1,-0.9806841611862183
+O=C(N[C@H]1CCC[C@H](O)C1)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0725212097167969
+CC[NH+]1CCC(C(=O)Nc2ccccc2S(C)(=O)=O)CC1,-1.505918264389038
+Cc1ccc(C[C@H](O)CNC(=O)N2CCC[C@H](C)C2)cc1,-1.5072599649429321
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2116761207580566
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9717472791671753
+O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3520760536193848
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3013010025024414
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0240987539291382
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1349726915359497
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2289438247680664
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9000198245048523
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1,-1.246925950050354
+CC(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.4740862846374512
+O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1,-1.0282800197601318
+O=C1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1,-1.3400721549987793
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.3797905445098877
+O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC[C@@H](F)C1,-0.7817699313163757
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.106018304824829
+Cc1cc(CC(N)=O)no1,-1.9160929918289185
+C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.043618083000183
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4673445224761963
+NC(=O)c1ccc(C(=O)N2CCCC(C3CCCC3)C2)cc1,-1.0467767715454102
+O=C(c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.3517733812332153
+O=C([O-])[C@@H]1CCC[NH+]1Cc1noc(-c2ccc(F)cc2)n1,-1.0144644975662231
+Cc1csc(N=C(O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1,-0.7039758563041687
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2644082307815552
+O=C([O-])c1ccc(O)c(Cl)c1,-1.8098198175430298
+Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2o1,-1.1952694654464722
+CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.636102557182312
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2045598030090332
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531215786933899
+Nc1cccnc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.8511068820953369
+Cc1ccc(NC(=O)c2cccc(C)c2)cc1,-1.6469080448150635
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9636019468307495
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9364145398139954
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.8890825510025024
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.0333642959594727
+CC(=O)N1CCN(C(=O)c2ccsc2-c2ccccc2)CC1,-1.0747476816177368
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.4737306833267212
+CS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2)cc1,-1.5441367626190186
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9761443734169006
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.90669846534729
+C[NH+]1CCC[C@H](CNC(=O)Nc2ncccn2)C1,-1.6020475625991821
+CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCCF,-1.2899329662322998
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9903455376625061
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.276353359222412
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0900923013687134
+Cn1cc(NC(=O)NCCc2ccccc2)cn1,-1.668539047241211
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835817217826843
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Cl)c1)CC2,-0.6616798043251038
+O=C(NCc1cccc(Cl)n1)NC1CCCCC1,-1.5263681411743164
+COc1ccc(CNC(=O)c2cc(C)sn2)cc1,-1.4816491603851318
+O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(I)cc1,-0.9000058770179749
+Cc1ccc(C(=O)NCc2c[nH+]c3ccccn23)cc1F,-1.0613486766815186
+O=C(N[C@H]1CCCC[C@@H]1O)C1CCN(c2ccc(F)cc2)CC1,-1.1012005805969238
+Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-0.9316381812095642
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.026814579963684
+Cc1ccc(CNC(=O)C[NH+]2CC[NH+]3CCC[C@H]3C2)cc1,-1.4434679746627808
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2746700048446655
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(Br)c1,-1.250688910484314
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.077655553817749
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5102459192276
+Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)c(C)c1,-1.0275944471359253
+Cc1cc(C(=O)Nc2ccc(-c3noc(C)n3)cc2)no1,-1.1673415899276733
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(I)cc1,-1.2302170991897583
+CC1CC[NH+](Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1,-1.4897369146347046
+CC(C)C[C@@H]1CCCN(C(=O)N[C@H]2CCCC23CCOCC3)C1,-1.4924657344818115
+O=C(NCc1cccc(Br)c1F)c1ccc2c(c1)CCO2,-0.8464609384536743
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6174893379211426
+CCOCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,-1.5496636629104614
+O=C(NC1CCN(c2ccc(F)cc2)CC1)C1CCCc2ccccc21,-0.7053073048591614
+Cn1cc(C(=O)NCc2ccc(O)cc2)c2ccccc21,-1.166412353515625
+c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2541080713272095
+C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3152565956115723
+N#CC1CCCN1C(=O)c1ccc(C(=O)N2CCCCC2)cc1,-1.0276283025741577
+CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)C2)cc1,-1.1405973434448242
+Cc1nc(C)c(C(=O)NCC(O)c2ccc(Cl)c(Cl)c2)s1,-0.5675368905067444
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.532843828201294
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[nH]ncc2c1,-1.052780032157898
+COc1cccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1,-1.1921663284301758
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9716892242431641
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0828969478607178
+Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1022963523864746
+C[NH+]1CCC[C@@H](NC(=O)c2ccc(CC(C)(C)O)cc2)C1,-1.523489236831665
+Cc1ccc(NC(=O)Nc2ccc3nn(C)nc3c2)cc1,-1.0335434675216675
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2586618661880493
+Cc1cc(-c2ccccc2)nc(COc2ccc(F)cc2)n1,-1.0496660470962524
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0723117589950562
+Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1S(N)(=O)=O,-1.0903629064559937
+O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(O)cc1,-1.3527499437332153
+Cc1ccc([C@@H]2CCC[C@@H]2C(=O)Nc2cc(C)no2)cc1,-1.1809085607528687
+CC(C)c1ccc(C(=O)N[C@@H]2CCC3(CCCC3)C2)cc1,-1.3605512380599976
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ncccc1F,-0.8091634511947632
+Cc1ccc(COC(=O)[C@@H]2COC3(CCCCC3)O2)cc1,-1.615394949913025
+CCOc1ccc(CNc2ccc(Cl)cc2F)cc1,-1.3520166873931885
+CC(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4470467567443848
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(C)c1,-1.2835379838943481
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.2301573753356934
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9898919463157654
+COc1cccc(CNC(=O)c2ccc(Cl)s2)c1,-1.5619698762893677
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915019869804382
+c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1,-1.1747045516967773
+O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-0.9789101481437683
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2s1,-0.9831188917160034
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.0789731740951538
+O=C(CCc1ccccn1)NC1CCN(c2ccccc2)CC1,-1.481217861175537
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4309452772140503
+C[NH+]1CCN(Cc2ccc(Nc3ccc(F)cc3)cc2)CC1,-1.3777728080749512
+CC(C)CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.5155601501464844
+Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)no1,-1.199029564857483
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7695959210395813
+C[NH+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.4892902374267578
+Cc1cc(I)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.086060643196106
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0075734853744507
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.1095489263534546
+Clc1cc(NCc2ccc(I)cc2)ccc1N1CCCCC1,-0.9119184613227844
+O=C(NCc1ccc(F)c(O)c1)c1cc2ccccc2s1,-1.001365303993225
+O=C(O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-1.034881591796875
+COc1ccc(OCC(=O)N2CCC3(CCCCCC3)C2)cc1,-1.5198750495910645
+C=CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1,-1.5912774801254272
+Cc1ccccc1C(=O)Nc1cc(F)ccc1N1CCCCC1,-0.9740954041481018
+C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9333970546722412
+O=C1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1,-1.4857378005981445
+CC(C)Cc1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1,-1.005564570426941
+Cc1ccc(C[C@H](O)CNC(=O)c2cccc(Cl)c2)cc1,-1.4932743310928345
+Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)n[nH]1,-0.8237214684486389
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.531274676322937
+CN1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9693501591682434
+CC(C)C(Cl)(C(=O)NCc1ccccc1)c1ccccc1,-1.4585210084915161
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.631690263748169
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.066605806350708
+Cc1ccc(CNC(=O)CCCc2ccc(O)cc2)nc1,-1.5337727069854736
+Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2148089408874512
+O=C(CC(F)(F)F)N1CCN(C(=O)c2cccc3ccccc23)CC1,-0.6828934550285339
+O=C(NC[C@H]1CC2(CCC2)O1)C1CC2(CCCC2)C1,-1.6426142454147339
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3C)C2)cc1,-1.1067423820495605
+Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.2314074039459229
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0726604461669922
+O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.8981975317001343
+O=C(Nc1ccccc1)c1cccc(OCCCO)c1,-1.6714192628860474
+c1ccc(CN2CCN(c3nsc(-c4ccccc4)n3)CC2)cc1,-1.0554289817810059
+CN1CC[NH+](CC(=O)N2CCC(Sc3ccccc3)CC2)CC1,-1.2844018936157227
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1,-1.0174683332443237
+CC(=O)N1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1,-0.9827747941017151
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0830072164535522
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1861748695373535
+Cc1nc2c(s1)CC[NH+](CC(=O)NCc1ccccc1)C2,-1.0634715557098389
+CCNC(=O)[C@@H]1CCCN(C(=O)c2cscc2N)C1,-1.2679041624069214
+CN(C)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1190299987792969
+CC1CCN(C(=O)N2CC3(CCCC3)[C@@H]2c2cccc(F)c2)CC1,-0.8566786050796509
+C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3O)c2)CC1,-1.1890921592712402
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cl)co2)CC1,-1.1431485414505005
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)nc2)CC1,-1.1797966957092285
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-1.068827748298645
+CN1CC[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.3550258874893188
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0541462898254395
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2Cl)cc1,-1.2356215715408325
+O=C([O-])C1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.5001881122589111
+C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC3(CCCCC3)O2)C1,-1.563618540763855
+CC[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1,-1.0347481966018677
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.966853678226471
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5293372273445129
+C[C@@H]1CN(C(=O)c2ccc3ccc(F)cc3n2)[C@H](c2ccccc2)CO1,-0.6589762568473816
+CCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9489192962646484
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1252212524414062
+O=C(NCC1CC1)[C@@H]1CCC[C@@H]1c1ccccc1,-1.6465733051300049
+O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1F,-1.6508713960647583
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0083988904953003
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)nc2)cc1,-1.4563759565353394
+CC(C)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1,-1.4270703792572021
+CC(C)CNC(=O)c1ccc(OCC(C)C)cc1,-1.6243393421173096
+CC1CC[NH+](C(C)(C)CC(=O)NCc2ccccc2)CC1,-1.5891423225402832
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9309634566307068
+CCC(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1,-1.3353991508483887
+c1ccc(-c2nc(CN3CCC([NH+]4CCOCC4)CC3)cs2)cc1,-1.1591349840164185
+Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(F)c1,-0.9938275814056396
+O=C1C[C@H]([NH2+]Cc2ccccc2)CN1c1ccc(Br)cc1,-1.3143017292022705
+Cc1ccc(C(=O)N2CCN(c3ccc4cc(F)ccc4n3)CC2)cc1,-0.5342651605606079
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8776416182518005
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2894887924194336
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1Cl,-1.22600257396698
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0593510866165161
+CC(C)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1O,-0.8111791014671326
+CC(C)c1ccc(NC(=O)c2cc(Cl)c(F)cc2F)cc1,-0.5132037401199341
+COc1ccc(CC(=O)Nc2cc(F)c(F)cc2F)cc1,-1.026041865348816
+Cc1ccc(C(N)=O)cc1,-1.9153964519500732
+CC1C[NH+](CC2CCN(CC3CCCCC3)CC2)CC(C)O1,-1.4959230422973633
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.26106858253479
+O=C(NCCc1ccccc1Br)N[C@@H]1CCCC[C@@H]1F,-1.1884703636169434
+CC(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F,-0.6283139586448669
+O=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.5681573152542114
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2514023780822754
+CC(C)[C@@H](NC(=O)c1ccc(O)cc1)c1ccc(F)cc1,-1.127913236618042
+CC(=O)Nc1ccc(CNC2CCCCC2)cc1,-1.6562199592590332
+Oc1ccc(-c2ccc(F)cc2OCc2ccccc2)cc1,-1.3353697061538696
+CC(C)(C)c1ccc(NC(=O)COCCO)cc1,-1.659010648727417
+CO[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c(C)n1,-0.9289772510528564
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1102756261825562
+O=C(c1ccccc1)N1CCN(CCc2ccc(O)cc2)CC1,-1.468672513961792
+Cc1ccc(CNc2ccc(N3CCC(O)CC3)cc2)cc1,-1.4135395288467407
+O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1,-1.2778089046478271
+Cn1ccc(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)n1,-1.4253193140029907
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccn(C)n3)C2)cc1,-1.285751223564148
+C[C@@H]1C[NH+](Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.2906115055084229
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3825170993804932
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.1156208515167236
+O=C(Nc1ccccc1)c1cc(-c2ccccc2)c(O)cc1O,-1.1559492349624634
+CC1(C)CN(C(=O)NCc2cc3ccccc3o2)CCO1,-1.5237072706222534
+Cc1cc(C(=O)NCc2ccc3[nH]ncc3c2)ccc1F,-0.973506510257721
+Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)no1,-1.1947673559188843
+Cc1ccc(-c2noc(COc3ccc(F)cc3)n2)c(N)c1,-0.9880027770996094
+Cc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1,-1.5077990293502808
+C[C@@H]1C[C@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)CCO1,-1.259008526802063
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9420055150985718
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8688503503799438
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3708237409591675
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.074936032295227
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9697536826133728
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.042464017868042
+CC(=O)Nc1ccccc1OCc1ccccc1,-1.6859265565872192
+Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Br)ccc2F)cc1,-1.043755054473877
+O=C([O-])CCCCCCCCNC(=O)C(=O)Oc1ccccc1,-1.6023551225662231
+CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.402495265007019
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0025869607925415
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.170959234237671
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.1704915761947632
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(O)cc3)C2)cn1,-1.3066095113754272
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9983713030815125
+O=C(c1ccc(F)cc1F)N1CCC[C@@H](Oc2ccccc2)C1,-1.054879069328308
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Cl)c1,-1.1452453136444092
+Cc1cc(N)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0476114749908447
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0258054733276367
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.8686267137527466
+O=C1C=C(C[NH+]2CC[C@H](C(=O)NC3CCCCC3)C2)CC1,-1.5656898021697998
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5412465333938599
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.4913463592529297
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1131106615066528
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F,-0.8863769769668579
+Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(Cl)c1,-1.0267624855041504
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588244676589966
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9643021821975708
+O=C(COc1ccc(Br)cc1)Nc1nc2c(s1)CCCC2,-0.9840942025184631
+O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.6604888439178467
+C[C@@H]1CN(CC2CCCCC2)CC[NH+]1Cc1ccc(F)cc1,-1.2510809898376465
+O=C(NC1CC[NH+](C2CCCCCC2)CC1)c1ccc(F)cc1,-1.2935303449630737
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0505361557006836
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)N1CCCCCC1,-1.1351099014282227
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.0546355247497559
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.226731538772583
+Cc1csc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9324660301208496
+C[C@@H]1C[NH+](C)CC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1548298597335815
+Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9929779171943665
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(I)cc2)CC1,-0.9510781764984131
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5313310623168945
+O=C(CC1CCCCC1)N1CCN(c2ccc3cc(F)ccc3n2)CC1,-0.6312198042869568
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1530959606170654
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8844808340072632
+Nc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cc1Cl,-0.9306020736694336
+Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)no1,-1.1788504123687744
+O=C(Nc1ccccc1F)N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1,-1.0574461221694946
+Clc1ccc(CNC2CCOC(c3ccc(Cl)cc3)C2)cc1,-1.248857855796814
+O=C1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3684613704681396
+Nc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1,-0.911968469619751
+C[C@@H]1OCC[NH+](CC2CCOCC2)[C@H]1Cc1ccc(Br)cc1,-1.3294904232025146
+C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3Br)cc2)CCO1,-1.039880633354187
+O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.1600133180618286
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.153592586517334
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.136535406112671
+Cc1ccc(Br)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0382194519042969
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0060372352600098
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1533042192459106
+CCCCN=C(O)CCNC(=O)c1ccc(N2CCOCC2)cc1,-1.5240154266357422
+CN1CCN(c2ccc(NC(=O)C3CCOCC3)cc2)C1=O,-1.2349005937576294
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1,-0.944355309009552
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.102286458015442
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2cc[nH]c2c1,-1.1017338037490845
+Cc1ccc(C(=O)NC(C)C(O)=Nc2ccc(C)c(C)c2)cc1,-1.0770236253738403
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)ccc1Cl,-1.0088354349136353
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238664388656616
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2cccs2)cc1,-1.1433602571487427
+O=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.7472798824310303
+O=C(NCC(F)(F)F)N1CCN(c2ccc(Cl)cc2)CC1,-0.8962555527687073
+O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.34838542342185974
+Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-],-0.6593424677848816
+O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1,-1.5681902170181274
+CC(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1,-1.3937196731567383
+Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.3256257772445679
+CC(C)(C)NC(=O)c1ccc(N2CC[C@@H](N)C2=O)cc1,-1.053346037864685
+CC(C)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1,-1.393783688545227
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.0112158060073853
+Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0863070487976074
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4241551160812378
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.102301001548767
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8149644732475281
+c1ccc(-c2nnc(CSCC3CCCC3)o2)cc1,-1.5645406246185303
+CC(C)Cc1ccc(C(=O)NCC(O)=NC(C)C)cc1,-1.4164471626281738
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0555853843688965
+O=C(N[C@H]1CC[C@@H](F)C1)c1cn[nH]c1-c1ccc(F)cc1,-0.8861404657363892
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204631090164185
+O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.2165403366088867
+Cc1ccc(C2CCN(C(=O)Nc3scnc3C)CC2)o1,-1.0995008945465088
+Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0083274841308594
+O=C(N[C@H]1CCO[C@H]1C1CCCC1)c1ccc(F)c(Br)c1,-0.9485067129135132
+Cc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.2387491464614868
+COc1ccc(-c2cc(N)nn2Cc2ccc(F)cc2)cc1,-0.9688957333564758
+C[C@H]1C[NH+](C2CCCCC2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-0.9613617062568665
+CC1(C)CCN(C(=O)Nc2scnc2-c2ccccc2)C1,-1.1859222650527954
+O=S1(=O)CC[NH+](CC2(Oc3ccccc3)CCCC2)C1,-1.6638684272766113
+Cc1ccc(CNC2CCC(c3ccccc3)CC2)cc1Cl,-1.0700271129608154
+O=C(Cc1ccccc1)NC1CCN(CC(F)(F)F)CC1,-1.5249967575073242
+O=C(NC[C@H]1CCCCO1)C(=O)Nc1ccccc1,-1.6746699810028076
+Cc1ccc(-n2nccc2NC(=O)C2CCCC2C#N)cc1,-0.9880864024162292
+O=C(NCc1ccncc1)Nc1ccc(F)cc1,-1.6374114751815796
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565159320831299
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C2CCOCC2)cc1,-0.8850781321525574
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(CC(C)(C)C)cc2)C1,-1.4087231159210205
+CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,-1.2068580389022827
+Cc1nc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)cs1,-0.9854646921157837
+C[NH+]1CCN(C(=O)N2CCCC[C@H]2Cc2ccccc2F)CC1,-1.049849271774292
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CCCCC2)C1,-1.100101113319397
+Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1,-1.1236103773117065
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.397756576538086
+O=C(NCc1cccc(O)c1)c1cc2ccc(F)cc2s1,-1.0114574432373047
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600602865219116
+c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.248307466506958
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCCCC2)cc1,-0.9925715327262878
+O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3004307746887207
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3021187782287598
+O=C(Cc1ccc(Cl)cc1)N1CCC(=NCCc2ccccc2)CC1,-1.2357006072998047
+Cc1cc(C(=O)Nc2cc(-c3cccc(Br)c3)[nH]n2)no1,-0.964469313621521
+CC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3550639152526855
+O=C(NCc1ccc(I)cc1)NC1CCOCC1,-1.5194878578186035
+CCCC(=O)N[C@H]1CCC[NH+](C[C@@H]2COc3ccccc3C2)C1,-1.4954949617385864
+Cc1ccc(CNCC2CCCCC2)c(S(N)(=O)=O)c1,-1.5546574592590332
+CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)[nH]c2c1C,-0.538402795791626
+O=C1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.3494253158569336
+C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2213881015777588
+Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.2520434856414795
+O=C(NC1CCCN(c2ccccc2)CC1)c1ccc(Cl)cc1,-1.2000237703323364
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.3630205392837524
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.186668872833252
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.208722710609436
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0237399339675903
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1,-0.912166953086853
+O=C(Nc1ccn(-c2ccc(F)cc2)n1)c1ccc(Br)o1,-1.0314445495605469
+O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2cccs2)C1,-1.0736027956008911
+O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC12CCCCC2,-1.30189049243927
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3nnc(C)s3)C2)s1,-0.7205939888954163
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)n[nH]1,-0.9972648024559021
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-1.0271267890930176
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.3611189126968384
+Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2327183485031128
+Clc1ccc(CC2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.0716191530227661
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2o1,-0.9758702516555786
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4066219329833984
+Cc1nc(CC2CC23CC[NH+](CC2CCCC2)C3)cs1,-1.185043454170227
+Cc1ccc(CC(O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3836133480072021
+Cc1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)c(Cl)c1,-0.8401621580123901
+Nc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9296010136604309
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2686461210250854
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc([O-])cc1,-1.5938403606414795
+CC(C)COc1ccc(CNC(C)(C)C)cc1,-1.6778802871704102
+CC1(NC(=O)c2ccccc2Br)CCN(C2CCCCC2)CC1,-1.0210566520690918
+Cc1cccc(N2CCCC2=O)c1,-1.8245986700057983
+O=C(Nc1ccc(-c2ncco2)cc1)c1ccc2ncsc2c1,-0.991683840751648
+Cn1cc(CC(=O)N[C@H]2CC[C@H](c3ccccc3)C2)cn1,-1.445503830909729
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1,-1.141639232635498
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.188867211341858
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.282425045967102
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cn2)cc1,-1.2616591453552246
+Cc1csc(C(=O)N2CCN(C(=O)C3CCOCC3)CC2)c1,-1.1086903810501099
+CC(C)Oc1ccc(NC(=O)CCS(C)(=O)=O)cc1,-1.6265734434127808
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.116609811782837
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.963589072227478
+O=C(C[NH+]1CCN(C2CCOCC2)CC1)Nc1ccccc1F,-1.337538719177246
+Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.054430603981018
+Oc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.44180428981781
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9560171961784363
+COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,-1.0273269414901733
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9056215286254883
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0284173488616943
+Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8891965746879578
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.514405369758606
+O=C(NC[C@@H]1CCCOC1)N[C@H]1CCC[C@@H](S)C1,-1.60956871509552
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.8919421434402466
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3591610193252563
+Cc1nc2ccc(CNC(=O)c3cccc(N)c3)cc2s1,-0.880073606967926
+COc1ccc(C(=O)N2CCN(C)CC2)cc1,-1.6266942024230957
+[NH3+]c1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9533559083938599
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9775132536888123
+[NH3+][C@@H]1CCC[C@H](NC(=O)C2CCN(c3ccccc3F)CC2)C1,-0.9196921586990356
+Cc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1F,-1.3267391920089722
+O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@H]1C1CCOCC1,-1.256156086921692
+Cc1ccc(NC(=O)[C@H]2CCCCN2c2ccccc2)c(C)c1,-1.0871063470840454
+Cc1ccc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)ccc2c1,-0.8183251619338989
+O=C(Nc1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1,-1.027559757232666
+O=C(N[C@H]1CCN(c2ccccc2)C1O)c1ccc(Cl)cc1,-1.1055524349212646
+Cc1ccc(Cl)cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1,-0.9587608575820923
+O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1,-1.100428819656372
+CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1,-0.9050301313400269
+CC(C)NCC1CCN(Cc2ccccc2O)CC1,-1.5978748798370361
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1582989692687988
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6724367141723633
+CC1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.2160967588424683
+CC(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.2655805349349976
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1,-0.9758493304252625
+O=C(Nc1ccccn1)N1CCN(c2ccc(F)cc2F)CC1,-0.8812057375907898
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3956844806671143
+CC1(C)CCN(C(=O)NCc2ccc(F)c(F)c2)C1,-1.2520393133163452
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2709860801696777
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9792206883430481
+c1ccc(N2CCN(Cc3noc(C4CCCCC4)n3)CC2)cc1,-1.141625165939331
+C[C@H]1[C@@H](O)CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1766070127487183
+Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1709731817245483
+Cn1c(COc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1,-0.8995301127433777
+Cc1nc2ccccc2n1CC(=O)NCc1ccccc1,-1.2417229413986206
+CC(C)(C)c1ccc(CNc2ccc(N)cc2F)cc1,-1.122230052947998
+Cc1ccc(C(=O)NCc2ccc3ncsc3c2)cc1F,-0.9763985872268677
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Br,-0.9463455080986023
+Nc1cccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)c1,-1.2734391689300537
+c1ccc(-c2nnc(-c3ccc(CN4CCCCC4)cc3)o2)cc1,-1.229203462600708
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2c1,-0.7530699372291565
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5262181758880615
+CC1(C)CCC(NCc2ccccc2)CC1c1ccccc1,-1.4253016710281372
+CCOc1ccc(NC(=O)N2CCC(O)C2)cc1,-1.6498960256576538
+CO[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2S(C)(=O)=O)C1,-1.4486143589019775
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9568759202957153
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9599356055259705
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9638545513153076
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1O,-0.9295946955680847
+O=C(c1ccccc1)N1CCC(Nc2ccc(Br)cc2F)CC1,-0.8755620121955872
+O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9085102677345276
+CC(C)(C)NC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,-1.2800029516220093
+CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@H]2CC=CCC2)C1,-1.283463954925537
+O=C1OCC(Cc2ccccc2)N1Cc1ccc(F)cc1,-1.5166826248168945
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2014718055725098
+Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)nc2ccccc12,-0.667831301689148
+CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.4628928899765015
+C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.042499303817749
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8960847854614258
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0825300216674805
+CN(C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.8322787284851074
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1,-1.0672675371170044
+CC(=O)CC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.5403281450271606
+[NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3034735918045044
+c1cc(OC2CCC2)ccc1CNC1CCOCC1,-1.6568797826766968
+O=C(NCc1ccc(F)c(F)c1)c1ccc2ncoc2c1,-0.9620429873466492
+O=C(NC1CC[NH+](C2CCCC2)CC1)C1CC2(CCC2)C1,-1.4005213975906372
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8855379819869995
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.0759086608886719
+O=C(NCc1ccc(Cl)nc1)[C@@H]1CCC2(CCOCC2)C1,-1.4905481338500977
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312552452087402
+Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.670061469078064
+CC(C)C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1,-1.0387078523635864
+Cc1cc(COc2ccccc2)ccc1-c1ccc(Cl)cc1,-1.234323501586914
+Cc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1,-1.0831801891326904
+Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(N)n1,-0.682721734046936
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.059372901916504
+Cc1cc([O-])ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1825758218765259
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.1407899856567383
+Cc1ccc(C(=O)Nc2ccc(F)cc2C)c(S(N)(=O)=O)c1,-0.8756132125854492
+COc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1,-0.9842219352722168
+Fc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)cc1,-1.0767971277236938
+Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1355555057525635
+O=C(NC1CCC12CCCC2)c1ccc(N2CCOCC2)cc1,-1.3566067218780518
+O=C(CNc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1,-1.1755521297454834
+C[C@H](C(=O)NCc1ccc(Br)cc1O)c1ccc(F)cc1,-0.9469817876815796
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0133963823318481
+C[C@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccc(Br)cc2)cc1,-0.9395825266838074
+C[C@@H](C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1,-1.5161062479019165
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324559688568115
+COc1ccc(OCc2ccc(C(C)C)cc2)cc1,-1.5877753496170044
+O=C(Nc1ccccc1)N1CC(O)=N[C@H](c2ccccc2)C1,-1.4053720235824585
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2[nH]1,-0.8504528403282166
+C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.315386414527893
+Cc1ccc(CNC(=O)c2cc(Cl)nc3[nH]ccc23)cc1,-0.8713147640228271
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.1812824010849
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1169289350509644
+COc1ccc(CNC(=O)c2ncc(Br)[nH]2)cc1,-1.4097638130187988
+O=C(NCC(O)=NCCc1ccccc1)c1ccc(Cl)cc1,-1.4753696918487549
+Cc1nc2cc(NC(=O)N[C@@H]3CCC[NH+](C)C3)ccc2o1,-1.154473900794983
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943715572357178
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1,-1.1798734664916992
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5090596675872803
+OC(COc1ccc(CN2CCCCC2)cc1)=NC1CCCC1,-1.5185800790786743
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2C)cc1,-1.4474769830703735
+O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[C@@H]2CCCC[NH+]2C1,-1.2134953737258911
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9377865195274353
+C[C@H]1CCCN(C(=O)NC[C@@](C)(O)c2ccccc2)CC1,-1.562068223953247
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9981534481048584
+c1ccc([C@H]2CCC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)cc1,-1.059898853302002
+CC1CCC(NC(=O)C2CCC[C@@H]2c2cnn(C)c2)CC1,-1.033758521080017
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160470724105835
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0039116144180298
+Cc1ccc(C(=O)NC[C@H]2CC3(CCC3)O2)cc1F,-1.4796991348266602
+Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cn1,-1.173628807067871
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6440373659133911
+O=C(c1cc(F)c(O)c(F)c1)N1CCC(c2ccc(F)cc2)CC1,-0.4676693081855774
+Cc1ccc(CC(=O)NCC(=O)c2ccccc2)cc1,-1.5937021970748901
+O=C(c1ccc(F)cc1F)N1CCC[C@@H](Cc2ccccn2)C1,-0.9541360139846802
+O=C(c1ccc(F)cc1O)N1CCC(Cc2ccccc2)CC1,-1.2205644845962524
+Cc1ccc(C[NH+]2CC[C@@H](C(=O)c3ccc(O)cc3)C2)s1,-1.2218652963638306
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1I,-0.7805728316307068
+C[NH+]1CCC[C@H](CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1,-1.2519724369049072
+O=C(N[C@@H]1CCC(=O)N1c1ccccc1)c1ccccc1Cl,-1.0679188966751099
+Cc1cc(O)ccc1NC(=O)c1ccc(C)c(S(N)(=O)=O)c1,-0.9935280084609985
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023294925689697
+C[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)C1,-1.0576142072677612
+Nc1ccc(C[C@H](O)CNC(=O)c2cccc(Cl)c2)cc1,-1.3257311582565308
+Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0479519367218018
+Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)[C@H](C)C2)c1,-1.12314772605896
+CCOc1ccc(CNc2ccc(Br)cc2Cl)cc1,-1.22896409034729
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0866477489471436
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0637800693511963
+O=C(NCc1ccccc1)N1CCC[C@@H](CCCO)C1,-1.617959976196289
+O=C(Nc1cc(F)ccc1F)N1CCC([NH+]2CCCCC2)CC1,-0.8971672654151917
+O=C(Nc1ccc(O)cc1)C1CCN(c2ccccc2F)CC1,-1.0880241394042969
+Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.4264533519744873
+C[C@@H]1CC(C(=O)N2CCN(c3ccc(F)cc3)[C@H](C)C2)C[C@H](C)O1,-0.7666822671890259
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565145015716553
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2s1,-0.8802295923233032
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(Br)cc1,-1.114794135093689
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.5326344966888428
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.6281628608703613
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1456705331802368
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.8849146962165833
+Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cc1,-1.111466646194458
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.107763648033142
+O=C(Nc1ccc(Cl)cc1F)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1,-0.8493365049362183
+Cc1ccc(-c2ccc(CNc3ccc(C)nc3)cc2)cc1,-1.2587682008743286
+CN(C)c1ccccc1C(=O)NCC1CCCC1,-1.6269066333770752
+C[NH+]1CCN(C(=O)CNc2ccc(C3CCCCC3)cc2)CC1,-1.4331600666046143
+Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1O,-1.4287657737731934
+O=C(Nc1ccccc1Br)C1CCN(c2cccc(F)c2)CC1,-0.9615300893783569
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6343501806259155
+Cc1nc(C)c(CNC(=O)c2ccc3c(c2)CCCC3)o1,-1.0684175491333008
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.1491682529449463
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9391292929649353
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898285865783691
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9508638978004456
+CC(C)Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4126437902450562
+Cc1ccc(C(=O)NC[C@H](O)c2cc(F)cc(F)c2)cc1,-1.2098389863967896
+N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1,-1.304951548576355
+Clc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0122054815292358
+CC1(C)CCN1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9687233567237854
+O=C(N[C@H]1CCC(=O)N1c1ccccc1)c1ccccc1Cl,-1.0649192333221436
+C[NH+]1CCC[C@@H](NC(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1,-0.9970278739929199
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898435473442078
+Cc1ccccc1NC(=O)N1CCC[NH+](C2(C)CCCC2)CC1,-1.2690750360488892
+COc1ccc(C(=O)Nc2ccc(OC)cc2Br)cc1,-1.2610965967178345
+O=C(c1ncccc1F)N1CCC[C@H](Cc2ccc(Cl)cc2)C1,-0.9135525226593018
+CC(C)(C)C(=O)N1CCC(C(=O)NC2CCCC2)CC1,-1.2340221405029297
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1,-0.9115992784500122
+O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.0059229135513306
+O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](C2CCCCC2)CC1,-1.2109239101409912
+O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9720553755760193
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.134872555732727
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1886663436889648
+C[C@@H](C(=O)Nc1cccc(N2CCOCC2)c1)c1ccccc1,-1.437422275543213
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.081312656402588
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9841966032981873
+Cc1cccc(N2CCC(NC(=O)c3ccccc3O)CC2)c1,-1.2644762992858887
+Cc1ccc(CN2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1,-1.427383303642273
+O=C(c1ccc(Br)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.3649921417236328
+c1ccc(CN2CCNCC2)cc1,-1.8711190223693848
+O=C(Cc1cccs1)N[C@H]1CCO[C@@H]1c1ccc(F)cc1,-1.5221151113510132
+Cc1nc2cc(CC(=O)N3CCCN(c4ccccc4)CC3)ccc2o1,-0.9061765670776367
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1384122371673584
+Cc1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1,-1.5930641889572144
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0650757551193237
+O=C(c1ccc(O)c(F)c1)N1CCN(c2ccc(F)c(Cl)c2)CC1,-0.4599727690219879
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(F)cn1,-1.0306476354599
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-0.9251207709312439
+Cc1nc(N2CCCCC2)ccc1C(=O)Nc1ccc(I)cc1,-0.7425749897956848
+CC(C)(C)OC(N)=O,-2.0548319816589355
+CCc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.11593759059906
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1,-0.7868848443031311
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0342662334442139
+O=C(Nc1nc2c(s1)CCCC2)c1cn[nH]c1-c1ccccc1,-0.6837998628616333
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C(=O)N1CCOCC1,-1.1099493503570557
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999530792236328
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1441781520843506
+C[C@@H]1C[NH+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1,-0.5567018389701843
+O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.9674874544143677
+COc1ccc(NC(=O)N2CCC3(CCOCC3)C[C@H]2C)cc1,-1.409401297569275
+Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3N)CC2)cc1,-1.0290501117706299
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.555516004562378
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0926176309585571
+C[NH+]1CCC(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1,-1.3217366933822632
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0744562149047852
+CCc1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1,-0.8440472483634949
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4825137853622437
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.5010918378829956
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2814464569091797
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.9037456512451172
+CC1(C)CCN2C[C@H]1CC2=O,-1.7766294479370117
+O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9476414322853088
+Cc1cccnc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1,-1.0014914274215698
+C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Br)nc1,-0.8876802325248718
+Cc1ccc([C@@H]2CC[C@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.163973331451416
+O=C(CCc1ccccc1)N1CCN(Cc2cc[nH+]cc2)CC1,-1.5269368886947632
+Cc1ccc(C(=O)NCC(=O)c2cccc(C)c2)cc1,-1.4777103662490845
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0756388902664185
+CC(C)CN1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1,-1.4616280794143677
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]n1,-0.9602789282798767
+CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](O)C1,-1.5949211120605469
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6007555723190308
+Nc1ccc(C(=O)NCc2nc3ccc(F)cc3o2)cc1,-1.03475022315979
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8099289536476135
+CC(C)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.8751757144927979
+O=C(NC1CCCCC1)N1CCO[C@H](c2cc(F)ccc2F)C1,-1.0664197206497192
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.180407166481018
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n1,-0.8215636014938354
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1664353609085083
+C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9644492268562317
+CC1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCOCC1,-1.4393346309661865
+CCc1cccc(CCC(=O)NCc2ccccc2)c1,-1.6810829639434814
+CC(C)C(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1,-1.156545639038086
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368146896362305
+CC(C)(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.129004955291748
+Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1,-0.9125542640686035
+CC(C)N1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.0345406532287598
+Oc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.3074157238006592
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9912696480751038
+Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]3C)CC2=O)cc1,-0.9948655366897583
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C)cc1,-1.154237985610962
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0772759914398193
+O=C(Nc1ccc(O)cc1F)c1ccc(N2CCOCC2)cc1,-1.2245582342147827
+O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCN(c2ccccc2)CC1,-0.9265019297599792
+CC[NH+]1CCN(C(=O)c2cccnc2-c2ccccc2)C[C@@H]1C,-0.959405779838562
+O=C(CCC[NH+]1CCCCC1)Nc1nnc(C2CCCCC2)s1,-1.2570292949676514
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1,-1.4025558233261108
+O=C(c1ccccc1)N1CC[NH+](Cc2cc(Cl)ccc2F)CC1,-1.061684012413025
+Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3253939151763916
+O=C(CCc1ccccc1)N[C@@H]1CCCC(c2ccccc2)C1,-1.5039243698120117
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0312275886535645
+O=C(CCc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1,-1.5098071098327637
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565158128738403
+O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)C1=CCCCC1,-0.7599912285804749
+Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(F)c1,-0.9905931353569031
+CC1CCN(C(=O)C(=O)NCc2ccc(Cl)nc2)CC1,-1.19883131980896
+Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.7956854104995728
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1,-1.2423598766326904
+C[NH+]1CCC[C@H](C(=O)NCc2c[nH]c3ccc(Cl)cc23)C1,-0.9290319681167603
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2F)CC1,-0.9064353108406067
+O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1ccccc1Cl,-0.8895283937454224
+O=C(CCc1ccc(F)cc1)NCCc1ccc(O)cc1,-1.5427526235580444
+O=C(NC[C@H]1CCCCO1)Nc1ccc(I)nc1,-1.4670885801315308
+C[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[C@@H](c3ccccc3)C2)C1,-1.2849743366241455
+O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F,-1.0405923128128052
+O=C(c1ccc2occc2c1)N1CC[NH+](CC2CCCC2)CC1,-1.1777675151824951
+COC(=O)c1ccc(C(=O)OC2CCCCC2)cc1,-1.6107816696166992
+CC(=O)Nc1ccc(C[NH+]2CCOC3(CCCC3)C2)cc1,-1.5920361280441284
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2n[nH]nc2c1,-0.9087465405464172
+O=C(NC1CCOCC1)c1ccc(N2CCOCC2=O)cc1,-1.4749715328216553
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9806314706802368
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.557769775390625
+O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2)cc1,-0.9423467516899109
+CCCCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6350668668746948
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2358139753341675
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,-1.2154241800308228
+Cc1nc(-c2ccc(CNC(=O)CCC(C)C)cc2)n[nH]1,-1.177219033241272
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9435704946517944
+C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1,-1.1393359899520874
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1885806322097778
+CC1(C)CC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1,-1.2882646322250366
+Cc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)no1,-1.1530795097351074
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0441073179244995
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.1198668479919434
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(I)cc2)CC1,-0.9314247369766235
+O=C(NC1CCCCCC1)N1CCN(c2cccc(F)c2)CC1,-1.1916956901550293
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4801527261734009
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)C1CC2(CC2)C1,-1.464453101158142
+CCc1ccc(C(=O)NCc2ccc(Br)cc2)s1,-1.4855648279190063
+CC(C)Oc1ccc(NC(=O)c2ccn[nH]2)cc1,-1.6322051286697388
+Cc1ccccc1C(=O)N1CCCC[C@@H]1Cc1ccc(Cl)cc1,-0.9532533288002014
+C[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2)CC[NH+]1C,-1.1083699464797974
+O=C(CCc1ccc(F)cc1Cl)NCc1cccc(Br)c1,-1.093457579612732
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2894083261489868
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0777380466461182
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.2415931224822998
+O=C(NC1C(=O)CCCC1c1ccccc1)c1ccccc1,-1.3157793283462524
+CC(CCc1ccc(F)cc1)NC(=O)CN1CCCCC1,-1.5299279689788818
+Cc1cc(-c2ccc(OCc3ccccc3)cc2)nc(O)n1,-1.207545518875122
+C[C@@H]1CN(C(=O)NCC(C)(C)O)[C@H](c2ccccc2)CO1,-1.5392842292785645
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9953132271766663
+Nc1ccc(C2CC(NC(=O)c3ccc(Cl)cc3)C2)cc1,-1.0541547536849976
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8914365172386169
+O=C(O)c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1,-1.2255362272262573
+Cc1ccc(CSc2nc(O)cc(-c3ccccc3)n2)cc1,-1.189286231994629
+CC(C)(C)OC(=O)Nc1ccc2c(c1)CC(=O)N2,-1.6003549098968506
+CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9766290187835693
+CC1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.1366056203842163
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.0604666471481323
+Nc1ccc(N2CCC(OCc3ccc(F)cc3)CC2)cc1,-1.4251222610473633
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0301910638809204
+O=Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1,-1.4815369844436646
+NS(=O)(=O)c1ccccc1CNCc1cccc(Br)c1,-1.3785549402236938
+CCC[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,-1.5358984470367432
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0240998268127441
+c1ccc(C[NH+]2C[C@]23CC[NH+](CC2CCCCCC2)C3)cc1,-1.546874761581421
+O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1c1ccccc1,-1.3304550647735596
+COc1ccc(C(N)=O)cc1,-1.8846752643585205
+Cc1ccc(N(C)C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1336899995803833
+O=C(c1ccc(Cl)c(F)c1F)N1CCN(c2ccc(F)cc2)CC1,-0.27844300866127014
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2991414070129395
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.25151526927948
+CC1(C)CCCC(C[NH+]2CCN(Cc3ccccc3)CC2)C1,-1.5255587100982666
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9896174073219299
+Cc1ccc(CNC(=O)c2csc3ccccc23)cc1F,-0.9252820014953613
+O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8932701349258423
+CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(Cl)nc1,-1.2900683879852295
+COc1ccc(NC(C)COc2ccccc2)cc1,-1.6715806722640991
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2919485569000244
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466339826583862
+Cc1ccc(C[C@@H](O)CNC(=O)c2cccc(Cl)c2)cc1,-1.517260193824768
+CC[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+](C)C2)C1,-1.5837984085083008
+O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6253681182861328
+O=C(N[C@@H]1CC[C@@H](F)C1)[C@H]1CCN(c2cccc(Br)c2)C1,-0.9381778836250305
+Cc1ccc(C2CCN(C(=O)Nc3cnn(C)c3)CC2)o1,-1.3569180965423584
+O=C(CNC(=O)c1ccccc1)Nc1ccccc1,-1.6709898710250854
+CC(C)[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,-0.859765350818634
+O=C(NCc1ccc(I)cc1)N1CC2CCCCC2(O)C1,-1.2572519779205322
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110881686210632
+Cc1ccc(Oc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1,-1.4809647798538208
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2151061296463013
+CC(C)(O)C[NH+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2)C1,-1.377450942993164
+Cn1cc(CNC(=O)c2ccc(N)cc2)c2ccccc21,-1.0947728157043457
+Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)c(F)c1,-1.190394639968872
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.483095407485962
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9629223346710205
+Nc1ccc(C[NH+]2CCN(C(=O)N3CCCCCC3)CC2)cc1,-1.3330028057098389
+CC(C)C(Cc1ccccc1)NC(=O)CN1CCOCC1,-1.5728156566619873
+Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.1435856819152832
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.3720136880874634
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9492505192756653
+Cc1cc(Cl)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.0296317338943481
+Cc1cccc2oc(C(=O)NCc3ccc(Br)cc3)cc12,-1.0311055183410645
+Cc1ccc(O[C@H]2CCCN(C(=O)c3ccccc3C)C2)cc1,-1.2124971151351929
+CC1(C)CCC[C@H]1CN1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.144895076751709
+Cc1cccc(CNC(=O)c2cc3cc(C)ccc3o2)c1,-1.2549158334732056
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.2464567422866821
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0654510259628296
+C[C@H]1CC(=O)N(c2ccc(C(=O)Nc3ccccc3)cc2)C1,-1.2682006359100342
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9644767642021179
+c1ccc(-c2ccc(CN3CCC[C@H]3c3ccccc3)cc2)cc1,-1.3491722345352173
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.9047860503196716
+O=C(CCS(=O)(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1745370626449585
+Clc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.2058511972427368
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.1059268712997437
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0589059591293335
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.297458529472351
+O=C(Nc1ccc(Cl)cc1Br)c1cccc(-c2ccccc2)c1,-0.8795273900032043
+[NH3+][C@@H]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1,-1.3644146919250488
+O=C(Nc1ccc(OCCCO)cc1)C1CCOCC1,-1.6366209983825684
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-1.0267683267593384
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934279918670654
+O=C(Cc1ccccc1Cl)NC1CC[NH+](C2CCCCC2)CC1,-1.1183241605758667
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1499838829040527
+O=C(NCc1ccc(Br)c(F)c1)N1CCc2ccccc21,-0.8508366346359253
+O=C(Cc1ccc(Br)cc1)N[C@@H]1CCC[C@@H]1C1CCCC1,-1.1659398078918457
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(I)cc1,-1.2004756927490234
+CC(C)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1,-1.3625942468643188
+Cc1ccc(C(=O)NCc2cc(Br)cc3ccccc23)o1,-1.1089922189712524
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1,-1.1269549131393433
+COCCNC(=O)N1CCC[C@H](c2ccccc2Br)C1,-1.4504210948944092
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.253178358078003
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1747729778289795
+O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC12CCOCC2,-1.478531002998352
+O=C1COc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2CN1,-0.8760229349136353
+O=C1CNCCN(Cc2ccccc2)C[C@H]1Cc1ccccc1,-1.47879958152771
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)ns1,-0.8689417243003845
+CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(Cl)cc1,-1.2000579833984375
+C[C@@H]1CN(C(=O)NCc2ccccc2)CCC12CCCC2,-1.5238202810287476
+O=C(Cc1ccccc1)NCc1cc2ccc(Br)cc2[nH]1,-1.259562611579895
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0889328718185425
+C[C@H](NC(=O)N1CCC12CCCCC2)c1ccc(F)cc1,-1.219204306602478
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0977147817611694
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689161777496338
+Cc1ccccc1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1,-1.0998890399932861
+C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)S1,-0.9750372171401978
+C[C@@H]1CCC[NH+](CCNC(=O)NC2CCCC2)C1,-1.6347706317901611
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)s1,-1.024495244026184
+O=C1NCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0569591522216797
+CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1,-1.1540042161941528
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1867194175720215
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1F,-0.942556619644165
+Fc1ccc(C[NH+]2CCN(Cc3ccc(F)nc3)CC2)cc1,-1.2855277061462402
+CCC[NH+]1CCN(CCNC(=O)c2ccccc2)CC1,-1.615782380104065
+Nc1ccc(NCc2cccc(F)c2)c(N2CCOCC2)c1,-1.1962813138961792
+O=C(NCC1(c2ccccc2)CCCCC1)C1=COCCC1,-1.6163387298583984
+Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1F,-1.213383674621582
+CN(C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,-1.1361536979675293
+C[C@@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1cccc(Br)c1,-1.2209014892578125
+Cc1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1Cl,-1.1515785455703735
+CC(C)(C)CC(=O)NCC1CCN(C2CCOCC2)CC1,-1.5292881727218628
+Cc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1,-1.156121850013733
+COC(=O)c1ccc(C(=O)Oc2ccccc2)cc1,-1.625178575515747
+Cc1ccc(NC(=O)c2ccccc2C2CCCCC2)c(C)c1,-1.1418620347976685
+O=C(Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2o1,-1.036391258239746
+c1ccc(N2CCC(CNCc3cccs3)C2)cc1,-1.6061372756958008
+Cc1oc2ccccc2c1C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.2415244579315186
+C[NH+]1C[C@@H]2CCC[NH+]2C[C@@H]1C(=O)NCc1ccc(Br)cc1,-0.9712697267532349
+Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)[C@@H](C)C2)c2ncccc12,-0.4597555696964264
+CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.1406434774398804
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2679147720336914
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9672394394874573
+C[NH+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Br)cc2)C1,-0.9100576043128967
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CC[C@H](O)CC1,-1.1757307052612305
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5146963596343994
+C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1c1ccccc1,-1.3685030937194824
+C[C@H]1CN(c2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1,-1.0932050943374634
+Cc1ccc(CNC(=O)C(=O)N2CCC(C)CC2)cc1,-1.435858130455017
+CCc1nc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cs1,-1.2440261840820312
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,-0.8928945064544678
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4545667767524719
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1358879804611206
+Cc1cc(-c2ccccc2)nc(SCc2ccc(O)cc2)n1,-1.0272520780563354
+Nc1cc(CNC(=O)c2ccc3[nH]ccc3c2)ccc1F,-0.995983898639679
+C[C@@H]1C[NH+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1,-1.5151273012161255
+O=C(NCc1ccccc1)C(=O)N1CCC[C@@H]2CCCC[C@@H]21,-1.2391527891159058
+CCN1CC[NH+](C2CCN(C(=O)Cc3ccccc3)CC2)CC1,-1.467842698097229
+O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.0921330451965332
+O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(Br)cc1,-1.2865031957626343
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820332288742065
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1665643453598022
+O=C(Nc1ccccc1)N1CCC2(CC1)C[C@H]2c1ccccc1,-1.433575987815857
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.5221744775772095
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.1231244802474976
+C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2581307888031006
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2,-1.0594007968902588
+O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2o1,-1.1951477527618408
+Cc1cccc(NC(=O)NCC2CCCCC2)c1,-1.6630427837371826
+c1ccc(-c2ccc(Cc3nc(-c4ccccc4)no3)cc2)cc1,-1.2441574335098267
+Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c[nH+]1,-1.076830267906189
+Cc1cc(S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1F,-0.9268958568572998
+CC1CCC(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1005345582962036
+Cc1cc(NC(=O)c2ncccc2Cl)ccc1N1CCOCC1,-0.9059135317802429
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-1.0707436800003052
+Cc1cccc(C2CCN(C(=O)Nc3ccccc3O)CC2)c1,-1.2708377838134766
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2Cl)cc1,-1.0257600545883179
+Cc1cc(CNC(=O)[C@@H]2CC[NH+]3CCC[C@H]3C2)ccc1Br,-0.8739482760429382
+O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1,-1.236461877822876
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0875906944274902
+CC(C)[C@H](C)C(=O)N1CCC[C@H](NC(=O)C2CCCCC2)C1,-1.0324088335037231
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146528959274292
+O=C(Cc1ccccc1)N[C@H]1CCO[C@H](c2cccc(F)c2)C1,-1.5107923746109009
+O=C(CCc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1,-1.5090371370315552
+Nc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-0.9626367092132568
+CCCCCCCCCCCCOC(=O)c1ccc(-c2ccccc2)cc1,-1.4549037218093872
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6736304759979248
+Cc1cc(F)ccc1Cc1noc(Cc2ccc(Br)cc2)n1,-0.7783651351928711
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1593172550201416
+Fc1cccc(NC2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.131482481956482
+O=C(NC1CCOCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.9435918927192688
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8341444730758667
+CC1(C)CN(c2ccc(CNc3ccccc3)cn2)CCO1,-1.5254628658294678
+O=C(c1ccc(F)cn1)N1CC[NH+](CC2CCCCCC2)CC1,-1.0444467067718506
+Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.9604061245918274
+Cc1cc(F)cc(CNC(=O)N2CCc3ccccc32)c1,-1.0558440685272217
+O=C(NCc1ccc(F)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.9029273986816406
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692930221557617
+COc1cc(Br)ccc1CNC(C)c1ccccc1,-1.3564962148666382
+O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9264882206916809
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579864025115967
+CCC[C@@H]1CN(C(=O)NCc2ccccc2O)CCO1,-1.6205644607543945
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5570164918899536
+Oc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.4429882764816284
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3793424367904663
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9351134896278381
+C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.311062216758728
+O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2s1,-1.1683893203735352
+C[C@@H]1CN(C(=O)COc2ccccc2)CC[C@H]1c1ccccc1,-1.3923860788345337
+c1ccc(CNC2(C3CC3)CCN(c3ccccc3)C2)cc1,-1.5601290464401245
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CC12CCOCC2,-1.5092246532440186
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4584695100784302
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.8339126110076904
+Cc1ccc2nc(CNC(=O)CC3CCCCC3)oc2c1,-1.319526195526123
+O=C(C(O)=NCc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.0174503326416016
+O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(Br)cc1,-1.4968593120574951
+Nc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-1.0904806852340698
+Fc1ccc(F)c(Cc2noc(Cc3ccc(Cl)cc3)n2)c1,-0.7899824380874634
+O=C(NC[C@@H]1CCc2ccccc2C1)c1ccccc1,-1.5176550149917603
+Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(I)cc1,-0.8687434792518616
+C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2F)C[C@H](C)O1,-0.9885521531105042
+CC1(C)CCN(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C1,-1.5161088705062866
+O=C(Nc1ccc(Br)cc1I)c1ccc(N2CCCCC2)cc1,-0.6759718060493469
+Cc1ccc(CCCC(=O)NCc2ccc(Br)cc2)cc1,-1.4601362943649292
+C[NH+]1CCN(c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2)CC1,-1.1073898077011108
+Cc1nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2[nH]1,-1.1084108352661133
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3647189140319824
+Cc1cc(-c2ccccc2)nc(OCc2ccc(O)cc2)n1,-1.1940903663635254
+Cc1ccc(C(Nc2ccc(Br)cc2)c2ccccc2)cc1,-1.2291561365127563
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)nn1,-0.6917659044265747
+Cc1ccccc1N(C)C(=O)c1ccn(-c2ccc(F)cc2)n1,-0.8470103740692139
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ncncc1Cl,-0.8148163557052612
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3786383867263794
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(N)cc2)CC1,-1.1098138093948364
+O=CN1CCN(c2ccc(Cl)cc2)CC1,-1.6496105194091797
+CC1(O)CCN(C(=O)Nc2ccc(-c3cccs3)cc2)C1,-1.5008275508880615
+Cc1ccc(CN2CCN(Cc3ccccc3)C(C)C2)cc1,-1.4399309158325195
+O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F,-0.8633744120597839
+O=C(NCc1cccc(Br)c1)[C@H]1CCC2(CCCCC2)O1,-1.5066369771957397
+Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.054874300956726
+O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1,-1.5499619245529175
+Cc1ccc(C)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1,-1.04141104221344
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0928009748458862
+Cc1ncccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2,-1.0578418970108032
+O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccc(F)cc1,-1.021337866783142
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1I,-0.907612681388855
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)on1,-1.0834171772003174
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1,-0.8778215646743774
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5251703262329102
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2208102941513062
+COCc1nc(C(=O)Nc2ccc(I)cc2)cs1,-1.2596396207809448
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.3197457790374756
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)n[nH]1,-0.9961444139480591
+O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-1.033456802368164
+Cc1ccc(-c2ccc(OCc3ccc(I)cc3)cc2)cc1,-1.3665368556976318
+CS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2)cc1,-1.5441910028457642
+Nc1ccc(NCCNC(=O)c2cccs2)cc1,-1.610121726989746
+Cc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.44086945056915283
+O=C(Nc1ccc2[nH]ncc2c1)N1CCC[C@@H]1c1ccccc1,-1.0540058612823486
+CCCCC(=O)N1CC[NH+](Cc2nc(C3CCCC3)no2)CC1,-1.1657973527908325
+O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4710546731948853
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8672013282775879
+O=C(Nc1ccc(Cl)cc1)C1CCC[NH+](C2CCCCC2)CC1,-1.1351771354675293
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0109888315200806
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.110607624053955
+CC(C)[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1,-0.8491669297218323
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9769294261932373
+Cc1ccc(C(=O)NC2CCN(CC(=O)O)CC2)cc1,-1.5408908128738403
+CC(C)[C@@H]1OCCC[C@@H]1NC(=O)N1CCC2(CCCC2)C1,-1.4364898204803467
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1932320594787598
+Cn1cc(C(=O)N2CC[C@](O)(Cc3ccccc3)C2)cn1,-1.5317462682724
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.292609453201294
+Cc1cccc(N2CC[C@H](NC(=O)c3ccc(Cl)s3)C2)c1,-0.9545586109161377
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324557304382324
+CC[C@H]1CN(C(=O)NCc2cc(C)on2)CCO1,-1.620237112045288
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5507742166519165
+Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.2117533683776855
+C[C@H](OCc1ccccc1)C(=O)N1CCN(C)C(=O)C1,-1.5428956747055054
+O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(F)(F)CC1,-0.9254595637321472
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.1068733930587769
+Fc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1Br,-1.2849950790405273
+C[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)CO1,-1.2920382022857666
+Clc1ccc(Nc2nc(I)ccc2Cc2ccccc2)cc1,-0.8985756039619446
+CC1(C)CC(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.5199705362319946
+COc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.621376395225525
+[NH3+]c1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0245089530944824
+Fc1ccc(C[NH+]2CCC[C@@H](Cc3ccccc3)C2)cc1F,-1.1914124488830566
+[NH+]c1ccccc1NC(=O)c1ccc(F)cc1,-1.6138904094696045
+O=C(NCc1ccccc1)c1ccc(CCCF)cc1,-1.5981322526931763
+CCCN1CCN(C(=O)c2csc(-c3ccc(C)cc3)n2)CC1,-0.9088682532310486
+COc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)cc1,-1.3297280073165894
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1582458019256592
+Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1N,-0.6011879444122314
+Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)c1,-1.5482481718063354
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)cc1,-1.274397373199463
+c1ccc(Cn2ccnc2-c2ccc(-c3ccccc3)cc2)cc1,-1.2756073474884033
+CC(O)=Nc1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,-1.1798131465911865
+CC(C)Cc1ccc(CNCc2ccccc2)cc1,-1.641263484954834
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1671605110168457
+O=C(c1ccccc1O)N1CCC(Cc2cccc(F)c2)CC1,-1.1005793809890747
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(Br)c2)cn1,-1.3775765895843506
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0841403007507324
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3661236763000488
+O=C(Nc1ccnn1-c1ccccc1)C1CC1C1CCOCC1,-1.1798083782196045
+Cc1nc(N)c(NCc2ccccc2)c(-c2ccccc2)n1,-0.949893057346344
+Cc1nc(-c2ccc(Br)cc2)ncc1C(=O)Nc1ccccc1,-0.7476221919059753
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0129115581512451
+CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-0.8056173324584961
+O=C(c1ccc(Br)nc1)N1CCC(C(O)c2ccccc2)CC1,-1.028066873550415
+Cc1ccc(C(=O)N(C)C2CCN(c3ccccc3)CC2)cc1,-1.1329535245895386
+O=C(Cc1cccc(F)c1)Nc1ccc(C(=O)O)cc1,-1.5196179151535034
+O=C(NC[C@@H](O)c1cc(F)ccc1F)c1cc2ccccc2[nH]1,-0.8636096715927124
+Nc1cc(C(=O)N[C@H]2CCO[C@@H]2C2CCCC2)ccc1F,-1.0495643615722656
+Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.2261242866516113
+CC[NH+]1CCN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1,-1.109989881515503
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1851850748062134
+C[C@@H]1CCCC[C@@H]1NC(N)=O,-1.830330491065979
+Cc1ccc(NC(=O)CC(=O)c2ccc(O)cc2)cc1,-1.5543967485427856
+O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8851555585861206
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(Cl)cc2)CC1,-0.773871660232544
+Fc1cccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)c1,-1.0720442533493042
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9841955900192261
+O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2657926082611084
+O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1Cl,-1.4106611013412476
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)C1,-1.0480363368988037
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0083390474319458
+O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(F)cc1,-1.2771072387695312
+Cc1ccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)nc1,-1.1364892721176147
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1358344554901123
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.96527099609375
+Cc1ccccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1,-1.1442288160324097
+CC1(C)CCC[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1,-1.6114323139190674
+CC1Cc2cc(C(=O)N3CCN(C(=O)C(C)C)CC3)ccc2O1,-0.811368465423584
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.3010019063949585
+CC(C)COc1ccc(CNC2CCCCC2)cc1,-1.6388359069824219
+C[NH+]1CCC[C@@H](NC(=O)c2ccccc2O)[C@H]1c1ccccc1,-1.0998444557189941
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)N[C@H]1CCCC[C@H]1c1cccc(F)c1,-0.981643795967102
+CN1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.5150108337402344
+CC(C)C[NH+]1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,-0.9779188632965088
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0403774976730347
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9831882119178772
+Cc1ncc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)[nH]1,-1.0716392993927002
+CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)[NH3+])CC2)cc1,-1.1459872722625732
+Cc1nnc(N(C)Cc2ccc(F)cc2)n1-c1ccccc1,-0.9356722831726074
+Cc1cnc(C[NH2+]CC(=O)NC2CCCCC2)s1,-1.564790964126587
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9471923112869263
+O=C(C1CCN(c2ccc(F)cc2F)CC1)N1CCC2(CC1)OCCO2,-0.8113813996315002
+Cc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.3048503398895264
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.087580919265747
+C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@@H]1c1cccc(F)c1,-1.0266040563583374
+C[C@@H](C(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8523995876312256
+O=C(c1ccc(F)cc1Cl)N1CCCC[C@@H]1Cc1ccccc1,-0.900975227355957
+CC[C@H](O)CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.3777284622192383
+O=C(c1cccc(F)c1)N1CCC(C(O)=NCc2ccccc2)CC1,-1.2090234756469727
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1666290760040283
+CN1CC[C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1=O,-1.1223052740097046
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0570467710494995
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-0.91127610206604
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.4671258926391602
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.1599208116531372
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0606156587600708
+Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1C,-1.1639835834503174
+COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9286824464797974
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.861238420009613
+Cc1cc(F)ccc1Nc1ccc(C(=O)N2CCOCC2)cc1,-1.1140269041061401
+CN(Cc1ccc(I)cc1)C(=O)c1ccc2c(c1)CCO2,-1.0278258323669434
+Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n[nH]1,-0.9337153434753418
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1,-1.2516694068908691
+Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cs1,-0.9468685984611511
+CCc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.248978853225708
+COc1ccc(CCC(=O)Nc2ccc(N)c(Cl)c2)cc1,-1.3864226341247559
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5151172876358032
+Cc1ccc(OCC(=O)N2CCC(C(=O)O)CC2)cc1,-1.5432453155517578
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)nn3)cc2)CC1,-0.9334818720817566
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1772429943084717
+COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6145130395889282
+O=C(Nc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1,-0.9189884066581726
+Cc1ccc(Cl)c(C(=O)Nc2ccc(C3CCCCC3)cc2)c1,-0.9476161003112793
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cn1,-1.0498301982879639
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2798476219177246
+NC(=O)c1ccc(Br)cc1,-1.7662887573242188
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3333369493484497
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399831533432007
+Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.20294988155365
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439525604248047
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.023502230644226
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5178496837615967
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895890712738037
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc([NH3+])cc2)cc1,-1.5262541770935059
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.5636959075927734
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cn1,-0.989272952079773
+CC1(NC(=O)c2ccc(Cl)cc2)CCN(c2ccccc2)CC1,-1.1546117067337036
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2332546710968018
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(Cl)cc2)CC1,-0.981499433517456
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0008879899978638
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9995566010475159
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.1406503915786743
+O=C(Nc1ccccc1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1759344339370728
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.0981297492980957
+Fc1ccc(OC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3997347354888916
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2sccc2c1,-0.8615171909332275
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0835741758346558
+C[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2)CC[NH+]1C,-1.133917212486267
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.8370909690856934
+C[C@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)CC[C@H]1O,-1.549991488456726
+COc1cc(N)ccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0774298906326294
+NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1,-1.1641960144042969
+O=C(NC1CC[NH+]([C@@H]2CC23CCOCC3)CC1)c1ccccc1,-1.4597886800765991
+Fc1ccc(NC2CCN(Cc3cccc(I)c3)CC2)cc1,-1.2255966663360596
+C[C@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)CC[NH+]1C,-1.4842395782470703
+COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9252392649650574
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.13295316696167
+Nc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(F)c1,-1.0539557933807373
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885411620140076
+C[C@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6933454275131226
+Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0512628555297852
+Cc1ccc(N)c(NC(=O)c2cccc(-c3ccccc3)n2)c1,-0.9937500357627869
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.429933786392212
+Fc1ccc(CNc2ncc(-c3ccc(Cl)cc3)cn2)cc1,-0.929050624370575
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202237606048584
+CC1CCN(C(=O)CNC(=O)c2ccc(N)cc2)CC1,-1.4459593296051025
+CCc1ccc(NC(=O)N2CCOC3(CCCOCC3)C2)cc1,-1.5391662120819092
+CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2578532695770264
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0558905601501465
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8824920058250427
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Br)cc2)C1,-1.088937520980835
+Cn1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1,-1.0970996618270874
+Cc1ccc(N2CCC(NC(=O)C[NH+]3CCOCC3)CC2)cc1,-1.4453551769256592
+Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)nc2)c1,-1.0551331043243408
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2833006381988525
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3590712547302246
+CC(C)COC(=O)Cc1ccc(N2CC[NH+](C)CC2)cc1,-1.515259861946106
+Cc1cc(CNC(=O)c2cc3ccccn3n2)ccc1Cl,-0.9226613640785217
+C[NH+]1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.3182744979858398
+CN(Cc1ccccc1)C(=O)CN=C(O)Cc1ccccc1,-1.558692455291748
+[NH3+]c1ccc(C(=O)NCc2nc3ccccc3s2)cc1F,-0.8875668048858643
+O=C(Nc1ccc(O)cc1)N1CC[NH+](C2CCCCCC2)CC1,-1.3514484167099
+O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1,-0.928412675857544
+Cc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.1016329526901245
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.334655523300171
+N=C(O)CN1CCC(NC(=O)c2ccc(I)cc2)CC1,-1.4100407361984253
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8953061699867249
+Fc1ccc(F)c(N2CCC([NH2+]CC3CCOCC3)CC2)c1,-1.101387619972229
+Cc1ccc(CC(=O)NC[C@@H](O)CC2CCCCC2)cc1,-1.5735266208648682
+CC(C)(C)C(=O)NCCc1nnnn1-c1ccc(Cl)cc1,-0.8144561648368835
+C[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.136151909828186
+C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC(C)(C)C1,-1.3988455533981323
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9028929471969604
+NC(=O)C(=O)Nc1ccc(-c2ccc(F)cn2)cc1,-1.2819719314575195
+C[NH+]1CCN(c2ccc(NC(=O)N3CCCCCC3)cc2)CC1,-1.4854991436004639
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.135336995124817
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9746284484863281
+C[C@@H]1C[NH+](C)CCN1c1ccccc1,-1.7278283834457397
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0802568197250366
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.4241777658462524
+Fc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Br,-1.2254987955093384
+O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1,-1.447309970855713
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3034263849258423
+Cc1cc(F)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1,-1.044893741607666
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124767065048218
+O=C(CCC(=O)N1CCN=C(O)C1)OCc1ccccc1,-1.5687156915664673
+Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1,-1.1265813112258911
+C[NH+]1CC[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2N)C1,-1.1504418849945068
+O=C(Nc1ccc(F)cn1)N[C@H]1CCC2(CCCCC2)C1,-1.5227371454238892
+CCC(C(=O)Nc1ccc(-n2cnnn2)cc1)c1ccccc1,-1.1452281475067139
+Cc1ccc(CCCNC(=O)c2ccc(F)cc2F)cc1,-1.2548826932907104
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(Br)c1,-1.1248502731323242
+Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C)C2)cc1,-1.554751992225647
+C[NH+]1CCC(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1,-1.4095591306686401
+O=C(Nc1ccc(Cl)cc1Cl)C1CCOCC1,-1.3136730194091797
+C[C@H]1CN(c2ccc(Cl)cc2)CCN1C(=O)NC1CCOCC1,-0.9676195383071899
+C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.5053108930587769
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781588554382324
+O=C(CCc1ccc(Br)cc1)N[C@H]1CCC[C@@H]1C(=O)[O-],-1.2877790927886963
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.899474561214447
+CN(C(=O)C(=O)Nc1cnn(C)c1)c1ccc(F)cc1,-1.305968999862671
+C[C@@H]1C[NH+](CCC(=O)NCCc2ccc(Br)cc2)CCO1,-1.4748804569244385
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9617431163787842
+CC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1,-1.160305142402649
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.0025476217269897
+C[C@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.0381531715393066
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172437787055969
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)cs2)CC1,-0.9725463390350342
+COc1ccc(CNC(=O)c2ccc(Cl)o2)cc1,-1.627159833908081
+Cc1cc(C(=O)NC2CCN(c3ccccc3Cl)CC2)c(C)s1,-0.6016292572021484
+Nc1ccccc1C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1,-0.88447505235672
+C[C@@H](Oc1ccc(Cl)cc1)c1noc(-c2ccc(F)cc2)n1,-0.9740985035896301
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898952841758728
+Nc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccccc2)C1,-0.972136378288269
+COc1ccc(N2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-1.104521632194519
+Cc1cc(O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-1.1101107597351074
+O=C(Nc1ccc(Br)cc1)c1ccc(CC(F)(F)F)cc1,-1.0712394714355469
+O=C(c1cc(O)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.1445735692977905
+O=C(Cc1ccccc1)N1CCN(c2ccc3ccc(F)cc3n2)CC1,-0.7545126080513
+O=C(CC1CCCCC1)NC1CCN(c2ccccc2F)CC1,-1.1818461418151855
+Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3)sc2c1,-0.7419437170028687
+CCc1cccc(NC(=O)Nc2ccn(C)n2)c1,-1.6075814962387085
+CC(C)c1ccc(NCc2ccc3cc(Br)ccc3n2)cc1,-0.8552309274673462
+O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9448668956756592
+Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3)CCO2)cc1,-1.2192744016647339
+NC(=O)C1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1,-1.184370994567871
+CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2345408201217651
+Cc1oc2ccccc2c1C(=O)Nc1ccc(-c2ccccc2)nc1,-0.8921607136726379
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)cc3c2)cc1,-1.184518575668335
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3339364528656006
+O=C1CCCN1c1ccc(F)cc1,-1.7415776252746582
+C[C@@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1ccccc1,-1.0194671154022217
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2395588159561157
+Fc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.1555196046829224
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.3410418033599854
+O=C(c1ccc(F)cc1)N1CC[C@@](c2ccc(F)cc2)(C2CC2)C1,-0.8164278864860535
+Cc1nc(C)c(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nc1C,-0.21330715715885162
+O=C1[C@@H](Nc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3287423849105835
+N#Cc1ccc(NC(=O)c2cnnn2C2CCCCC2)cc1,-1.0880502462387085
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2754852771759033
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5667331218719482
+O=C(Nc1ccc(F)c(F)c1)c1cc(C2CCCC2)on1,-0.9963803887367249
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1135810613632202
+Cc1ccc(C(=O)NC[C@](C)(O)c2cccc(Br)c2)cn1,-1.3660643100738525
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1,-1.181296706199646
+Cc1ccc(Br)cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1,-0.7001105546951294
+O=C(c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1,-1.2137547731399536
+O=C(Nc1ccccc1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0119420289993286
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0370310544967651
+O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1,-1.3485442399978638
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617191553115845
+C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1,-1.0751068592071533
+Cc1ccc(C(=O)[C@H]2CCCN(C(=O)Cc3cccs3)C2)s1,-1.0071971416473389
+C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1,-1.3469291925430298
+CCC1CCN(C(=O)c2ccccc2N2CC[NH+](C)CC2)CC1,-1.0118814706802368
+CCC(C)(C)CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1,-1.5227595567703247
+Cn1cc(NC(=O)c2ccc(O)cc2)c(-c2cccs2)n1,-1.1104665994644165
+CC[NH+]1CCN(C(=O)c2ccc(N3CCO[C@@H](C)C3)cc2)CC1,-1.2110185623168945
+COc1ccc(CCC(=O)Nc2ccc(O)c(O)c2)cc1,-1.4978214502334595
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(O)cn1,-1.0072720050811768
+c1ccc(Nc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1,-1.2492164373397827
+C[C@@H]1CN(c2ccccc2)C[C@H](C)O1,-1.779510498046875
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.944050133228302
+CC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1,-0.9076054096221924
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0222254991531372
+Cc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1,-1.4830330610275269
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2F)nn1,-0.7529333829879761
+Cc1ccc(C[NH+]2CCC(Nc3ncc(Cl)cn3)CC2)cc1,-0.9974930286407471
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.350855827331543
+O=C1CCc2cc(OCCOc3cccc(Br)c3)ccc21,-1.248691439628601
+O=C(NCc1ccc(F)c(Br)c1)c1ccc2[nH]ncc2c1,-0.8066362738609314
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.9538798332214355
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.488532304763794
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1054936647415161
+O=C(Cn1nnc2ccccc21)NCc1ccc(F)cc1,-1.099572777748108
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.943963348865509
+C[NH+]1CCC[C@@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1,-1.257814884185791
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.117509365081787
+Cc1ccc2cc(C(=O)NCc3cccc(Br)c3)sc2c1,-0.9065727591514587
+O=C(C1CCN(c2ccc(F)cc2F)CC1)N1CCC2(CCOCC2)C1,-0.7478039860725403
+O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.3887393474578857
+Cc1cc(I)ccc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1,-0.9070258140563965
+Nc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.2715729475021362
+O=C(c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.8761659860610962
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895841836929321
+CCCCc1ccc(C(=O)N2CCC3(CC2)OCCN(C)C3=O)cc1,-1.144961953163147
+C[C@@H]1C[C@]2(CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)CCO1,-1.1303812265396118
+O=C(c1ccccc1-c1ccc(F)cc1)N1CCN2C(=O)CC[C@H]2C1,-0.7272516489028931
+[NH2+]c1ccc(C[C@@]2(O)CCN(C(=O)c3ccco3)C2)cc1,-1.537745714187622
+Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c(=O)[nH]1,-0.7128425240516663
+O=C(NC1CCC(N2CCCC2=O)CC1)c1ccc(Br)cc1,-0.9670271277427673
+O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.093899130821228
+c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3042553663253784
+O=C(CCOc1ccc(Br)cc1)Nc1ccc(F)cc1F,-1.146615982055664
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9660911560058594
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1145107746124268
+Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.932658314704895
+Cc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1,-1.1734669208526611
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.101274847984314
+Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9818253517150879
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0531741380691528
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8777297139167786
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.464123249053955
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.8969613909721375
+Cn1ccc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)n1,-1.391701340675354
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.086479663848877
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1,-1.284394383430481
+O=C(c1ccncc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0490058660507202
+O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.0782711505889893
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4761221408843994
+COc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1,-1.3768256902694702
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.271775245666504
+O=C(NCCc1cccc(F)c1)c1ccc2c(c1)OCO2,-1.3273115158081055
+Fc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.4416465759277344
+CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.225117564201355
+O=C(NCc1ccc(Br)cc1)N1Cc2ccc(O)cc2C1,-1.0662658214569092
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934238791465759
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(Br)cc2)C1,-1.0129989385604858
+O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc(CC(F)(F)F)cc1,-1.2125030755996704
+O=C(N[C@H]1CC12CCCCC2)c1cccc(-c2ccccc2)c1,-1.3647037744522095
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1F,-0.5755879878997803
+O=C(NCc1ccc(F)c(F)c1)N1CCc2[nH]ccc2C1,-0.8713131546974182
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.913621723651886
+COc1ccc(NC(=O)c2cc(OC)ccc2Cl)cc1,-1.2917866706848145
+O=C(NC[C@H]1CC12CCOCC2)c1ccc2c(c1)CCO2,-1.4224965572357178
+Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0369101762771606
+Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)on1,-1.13148832321167
+O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC[C@@H](c2ccccc2)C1,-1.1327461004257202
+O=C(N[C@@H]1CCC[NH+]([C@@H]2CC23CCOCC3)C1)[C@@H]1CCCCO1,-1.4626826047897339
+CN(Cc1ccccc1)C(=O)CN=C(O)Cc1ccccc1,-1.561967372894287
+O=C(NCC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1,-1.5326405763626099
+O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1cc2ccccc2[nH]1,-1.1121162176132202
+C[NH+](C)C1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0891742706298828
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0061851739883423
+Cc1cc(Br)ccc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.9096559286117554
+Fc1ccc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1F,-1.0784223079681396
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)nc1,-1.0911043882369995
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9281569719314575
+O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9600867033004761
+Nc1c(Cl)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9515174627304077
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-1.1545789241790771
+O=C(CNC(=O)c1ccc(Cl)cc1)c1cccc(F)c1,-1.1699796915054321
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.1319307088851929
+Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.10655677318573
+Cc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1F,-1.3522820472717285
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.8670104146003723
+Cc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.4914504289627075
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0000213384628296
+CC1CCCC(CN2CCN(Cc3ccc(O)cc3)CC2)C1,-1.443577766418457
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2795953750610352
+CC[NH+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9340994358062744
+O=C(NC1(c2ccc(F)cc2)COC1)c1ccc(I)cc1,-1.2001149654388428
+C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2F)C1,-1.020960807800293
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0716769695281982
+NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1349786520004272
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H](c3cnn(C)c3)C2)s1,-0.985832929611206
+C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.557357907295227
+O=C(c1cc(O)c2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5390737056732178
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.433498501777649
+CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1,-1.2926675081253052
+CCCOc1cccc(C(=O)N2CCOC3(CC[NH2+]CC3)C2)c1,-1.5178759098052979
+Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9926966428756714
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-1.0925074815750122
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.0820013284683228
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.310828447341919
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.9794428944587708
+O=C(Nc1ccc(O)cc1)N1CCCN(c2ccccc2)CC1,-1.4459835290908813
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0615816116333008
+O=C(Nc1ccc(F)cc1F)N1CCOC[C@H]1c1ccccc1,-1.0808227062225342
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Br,-1.2097870111465454
+Cc1ccc2c(C(=O)N3CCC[C@H](c4ccc(F)cc4)C3)cccc2c1,-0.6856955885887146
+Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9556806087493896
+O=C(NCc1ccc(F)cn1)c1ccc2c(c1)CCCN2,-0.9990952014923096
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2207194566726685
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1692376136779785
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2907147407531738
+O=C1Cc2cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2N1,-0.889826774597168
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0309693813323975
+CC1(C)CN(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C1=O,-1.0332504510879517
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.1418555974960327
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.019723892211914
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9614428877830505
+C1CCC(Cc2noc(C3CCC(N4CCOCC4)CC3)n2)CC1,-1.0982688665390015
+O=C(O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1,-1.1476503610610962
+O=C([C@@H]1CC=CCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.4916651248931885
+NCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6056468486785889
+O=C(NCC1CCCCC1)Nc1ccc(O)cc1,-1.6698224544525146
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0147465467453003
+Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.1493377685546875
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1,-1.2009960412979126
+CC(O)=Nc1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1Cl,-0.7772408127784729
+O=C(Nc1ccc(-c2ccccc2)cc1Cl)c1ccc(F)cc1,-1.065998911857605
+Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[S+]([O-])C1CCCCC1,-0.7334979176521301
+O=C(Nc1ccnn1-c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0757379531860352
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8340875506401062
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5052622556686401
+CC(C)(C)CCC(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1,-0.7746007442474365
+COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.6386570930480957
+O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H](c2ccccc2)C1,-1.161586046218872
+CC(CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1838091611862183
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.574987530708313
+O=C(NCc1ccc(Cl)nc1)N1CCC2(CCCCC2)C1,-1.2830710411071777
+Cc1cccc([C@@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)c1,-1.1208961009979248
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.5402709245681763
+NC(=O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.6006462574005127
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.078812599182129
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c([NH3+])c1,-1.09914231300354
+Nc1cccc(CC2CCN(C(=O)c3ccccc3F)CC2)c1,-1.0047791004180908
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0192466974258423
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0279247760772705
+[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.185159683227539
+O=C(N[C@H]1C[C@H]1C1CCOCC1)N1CCC[C@@H]1c1ccccc1,-1.2350109815597534
+Cc1ccc(F)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0397650003433228
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.089756727218628
+CN1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1805275678634644
+Cc1ccc(C(=O)N2CCCC(C(O)=NCc3ccccc3)C2)cc1,-1.1481539011001587
+Cc1ccc(O)c(C(=O)Nc2ccc(-c3ccccn3)cc2)c1,-1.0928971767425537
+O=C(Nc1ccc(F)cc1F)C1(c2ccc(F)cc2)CC1,-0.885250449180603
+C[C@H]1C[NH+](C)CCN1c1ccc(C(=O)Nc2ccccc2)cc1,-1.1669467687606812
+Clc1ccc(CNc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.060390591621399
+O=C(Cc1cccs1)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.325830101966858
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0241464376449585
+CC1CC(NC(=O)c2ccc(C(=O)O)nc2)CC(C)O1,-1.3027448654174805
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-1.0519224405288696
+[NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.0017062425613403
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1,-1.1056370735168457
+CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1,-1.619383692741394
+O=C(COCc1ccccc1)N1CC[C@H](O)C2(CCC2)C1,-1.5686331987380981
+Oc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.4362550973892212
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.3138461112976074
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-1.0751452445983887
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)N2CCCC2)CC1,-1.0035372972488403
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.047209620475769
+C[C@H](C(=O)[O-])C(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1,-0.9805161952972412
+O=C(NC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1,-1.1192160844802856
+CN1C(=O)CC[C@@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2161571979522705
+c1ccc(-c2noc(C[NH+]3CCCC[C@H]3c3ccccc3)n2)cc1,-1.18017578125
+CC(C)[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccc(Br)cc1,-1.2591639757156372
+Cc1cc(CNc2cccc(N3CCOCC3)c2)ccc1F,-1.2593196630477905
+O=C([C@H]1CCC2(CCCCCC2)C1)N1CCN(c2ccc(F)cc2)CC1,-0.9562968611717224
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)co1,-1.209354043006897
+CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.1277133226394653
+Cc1nc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.059662103652954
+O=C(N[C@H](C(=O)[O-])c1ccccc1)c1cccc(O)c1,-1.5464835166931152
+[NH3+][C@H]1CCC[C@@H](NC(=O)NCC2CCOCC2)C1,-1.644579529762268
+c1ccc(CN2CCC23CC[NH+](Cc2ccccc2)C3)cc1,-1.5615273714065552
+Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1,-0.8544242978096008
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.0578460693359375
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n1,-0.8209050893783569
+NC(=O)C(=O)N1CCCC[C@H]1Cc1ccc(Cl)nc1,-1.048994779586792
+O=C(Nc1cccc2c1CCC2)c1csc(-c2ccccc2)n1,-0.876757025718689
+Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)n[nH]1,-1.0993331670761108
+[NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9702252149581909
+C[NH+]1CC[C@H](C(=O)Nc2ccnn2-c2ccc(F)cc2)C1,-1.0778007507324219
+Cc1cc(NC(=O)c2cc(-c3cccc(F)c3)on2)no1,-1.1665048599243164
+Cc1nc2ccc(CNC(=O)N3CCC([NH3+])CC3)cc2o1,-1.0500459671020508
+C[C@@H]1CCCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.3525499105453491
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2C1,-0.7752940654754639
+O=C(NC[C@H]1CCCCO1)N1CCC[C@@H]1C1CC1,-1.6018381118774414
+O=C1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccccc2)C1,-1.426299810409546
+O=C(C[NH+]1CCCCC1)N1CCC(Oc2ccc(O)cc2)CC1,-1.4850172996520996
+O=C(Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.4240778684616089
+O=C(Nc1ccc(Br)cc1)[C@@H]1CCN(c2ccccc2)C1=O,-1.0605080127716064
+NS(=O)(=O)c1ccc(C(=O)NCC2CCCC2)cc1,-1.562758207321167
+COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1F,-0.9823969602584839
+NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.3112646341323853
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.5677701234817505
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4784404039382935
+Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c1,-0.889498770236969
+Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C)n1,-1.0882281064987183
+Cc1ccc(-c2ccccc2C(=O)Nc2ccccc2Cl)cc1,-0.9546668529510498
+O=C(Nc1cccc(I)c1)[C@H]1CCN(c2ccccc2)C1=O,-1.0285089015960693
+CC(c1ccc(Cl)cc1)c1nn(C)cc1Cc1ccccc1,-0.9530653953552246
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ncccn2)CC1,-0.8166162967681885
+O=C(Nc1ccc(O)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.024043083190918
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1286622285842896
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2118382453918457
+O=C(Nc1nc(C2CCCCC2)no1)c1cc2ccccc2o1,-1.0588873624801636
+Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3054429292678833
+O=C(NC1CCC(O)CC1)c1ccc(N2CCCC2=O)cc1,-1.2242125272750854
+O=C(CN=C(O)Cc1ccc(F)cc1)NCc1ccccc1,-1.529571294784546
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.8809778094291687
+[NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(CC(F)(F)F)c2)C1,-1.015478491783142
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc2nc[nH]c2c1,-0.9877733588218689
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1601444482803345
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.2890459299087524
+COc1ccc(NC(=O)Cn2c(=S)oc3ccccc32)cc1,-1.3242968320846558
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccccc1C,-1.078980803489685
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1349471807479858
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2021714448928833
+Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1,-0.9487283825874329
+C[NH+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4998568296432495
+O=C(NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(F)cc1,-1.107137680053711
+Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1,-1.2381043434143066
+CC[C@H](F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3421968221664429
+O=C(CCC[NH+]1CCSCC1)Nc1cccc(-c2nn[n-]n2)c1,-1.1655954122543335
+O=C(C[NH+]1CCOCC1)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.3449386358261108
+CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH+](C)C2)C1,-1.6287925243377686
+C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1,-1.1320205926895142
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.032853364944458
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764333128929138
+C[C@@H]1CCCC[NH+]1CC(=O)NC1CCN(c2ccccc2)CC1,-1.325043797492981
+CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1)[NH+]1CCCCC1,-1.1440449953079224
+Cc1ccc(O)c(CNC(=O)N2CCOC3(CCC3)C2)c1,-1.5194635391235352
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999461650848389
+CCCNS(=O)(=O)c1cc(Br)ccc1N1CCCCC1,-1.2830851078033447
+Cc1nc(SCc2nc(-c3cc4ccccc4[nH]3)no2)cs1,-0.7555209398269653
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1603730916976929
+O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2cnccc2o1,-0.9488950371742249
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(I)cc1,-1.0363056659698486
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.064892053604126
+CCc1ccc(Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1,-1.0408250093460083
+Cc1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-1.0382932424545288
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.166645884513855
+C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1,-1.5103367567062378
+O=C(c1ccccc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1731064319610596
+Cc1ccccc1N1CCN(C(=O)c2ccn(C(C)C)n2)CC1,-0.8220351338386536
+CC(=O)N1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1,-1.0538105964660645
+CN(C)CCNC(=O)C(=O)Nc1ccccc1,-1.7139285802841187
+Cn1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)n1,-0.9731355309486389
+CCCCc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1,-0.9529211521148682
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.270702838897705
+CC1(C)CCCCCN(C(=O)NCc2ccc(I)cc2)C1,-1.3498847484588623
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.3773423433303833
+O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]ncc2c1,-0.9486706256866455
+CC(C)[NH+]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.172218680381775
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0321038961410522
+Cc1ccc(N2CCC(C(=O)NC3CC(C)C3)CC2)cc1,-1.1816964149475098
+Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5007984638214111
+C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc3c(c2)CCN3)C1,-0.7967880368232727
+OC1(Cc2ccc(F)cc2)CCN(Cc2ccccc2)CC1,-1.5860605239868164
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccccc2)CC1,-1.2879446744918823
+O=C(CN1Cc2ccccc2C1=O)NCc1ccccc1Cl,-1.1275347471237183
+[NH3+]C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0447994470596313
+c1ccc(CNC2CCN(Cc3cccs3)C2)cc1,-1.6221411228179932
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.2331340312957764
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9658669829368591
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3050439357757568
+CC1CC[NH+](CC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1,-1.5279239416122437
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1O,-1.0201263427734375
+Cc1ccc(NCc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.1664867401123047
+Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4283738136291504
+C[NH+]1CCCC[C@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C1,-1.2232614755630493
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3235594034194946
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3335057497024536
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.962306559085846
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccns3)CC2)cc1,-1.022416591644287
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9510717391967773
+O=C(N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1F,-1.095216989517212
+NC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1,-1.1830472946166992
+Cc1ccc(F)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,-1.0220236778259277
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F,-0.9536762833595276
+Cc1nnc(Nc2ccc(F)cc2)n1CCc1ccccc1,-1.0720645189285278
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCOCC3)C2)c(F)c1,-1.0417730808258057
+CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2cccc3[nH]ccc23)CC1,-0.7936949729919434
+Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@H]1c1ccccc1,-1.0421613454818726
+Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1,-1.1055164337158203
+Cc1cc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)n[nH]1,-1.3352560997009277
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.1712027788162231
+c1ccc(CN2C[NH+](Cc3ccccc3)Cc3cccnc32)cc1,-1.2513569593429565
+Cc1ccc(C(=O)NCc2nn(C)c3ccccc23)cc1,-0.9889295697212219
+Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1c1ccc(Cl)cc1,-0.9020830988883972
+O=C(Nc1ccccn1)N1CCN(c2cc(F)ccc2Cl)CC1,-0.8158007860183716
+O=C(N[C@H]1CCC[C@@H](O)C1)OCc1ccccc1,-1.69622004032135
+c1ccc(Cc2ccc(C[NH+]3CCC4(CCC4)C3)cc2)cc1,-1.5551689863204956
+O=C(c1cc(F)c(F)c(F)c1)N1CCC(c2ccc(F)cc2)CC1,-0.3242378234863281
+C[NH+]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9553993344306946
+CCCCn1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)n1,-1.0320683717727661
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.6543348431587219
+C[C@@H](Cc1ccccc1)[NH+]1CCN(C(=O)C2CCOCC2)CC1,-1.44638192653656
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0277714729309082
+O=C(NCCc1ccccc1)N[C@@H]1CC[C@H](O)C1,-1.691947102546692
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.0409334897994995
+O=C([C@H]1CCCC[C@@H]1c1cccc(F)c1)N1CCC(CO)CC1,-1.063459873199463
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.9733926057815552
+Cc1ccc(NC(=O)c2csc(C3CCCC3C#N)n2)cc1,-0.868901252746582
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.25352942943573
+COc1ccc(CNC(=O)[C@@H]2CC[C@H](C)C2)cc1,-1.6138170957565308
+O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364699363708496
+CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1,-1.5882409811019897
+Cc1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1,-1.029388427734375
+O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.6606963872909546
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.0841366052627563
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067083597183228
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-1.044014573097229
+O=C(Nc1ccc(Cl)cc1)Nc1nc2cc(F)ccc2s1,-0.800198495388031
+Cn1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)n1,-1.1543184518814087
+CC(C)c1cccc(NC(=O)c2ccn(C)c(=O)c2)c1,-1.230555772781372
+C[C@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.7393444776535034
+O=C(Cc1nc2ccccc2o1)NCc1ccc(F)cc1,-1.321751356124878
+Cc1cccnc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.8385164737701416
+CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1,-0.7181277275085449
+Cc1nc(-c2ccccc2)cc(C(=O)NC2CCOCC2)c1Cl,-0.8505019545555115
+Cc1ccc(CNC(=O)C[C@@H](O)c2ccc(Br)cc2)cc1,-1.4723384380340576
+C[C@H]1CCC[NH+](C[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)F)C1,-1.1294171810150146
+C[NH+]1CCC[C@@H]([NH+]2CCCCC2)CC1,-1.7681273221969604
+Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(N)c1,-1.1298445463180542
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0008457899093628
+Cc1nnc(CNC(=O)Nc2ccccc2C)s1,-1.2098863124847412
+O=C(CNC(=O)c1ccc(F)cc1)c1cccc(Br)c1,-1.2019798755645752
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0806128978729248
+CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccn(C)n2)C1,-1.0950332880020142
+Nc1ccc(CC(=O)Nc2cccc(C(=O)O)c2)cc1,-1.5875567197799683
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1,-1.3108313083648682
+Fc1ccc(N2CCC(COc3ccc(Br)cc3)CC2)cc1,-1.2957395315170288
+O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9853259325027466
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC(F)(F)C1,-0.9027429223060608
+CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1,-1.304328203201294
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.060622215270996
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2091138362884521
+CC(C)COc1ccccc1NCc1ccccc1,-1.6526095867156982
+CO[C@H]1CCN(C(=O)c2ccc(OCCCO)cc2)C1,-1.5909384489059448
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.122931718826294
+CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)CC1,-1.1455000638961792
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125221490859985
+O=C(c1ccncc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9398161172866821
+Nc1cnccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.9924024939537048
+COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3F)CC2)c(Cl)c1,-0.6505383253097534
+Clc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.0556918382644653
+Cc1ccc(NC(=O)C2CC[NH+](C3CCOCC3)CC2)c(C)c1,-1.111646294593811
+CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2O)CCO1,-0.9693763852119446
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Br)cc2)CC1,-0.929053544998169
+CN1CCC(CNC(=O)CN2CCN3CCCC3C2)CC1,-1.4075380563735962
+CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCS1,-1.2438043355941772
+Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3776804208755493
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9273591041564941
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5172988176345825
+CN1CCN(c2cc(Cl)ccc2OCc2ccccc2)CC1,-1.2096068859100342
+O=C(Nc1ccc(Br)cc1O)N1CCN(c2ccccc2)CC1,-1.007758617401123
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cn2)CC1,-0.7916384935379028
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2052180767059326
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1494423151016235
+O=C(c1ccc(F)cc1)N1CCN(CC[NH+]2CCCCC2)CC1,-1.3555628061294556
+CC1(c2ccccc2)CCN(C(=O)c2ccc3nc(O)ccc3c2)CC1,-0.791074812412262
+Cc1cccnc1N1CCC(NC(=O)c2cccc(F)c2)CC1,-0.9354917407035828
+O=C(Nc1nc2ccccc2s1)[C@@H]1CC[C@@H](c2ccccc2)C1,-0.9198879599571228
+O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1ccc(F)cc1,-1.451783299446106
+Nc1cccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)c1,-1.545515775680542
+[NH3+][C@@H](CCc1ccccc1)C(=O)NCc1ccc(Br)cc1,-1.4544084072113037
+Fc1cc(C[NH+]2CCN(C[C@H]3CCCCO3)CC2)ccc1Cl,-1.1360714435577393
+Oc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-1.083715558052063
+O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Cc2ccccc2F)C1,-0.9204419851303101
+CCCc1ccc(C(=O)N2CCN(C3CCN(C)C3)CC2)cc1,-1.1995924711227417
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0876816511154175
+Cc1cc(Br)ccc1CNC(=O)c1cc(F)c(F)cc1F,-0.40219026803970337
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9795209765434265
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600695848464966
+CC(=O)c1ccc(NC(=O)c2ccc(F)c(O)c2)cc1,-1.3410708904266357
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9128923416137695
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758713245391846
+Cn1cc(CNC(=O)c2ccc(F)cc2)c2ccccc21,-1.071661353111267
+COc1cccc(CN(C)CC2CCN(C)CC2)c1,-1.5958389043807983
+CCOCCCSc1nnc(-c2ccc(C)cc2)o1,-1.6115891933441162
+CC1(C)CCC[C@@H]1NC(=O)NCc1ccccc1,-1.6544644832611084
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cnccc2[nH]1,-0.9621052742004395
+CC(C)(C)Oc1nc(O)cc(Cc2ccc(F)cc2)n1,-1.240568995475769
+C[C@@H]1CCC[NH+](CC(=O)NCc2ccc(Cl)c(Br)c2)[C@H]1C,-0.6771029233932495
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)CNC1CCOCC1,-1.2988301515579224
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133407354354858
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4634289741516113
+O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1O,-0.9154329299926758
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.5501636266708374
+Cc1cc(C(=O)NC[C@H]2CC3(CCC3)O2)ccc1N,-1.5063066482543945
+O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.233270287513733
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9721683263778687
+O=S(=O)(CNCc1ccccc1F)c1ccc(F)cc1,-1.4598653316497803
+O=C(Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1,-1.3537604808807373
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2714335918426514
+O=C(NCc1cccc(Br)c1)N1CCOC2(CCCC2)C1,-1.4708181619644165
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1F,-1.0591446161270142
+Nc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1556886434555054
+CN1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.3059824705123901
+CC(C)CC(NCC(=O)Nc1ccc(Cl)cc1)C(=N)O,-1.327730417251587
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0855895280838013
+CCCC(=O)N1CCN(C(=O)C2CCC(C(C)C)CC2)CC1,-0.9604648351669312
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl,-0.9006370306015015
+Cc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2[nH]1,-0.8828052878379822
+COc1ccc(C(=O)NCC(O)=NC2CCCCCC2)cc1,-1.514899730682373
+C[C@@H](O)C(C)(C)NC(=O)N1CCC[C@@H](c2ccccc2)C1,-1.3973103761672974
+Nc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9779887199401855
+CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[C@@H](C)C3)CC1,-1.1282246112823486
+c1ccc(N2CCCC2CNCC2CCCC2)cc1,-1.6666184663772583
+O=C(CC(F)(F)F)N1CCC(OCc2ccccc2)CC1,-1.494977593421936
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(Br)c[nH]1,-0.8986616730690002
+C[C@@H](C(=O)NCc1c[nH]c2ccccc12)c1ccc(Br)s1,-0.8670130372047424
+COc1ccc(CNC(=O)c2csc(Br)n2)cc1,-1.4019063711166382
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700016021728516
+O=C1CCC(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.2639793157577515
+CC1CCCCN(C(C)CNC(=O)c2ccc(Cl)cc2)C1,-1.0890581607818604
+O=C(C[NH+]1CCCC1)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.385707139968872
+O=C([O-])NC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1,-1.5455352067947388
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0806465148925781
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ncc(F)cc1Cl,-0.8591840863227844
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)OCCO2,-1.3236973285675049
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1039704084396362
+C[C@@H]1CCCC[NH+]1CCNC(=O)Nc1ccccc1Cl,-1.3544143438339233
+C[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2)C[C@H]1O,-1.3486698865890503
+CC(C)(C)C(=O)N1CCC(NCc2ccc(Cl)cc2)CC1,-1.068971037864685
+Cc1cc(Br)c(NC(=O)c2ccccc2)c(-c2ccccc2)c1,-0.9396697878837585
+Cc1cc(C(=O)NCC(=O)N2CCOCC2)ccc1Br,-1.2357053756713867
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)[C@H](C)C2)cc1,-1.1080092191696167
+C[NH+]1CCN(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C1,-1.2636077404022217
+C#CCOC(=O)c1ccc(Oc2ccccc2)cc1,-1.671960711479187
+O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-1.0750471353530884
+CC(C)(CNC(=O)c1ccc(I)cc1)c1ccc(F)cc1,-1.0475906133651733
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(Br)c1,-0.9400909543037415
+COc1cccc(NC(=O)Nc2cnn(C)c2)c1,-1.6281116008758545
+C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1803975105285645
+Cc1nc2ccc(CNC(=O)Cc3ccccc3)cc2o1,-1.4124757051467896
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.0037686824798584
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.005258560180664
+Cn1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1,-1.052431583404541
+Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-0.9887094497680664
+CCOc1cccc(NC(=O)c2cc(C)on2)c1,-1.6265326738357544
+Cc1cc(OCc2ccccc2)nc(-c2ccc(F)cc2)n1,-1.1099706888198853
+Cc1ccc(CNC(=O)[C@@H]2CCc3nc(C)nn3C2)cc1,-0.8534237742424011
+C[C@@H]1CCCC[NH+]1C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1,-0.9850284457206726
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3347647190093994
+Cc1cc(C(=O)Nc2ccc(-c3ccc(C)s3)cc2)no1,-1.2781307697296143
+C[NH+]1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1,-1.1331652402877808
+O=C(NN1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1373034715652466
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3544995784759521
+CN1CCC(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1,-0.949221670627594
+CC1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3374515771865845
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.1036450862884521
+Cc1ccc2nc(NC(=O)Nc3cccc(O)c3)sc2c1,-1.0410923957824707
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0770742893218994
+CCc1ccc(C(=O)NC[C@H]2CCC[NH+](C)C2)s1,-1.4625191688537598
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589148759841919
+Cc1nc(CNC(=O)N2CCOC3(CCCCC3)C2)cs1,-1.4305005073547363
+Fc1ccc(N2CCCCC2)c(F)c1,-1.5748014450073242
+Cc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)c(C)c1,-1.199079155921936
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0841182470321655
+Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(Cl)c1F,-0.6264311671257019
+Cc1cc(Br)ccc1C(=O)NC1(c2ccc(F)cc2)CC1,-0.9845204949378967
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0460569858551025
+O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5195099115371704
+O=C(c1cccc(F)c1Cl)N1CCN(Cc2ccccc2)CC1,-0.9901304841041565
+CC1CCN(C(=O)C(=O)NCc2ccc(I)cc2)CC1,-1.1680959463119507
+O=C(NC[C@H]1CCCCS1)N[C@@H]1CCC[C@H](F)C1,-1.580625057220459
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3498746156692505
+O=C(NC1CCCC1)N1CC[C@@](O)(c2ccc(Cl)cc2)C1,-1.3303618431091309
+CCN1CCN(C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1,-0.8730725049972534
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0305984020233154
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.0690075159072876
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3730369806289673
+O=C(NCc1cccc(Cl)c1)[C@@H]1CCCC2(CCCC2)O1,-1.5111634731292725
+COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.024362564086914
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-1.0511730909347534
+[NH3+][C@H]1C[C@H](NC(=O)N2CCC(c3ccc(Br)cc3)CC2)C1,-0.9905033707618713
+COc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1F,-1.4405694007873535
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.3218415975570679
+COc1ccc(C(=O)NC2CCCN(CCO)C2)cc1,-1.5655357837677002
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3752034902572632
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9542075395584106
+Fc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)cc1,-1.1066645383834839
+C[C@H]1CN(c2ccc(NCc3ccc(Cl)cc3)cc2)CCO1,-1.473887324333191
+Cc1cc(C)n(-c2ccccc2C(=O)NCC(F)(F)F)n1,-0.783115565776825
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1F)c1cccc(F)c1,-0.9020439386367798
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1237503290176392
+O=C(NCCN=C(O)Cc1ccc(Cl)cc1)c1ccccc1,-1.4589778184890747
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4434549808502197
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6734791994094849
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.382873296737671
+O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.363284945487976
+Cc1cccc(C2(NC(=O)c3ccc(F)cc3)CCC2)c1,-1.4593628644943237
+C[C@@H]1CN(C(=O)NCc2ccccc2)CCC12CCCC2,-1.5209637880325317
+CC1([NH3+])CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1,-1.4339544773101807
+O=C(O)c1ccc(OCCOC2CCCC2)cc1,-1.7275426387786865
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(F)cc1,-1.0973389148712158
+O=C(Nc1ncccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8335545063018799
+O=C(c1cccs1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1,-1.0892397165298462
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.060233473777771
+O=C(c1ccc(I)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.0109126567840576
+O=C(c1ccccc1)N1CCc2cnc(-c3ccc(F)c(F)c3)nc2C1,-0.28739026188850403
+O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.5129146575927734
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3456926345825195
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0436631441116333
+Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(C)c1,-1.0768768787384033
+C[NH+]1CCC(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)CC1,-1.3295612335205078
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5713480710983276
+Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2C2CCCCC2)c(N)n1,-0.9117323160171509
+Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1F,-1.060051679611206
+Cn1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1,-1.0019173622131348
+O=C(Cc1ccc(F)cc1)N[C@@H](CO)c1cccc(Br)c1,-1.2480705976486206
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5910931825637817
+C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1,-1.270857810974121
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9608291387557983
+Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3C)CCO2)cc1,-1.2384496927261353
+Nc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1F,-1.3939719200134277
+Nc1ccc(CN2CCN(C(O)=NCC(O)c3ccccc3)CC2)cc1,-1.1727641820907593
+O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1,-1.1226755380630493
+O=C(c1ccccc1)N1CCN(C(O)=NCc2ccc(Cl)cc2)CC1,-1.0303070545196533
+Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(Br)cc3)C2)no1,-1.1918994188308716
+Fc1ccc(NCc2cccc(-c3ccc(F)cc3)c2)cc1,-1.2212138175964355
+Cc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.3549716472625732
+N#Cc1cccc(C(=O)Nc2ccc(C3CCCC3)cc2)c1,-1.3065921068191528
+Cc1csc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c1,-1.065704584121704
+Cc1cccc(-c2nnc(COc3ccc(F)cc3C)o2)c1,-1.0475854873657227
+CC(C)(O)CNC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.4581997394561768
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8271806240081787
+Nc1cccc(CNS(=O)(=O)CCc2ccccc2)c1,-1.6169170141220093
+O=C(CCCN1CCCC1)N1CCN(Cc2ccccc2)CC1,-1.519417643547058
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2096871137619019
+O=C(NCc1nonc1-c1ccccc1)C1CC1,-1.474252700805664
+C[C@H](CC(=O)Nc1ccc(F)cc1)Oc1ccc(N)cc1,-1.489516258239746
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.091942548751831
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203795433044434
+O=C(Cn1ncc2ccccc21)NCc1ccc(O)cc1,-1.3630353212356567
+COc1cccc(CNC(=O)c2cc(C)on2)c1,-1.6184159517288208
+Cc1ccc(NC(=O)C(C)(C)N=C(O)Cc2ccccc2)cc1,-1.4384539127349854
+O=C(NC1(c2ccc(I)cc2)CCC1)c1ccc(Cl)nc1,-0.9115573763847351
+C[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(F)cc1,-1.461515188217163
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.685807704925537
+O=C(COc1ccc(F)cc1)Nc1cccc2[nH]ccc12,-1.3537051677703857
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3429049253463745
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cn1,-0.9892629384994507
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1982582807540894
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9728034734725952
+O=C(c1ccc(O)cc1)N1CCCN(Cc2ccccc2)CC1,-1.4611945152282715
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.152679681777954
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2258293628692627
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0577685832977295
+c1ccc(-c2ccc(CNCc3cccs3)s2)cc1,-1.55063796043396
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.2124537229537964
+C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2)CC[C@@H]1c1ccccc1,-0.9555118083953857
+O=C(NC1CCCCCC1)N1CCOC[C@@H]1c1ccc(F)cc1,-1.4276000261306763
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238688230514526
+O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.4726718664169312
+C[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CCO2)CC1,-1.5787683725357056
+Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)cc1,-0.7945723533630371
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9813079833984375
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0356128215789795
+CC(C)(O)CC(=O)Nc1ccc(Oc2ccccn2)cc1,-1.621122121810913
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]cnc2c1,-0.8443648815155029
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8777654767036438
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0630972385406494
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1947190761566162
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.189558744430542
+CC1CCN(C(=O)NC(Cc2ccccc2)C(C)C)CC1,-1.5383901596069336
+COc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1,-1.4794507026672363
+Cc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1,-1.2444676160812378
+Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2250699996948242
+Cc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)no1,-1.0790258646011353
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4238746166229248
+O=C(N[C@@H]1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1F,-1.1803027391433716
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.140344262123108
+CC(C)(O)CNC(=O)[C@@H]1CCCCN1c1cccc(Cl)c1,-1.2509273290634155
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2898470163345337
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0265357494354248
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.004206895828247
+O=C(Nc1ccc(N2CCCCCCC2=O)cc1)c1ccccc1,-1.323529839515686
+CC(C)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1,-1.2999935150146484
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1207544803619385
+Cc1ccc(C(=O)Nc2ccccc2)c(F)c1,-1.6126176118850708
+Cc1ccc(N2CCC(C(=O)Nc3ncccc3Br)CC2)cc1,-0.8185163140296936
+O=CNC[C@@H](O)c1ccc(F)cc1,-1.8143585920333862
+O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.4880805015563965
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.3049696683883667
+O=C(Cc1ccc([O-])cc1)N[C@@H]1CCC[C@H]1c1cccs1,-1.3402817249298096
+Oc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.3951921463012695
+O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-1.0130109786987305
+O=C(CCN1CCCCCCC1=O)NCc1ccc(Cl)cc1,-1.3698766231536865
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(F)c2)n[nH]1,-1.1119755506515503
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1csc(-c2ccccc2)n1,-1.0543674230575562
+O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520397424697876
+C[NH+]1CC[C@@]2(COCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1,-1.2051185369491577
+Cc1ccc(CNC(=O)c2ccc3oc(C)nc3c2)nc1,-1.0367529392242432
+CC(C)c1ccccc1NC(=O)Cc1cc(F)ccc1Cl,-0.8957933187484741
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.985055685043335
+O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CCC2,-1.1282397508621216
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.0305626392364502
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0301955938339233
+CCCCc1ccc(NC(=O)C(=O)N2CCC(C)CC2)cc1,-1.3828065395355225
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0032110214233398
+CCc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,-1.0330294370651245
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1F,-1.1274086236953735
+CC(C)(C)CC(=O)c1ccc(OCc2ccccc2)cc1,-1.6009430885314941
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3265390396118164
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4411871433258057
+Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)cc1,-1.115576982498169
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.975212812423706
+Cc1ccc(NC(=O)COc2cc(F)ccc2F)cc1F,-0.9807191491127014
+CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.4782050848007202
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.526545763015747
+O=C(Nc1ccc(O)cc1F)c1ccc(N2CCOCC2)cc1,-1.1375497579574585
+C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCC[NH+]2C)CC1,-1.0586344003677368
+C[C@@H]1CCCN(C(=O)NCC[NH+]2CCC3(CCCC3)C2)C1,-1.5310022830963135
+O=C1C[C@@H](NC(=O)c2ccccc2)C[C@H](c2ccccc2)C1,-1.4314332008361816
+Cc1cnc2ccc(C(=O)N3CCN(c4cccc(F)c4)CC3)cc2c1,-0.5544406771659851
+Fc1ccc(-c2ccc(COc3ccc(Br)cc3)nn2)cc1,-0.9674241542816162
+Cc1cccc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0968778133392334
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccns2)CC1,-0.9007835984230042
+[NH3+]CCC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1,-0.7963628768920898
+Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1Cl,-0.9866584539413452
+Cc1ccc(CNC(=O)CN=C(O)c2ccc(F)c(Cl)c2)cc1,-1.0266855955123901
+Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1,-0.7344632148742676
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-1.1071895360946655
+Cc1ccc(-c2ccccc2NC(=O)[C@H]2CC[NH2+]C[C@H]2C)cc1,-1.037399172782898
+CC(C)Cc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1,-0.8909531831741333
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.8095641136169434
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212525486946106
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8260049819946289
+COc1ccccc1CN[C@@H]1CCCN(C(C)C)C1,-1.508790373802185
+O=C(N[C@@H]1CC12CCC2)N1CCC[C@H]([NH+]2CCCCC2)C1,-1.2980067729949951
+O=C(Nc1ccc2cn[nH]c2c1)[C@H]1CCC[C@@H]1c1ccccc1,-1.0234200954437256
+C=CCN=C(O)Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1,-1.3982021808624268
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3946866989135742
+CC(C)(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.0779321193695068
+O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.7262846231460571
+Cc1ccc(-c2ccccc2)cc1,-1.8323743343353271
+O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[C@@H](F)C1,-1.0224697589874268
+Cc1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.1130348443984985
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3002338409423828
+Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(C)n1,-1.1315357685089111
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.355332374572754
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.2831387519836426
+CC(=O)C(=O)Nc1ccc(Nc2ccc(F)cc2)cc1,-1.4971766471862793
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7905048727989197
+Cc1ccc(CC2CCN(C(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1,-1.056170105934143
+O=C(Nc1ccccc1Cl)C1CCN(c2cccc(F)c2)CC1,-0.9811400771141052
+Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9873418211936951
+CC[C@@H](C)CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1,-1.28261399269104
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.353896975517273
+Fc1ccc2[nH]c(-c3ccc(-c4nc(-c5ccccc5)no4)cc3)nc2c1,-0.49341392517089844
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1455957889556885
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2593344449996948
+O=C(NCc1cccc2ccccc12)c1cc2ccccc2s1,-0.9376939535140991
+Cc1ccc(C[C@H](C)C(=O)N2CCN(C(=O)C(C)C)CC2)cc1,-0.9521716237068176
+Cc1ccccc1N1CCOC[C@@H]1CNC(=O)C(C)(C)C,-1.4348640441894531
+c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2504328489303589
+N#Cc1ccc(NC(=O)COc2ccc(O)cc2)cc1,-1.6411782503128052
+CN(C[C@@H](O)c1ccccc1)C(=O)Cc1ccc(Br)cc1,-1.419258713722229
+Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3788167238235474
+Nc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)nc1,-0.952544629573822
+CCCCC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.2923994064331055
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.8062538504600525
+Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1Br,-1.1091740131378174
+O=C(Nc1ccccc1)C(=O)Nc1ccnc2ccccc12,-1.2857497930526733
+Fc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2813708782196045
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3965190649032593
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2991434335708618
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8421897292137146
+NC(=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1,-1.2993848323822021
+[NH3+][C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9372673034667969
+Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)s1,-1.0034432411193848
+O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(F)cc1,-0.8993984460830688
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1csc(-c2ccccc2)n1,-0.931334376335144
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9635616540908813
+CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1,-1.2427539825439453
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1O,-1.076372504234314
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1,-0.9985208511352539
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.338067889213562
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.273407220840454
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1,-1.0202076435089111
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)c1,-0.9351432919502258
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c([NH3+])c1,-1.1103718280792236
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9830365180969238
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9285743832588196
+Cc1ccc(C(=O)NC2CCN(c3ncccc3O)CC2)cc1,-1.0499556064605713
+Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1Br,-0.8869702219963074
+CC(C)(CCc1ccc(O)cc1)NC(=O)C1CCCCC1,-1.537333607673645
+O=C(c1cccs1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1,-0.9367901086807251
+C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.287579894065857
+Cc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1,-1.1277785301208496
+Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n(C(C)C)n1,-1.0718785524368286
+C[C@@H]1CN(c2ccc(OCc3ccc(Br)cc3)cc2)CCO1,-1.3648935556411743
+Nc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9791513085365295
+Cc1ccc([C@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2)cc1,-1.122635006904602
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)nc1,-1.1049885749816895
+O=C(NCc1ccc(O)c(O)c1)C1CC2(CCC2)C1,-1.5508254766464233
+CCC(C)Oc1ccc(CNC2CCOCC2)cc1,-1.6510989665985107
+O=C(NCc1ccccc1F)Nc1ccccc1,-1.641202449798584
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9996262192726135
+CC1(C)CN(C(=O)NC[C@H](O)c2ccc(Br)cc2)CCO1,-1.4446707963943481
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.065950870513916
+CC1(C)CCC[C@H]1CNC(=O)[C@@H]1CC2(CCOCC2)CO1,-1.6024008989334106
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.9266673922538757
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0122112035751343
+O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CCCCC2)CC1,-0.8088578581809998
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1517040729522705
+CC1(C)CC[C@H](C(=O)Nc2ncsc2-c2ccccc2)C1,-1.1574198007583618
+CC[C@H]1CCCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1,-1.3944332599639893
+O=C(Cn1ncc2ccccc21)NCc1ccc(Br)cc1,-1.157216191291809
+O=C([C@H]1CCOC2(CCOCC2)C1)N1CCCC[C@H]1c1ccc(F)cc1,-1.0872113704681396
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.005481243133545
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4669986963272095
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12,-0.3893755376338959
+CC(C)(CC(=O)O)C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1938062906265259
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0237287282943726
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858068704605103
+CC(C)(O)CC(=O)Nc1cccc(CC2CCOCC2)c1,-1.5998612642288208
+Cc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.097381830215454
+CC1CN(CC2CCCCC2)CCC1Nc1ccc(Cl)cc1,-1.1100308895111084
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)CC2)cn1,-1.2494962215423584
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3992379903793335
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.5860977172851562
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0222194194793701
+Cc1ccc(C(=O)Nc2ccc(CC[S+](C)[O-])cc2)c(C)n1,-0.982306182384491
+O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.1357258558273315
+O=C(NCc1ccccc1Br)[C@H]1CCC[NH+](CCO)C1,-1.3962260484695435
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1868529319763184
+Nc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.1755236387252808
+CC(C)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1,-1.5049562454223633
+Cc1ccc2cc(C(=O)NCc3cccc(F)c3)[nH]c2c1,-1.2250043153762817
+Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)oc1C,-1.0153878927230835
+C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4496548175811768
+O=C(Nc1ccc(O)cc1)[C@@H]1CCCN(c2ccccc2F)C1,-1.0850834846496582
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6711688041687012
+CC(C)(O)C1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1,-1.0198376178741455
+Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9857975840568542
+O=C(CCc1ccc(F)cc1)N[C@@H]1C[C@H]1C1CCOCC1,-1.448013186454773
+Cc1ccccc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(Cl)cc1,-1.0045644044876099
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9137197732925415
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1488419771194458
+O=C(c1ccc2ccc(F)cc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4599812924861908
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0830788612365723
+O=C(CSCc1ccccc1)Nc1ccccc1,-1.6968697309494019
+O=C(C[C@H]1C[C@H]1C1CCOCC1)NCc1ccc(Br)cc1,-1.279897689819336
+O=C(Cn1c(O)nc2ccccc21)NCc1ccccc1,-1.5002235174179077
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.107800006866455
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.9720433950424194
+Cc1cccc(NC(=O)C(=O)Nc2ccc(N)cc2)c1,-1.5294674634933472
+Cc1ccc(CNC(=O)CCCc2ccc(F)cc2)nc1,-1.4433863162994385
+O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccc2)ccn1,-0.8795279264450073
+Cc1cnc(CC2CCN(C(=O)c3cnc(C)s3)CC2)s1,-0.7087923884391785
+CC[C@@H](C)NC(=O)CN1CCC(c2ccc(C)cc2)CC1,-1.3589454889297485
+O=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1,-1.4758667945861816
+Cn1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)n1,-1.1090658903121948
+Cc1cnc(Cl)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-0.9157034158706665
+O=C(NCc1ccccc1)[C@@H]1CCC[NH+](C2CCCCCC2)C1,-1.4818165302276611
+Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(-c2ccc(F)cc2)nn1,-0.5538417100906372
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329941987991333
+O=C(COc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1,-1.2918577194213867
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0005730390548706
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(N)cc2)CC1,-1.5461575984954834
+O=C(c1cccc(Cl)c1)N1CCC[NH+](Cc2ccccc2)CC1,-1.2958208322525024
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9530431032180786
+CC(O)=Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1C,-0.892018735408783
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0365924835205078
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.1736526489257812
+Nc1ccc(C(=O)NC[C@H]2C[C@@H]3CCCC[C@H]3O2)cc1Cl,-1.0562403202056885
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.6737488508224487
+Cc1ccc(CCCNC(=O)N2CC3(CCOCC3)C2)o1,-1.5999150276184082
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8971202373504639
+O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,-0.6983956098556519
+O=C(N[C@H]1CCCN(c2ccc(Br)cc2)CC1)c1ccccc1,-1.176555871963501
+O=C(Cc1nc2ccccc2o1)NCc1ccc(F)cc1,-1.3239320516586304
+CCOc1ccc(NC(=O)c2cc(Cl)no2)cc1,-1.5138972997665405
+CC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0452107191085815
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1,-1.1006556749343872
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1,-1.2199671268463135
+C[C@@H]1CN(C(=O)NC2CCC(c3ccccc3)CC2)CCCO1,-1.3940836191177368
+O=C(c1ccc(F)cc1)N1CCC(Nc2ncccc2F)CC1,-0.8413701057434082
+[NH3+]c1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.183313012123108
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874218106269836
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238603591918945
+Nc1cccc(C(=O)N2CCC([NH+]3CCCC4(CCOCC4)C3)CC2)c1,-1.050201654434204
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9732581377029419
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)C1CCCCCC1,-1.1707987785339355
+Clc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br,-1.066361665725708
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-1.072285771369934
+O=C(c1cc(F)ccc1Cl)N1CC[NH+](C[C@H]2CCCCO2)CC1,-0.9413456916809082
+Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)no1,-1.0802279710769653
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-1.0422221422195435
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.2526460886001587
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5748823881149292
+Cc1ccc(N2CCN(C(=O)c3ccc4nc(O)cnc4c3)CC2)cc1,-0.5595571994781494
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.646376371383667
+Cc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.3115285634994507
+O=C(Cc1ccccc1)N1CCN(c2ccc(F)c3ccccc23)CC1,-0.7823092937469482
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1616021394729614
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2095041275024414
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.3022948503494263
+O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCNC2=O)cc1,-1.4315308332443237
+Cc1ccc(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1,-1.5675654411315918
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1877801418304443
+O=C(N[C@H]1CCCN1c1ccc(F)cc1F)c1ccccc1F,-0.6901776790618896
+Cc1nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2[nH]1,-0.8528947830200195
+Cn1ccnc1CNC(=O)Nc1ccc(Br)cc1,-1.381123423576355
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9514546990394592
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1782604455947876
+O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1,-1.4621734619140625
+CC1(C)CC[C@H](C(=O)NC[C@H]2CCCC(F)(F)C2)C1,-1.3969671726226807
+O=C(NCc1ccccc1)N1CCCC2(CC=CCCC2)C1,-1.5811712741851807
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9397826790809631
+O=C(Cc1cccc(C2CC2)c1)NCC1CCC1,-1.6598756313323975
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2176172733306885
+Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)c(C)c1,-1.1346324682235718
+O=C1CN(c2ccccc2NC(=O)[C@H]2CCCOC2)CCN1,-1.5017096996307373
+CCOC(=O)Cc1ccccc1N[C@H]1CCOc2ccccc21,-1.3049453496932983
+CC(C)Oc1ccc(C(=O)N2CCN(C)C[C@H](C)C2)cc1,-1.3990696668624878
+Cn1cc(CNc2ccccc2Cl)c(-c2ccc(F)cc2)n1,-0.8955544829368591
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.120933175086975
+CCOc1ccccc1NC(=O)[C@H]1CC[NH+](C)C1,-1.6139365434646606
+Cc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.284654974937439
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.508731722831726
+CC(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1,-1.5616755485534668
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc([O-])cc1,-1.2938693761825562
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0994764566421509
+CCOc1ccc(CN2CCN(C(O)=NC3CCC3)CC2)cc1,-1.4222157001495361
+COc1ccc(S(=O)(=O)CC(=O)NC2CCCCC2)cc1,-1.5491946935653687
+Cc1cc(F)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1,-1.045860767364502
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)nc2)cc1,-1.0373573303222656
+O=C(N[C@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)nc1,-0.9234915971755981
+CC(C)(C)CC1CCN(C(=O)c2ccc(CC#N)cc2)CC1,-1.1522163152694702
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9339338541030884
+O=C(Nc1ccc(Br)cc1F)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1,-0.7927663326263428
+O=C(N[C@@H]1CCC2(CC2)C1)c1cc(-c2ccccc2)[nH]n1,-1.2886501550674438
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6538878679275513
+CCCCCCCCCCCCCC(=O)Nc1ccc(OCCCC)cc1,-1.5444666147232056
+Nc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.1855709552764893
+O=C(NCc1ccc(Cl)cn1)N1CCOC2(CCCC2)C1,-1.4321812391281128
+O=C(CCc1ccc(Br)cc1)NC[C@@H]1CCNC(=O)C1,-1.4479180574417114
+Cc1nc2cc(C(=O)NCc3ccc(F)nc3)ccc2o1,-0.9899628758430481
+C[C@H](O)[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1,-1.0896440744400024
+Cc1ccccc1C1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1,-1.1663719415664673
+O=C(Cc1cc(Cl)ccc1F)NCCc1ccc(Cl)cc1,-0.9957969784736633
+Cc1cc(C(=O)N2CCC(c3ccc(N)cc3)CC2)c2ccccc2n1,-0.46394914388656616
+Cc1nnc(NC(=O)C(=O)N(C)c2ccc(F)cc2)s1,-0.8502257466316223
+Cc1ccc(-c2nn(C)cc2S(=O)(=O)Nc2ccccc2)cc1,-1.147359848022461
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5096248388290405
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.098227858543396
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4702777862548828
+CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.572595238685608
+Fc1ccc(OCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2148221731185913
+O=C(Nc1ccc(F)cc1)c1cccc(N2CCOC2=O)c1,-1.2545908689498901
+O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCCc3ccccc32)CC1,-0.7654880881309509
+Cc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-0.9295307993888855
+Cc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5616531372070312
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8202997446060181
+CN(C)c1ccc(CNC(=O)c2cccs2)cc1,-1.5737582445144653
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043324708938599
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.2868351936340332
+Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)no1,-1.13509202003479
+Cc1cc(O)ccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.0806125402450562
+O=C1Cc2cc(C(=O)NC[C@H]3CCCCO3)ccc2N1,-1.539226770401001
+O=C(Cc1ccc(Br)cc1F)NCCc1ccc(F)cc1,-1.0235694646835327
+[NH3+]c1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1,-1.1419662237167358
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8829757571220398
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)s1,-0.6618995666503906
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2647050619125366
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.023908257484436
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019379377365112
+O=C(c1ccc(F)cc1O)N1CC[NH+](CC2CCCCC2)CC1,-1.0604150295257568
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1,-0.9704054594039917
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9584201574325562
+Nc1ccc(C(=O)NC[C@H]2CC23CCCC3)cc1O,-1.3426512479782104
+O=C(Nc1ccc(F)cc1)C(O)=Nc1ccccc1-c1ccccc1,-1.090011715888977
+Cc1nc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)cs1,-0.8628396987915039
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9589036703109741
+Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1,-1.0195881128311157
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)nc2)cc1,-0.8252853751182556
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.672670841217041
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.985693097114563
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.1980947256088257
+CCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9427326321601868
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2o1,-0.9758630394935608
+CC[NH+]1CCC[C@H](NC(=O)N2CCCCOC23CCCCC3)C1,-1.4942837953567505
+Cc1nc2c(s1)CC[C@H](CNC(=O)c1ccc(F)cc1)C2,-0.8127962350845337
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5174819231033325
+Clc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1,-0.9130890369415283
+COc1ccc(NC(=O)c2cc3c(s2)C[C@@H](C)CC3)cc1,-0.9611192345619202
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.6737488508224487
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2984310388565063
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679438352584839
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9893311858177185
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.158252239227295
+O=C(c1ccccc1O)N1CCN(Cc2cccc(F)c2)CC1,-1.1325109004974365
+CC(=O)N1CCC[C@H](NC(=O)Cc2cccc(F)c2)C1,-1.3773976564407349
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccn(-c2ccccc2)n1,-1.0744813680648804
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2450984716415405
+O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1,-0.9954932928085327
+O=C(Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.4289153814315796
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.3262733221054077
+NC(=O)C(=O)Nc1ccccc1Oc1ccc(Br)cc1,-1.3476537466049194
+O=C(NC[C@H](O)c1ccc2c(c1)CCC2)c1ccc(Cl)o1,-1.118822455406189
+O=C(NCc1ccc(F)c(Cl)c1)c1ccc2nc[nH]c2c1,-0.8128092288970947
+COc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1,-1.5255088806152344
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2244994640350342
+CCOc1ccc(NC(=O)c2cc(Br)n[nH]2)cc1,-1.4385093450546265
+O=C(C1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1,-1.2173629999160767
+Cc1cnc2ccc(C(=O)N3CC[NH+](c4ccccc4)[C@@H](C)C3)cc2c1,-0.6061776280403137
+O=C(CN1CCCC1=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.5159825086593628
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]2CCC[C@H]21,-0.7229689955711365
+COc1ccc(CNc2cccc(S(C)(=O)=O)c2)cc1,-1.5649198293685913
+C[C@@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.0646709203720093
+c1ccc(-c2noc(-c3ccc(C[NH+]4CCOCC4)cc3)n2)nc1,-1.168365716934204
+Cc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.083717942237854
+O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1Cl,-0.8047817945480347
+CC1(C)CCN(C(=O)Nc2ccc(CC(=O)O)cc2)C1,-1.553604006767273
+Cc1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)c(F)c1,-0.9682095050811768
+O=C(C[NH+]1Cc2ccccc2C1)NCc1ccc(I)cc1,-1.4062795639038086
+O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9802740216255188
+O=C(NCC1CCOCC1)Nc1ccc(Br)cc1,-1.5676517486572266
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9126192927360535
+Cc1cnc(Nc2ccc(N)cc2)c(Cc2ccccc2)n1,-1.0660254955291748
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2008750438690186
+Cc1ccc(OCCN2CCN(C(=O)C(C)C)CC2)cc1,-1.441325306892395
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0983691215515137
+Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1,-1.414135217666626
+CCOc1ccc(NCc2ccc(Br)cc2Cl)cc1,-1.3485687971115112
+Cc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.305778980255127
+CCC1CCN(C(=O)c2ccncc2-c2ccc(Cl)cc2)CC1,-0.8352572917938232
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.261675238609314
+Cc1ccccc1[C@H]1C[C@@H](NC(=O)c2ccc(N)cc2)CCO1,-1.1517057418823242
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(Cl)c1,-1.2067351341247559
+O=C(NCc1ccc(O)cc1)N1CCC2(CCCCC2)C1,-1.5538063049316406
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.8793774247169495
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595025777816772
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8823189735412598
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.4563372135162354
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0735570192337036
+Cc1ccc(CC(=O)NCCc2ccc(F)cc2)c(C)c1,-1.2704689502716064
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.953275740146637
+CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.3239316940307617
+CCc1nc(CC(=O)NCc2ccccc2)cs1,-1.6417083740234375
+Cc1ccccc1C(=O)N1CCC(Nc2ccc(O)cc2)CC1,-1.1652482748031616
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3020862340927124
+CC(C)(O)CNC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.542540192604065
+O=C(Cc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1,-1.172940731048584
+Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1,-0.9082092046737671
+Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3733807802200317
+Clc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.0103315114974976
+Clc1cccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)c1,-1.0027246475219727
+Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.4286233186721802
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1044745445251465
+O=C(Cc1ccccc1F)N[C@@H]1CCCN(c2ccccc2)C1,-1.2732744216918945
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400132894515991
+CC(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.3196749687194824
+O=C(N[C@@H]1CC12CCCCC2)N1CCN(c2ccccc2)CC1,-1.3274749517440796
+CC(C)c1nc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)no1,-0.9656895399093628
+O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1,-1.3183917999267578
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.106990098953247
+CCC[C@@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1,-1.5580207109451294
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2562638521194458
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.8682754635810852
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(Cl)cc1,-1.169795036315918
+CCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1,-1.4725074768066406
+O=C(NC1CCCCCC1)C1CCN(c2ccc(Cl)cc2)CC1,-1.0818251371383667
+C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH+](C3CCOCC3)C2)CC1,-1.4435075521469116
+OCCC[NH+]1CCOCC1,-2.00488543510437
+Nc1ccc(F)cc1N1CCOCC1,-1.6894892454147339
+O=C(N[C@@H]1CCC[NH+]1Cc1ccccc1)C1CC1,-1.6280312538146973
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.661119818687439
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(N)cc2)CC1,-1.4574253559112549
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCCC2)CC1,-1.401076316833496
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1022934913635254
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1c1ccccc1,-0.9516270756721497
+Cc1nc2cc(COc3cccc(C(=O)O)c3)ccc2o1,-1.2575368881225586
+Cc1cc(F)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1,-1.2084484100341797
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.7914953827857971
+O=C(CC1CCCC1)N1CCN(C(=O)c2ccccc2)CC1,-1.4378440380096436
+Cc1ccc(C(=O)NCc2nc3cc(Br)ccc3[nH]2)cc1,-0.8401213884353638
+Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C)C3)cc2)no1,-1.137113094329834
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1F,-1.1992589235305786
+O=C(CCc1ccccn1)Nc1ccc(N2CCOCC2)cc1,-1.498867154121399
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203850269317627
+O=C(Nc1ccc(Cl)cc1Cl)N1CCOC(c2ccccc2)C1,-0.9766780734062195
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1O,-1.389687418937683
+C[C@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1846650838851929
+O=C(NCc1ccc(Cl)cc1F)c1c(F)cc(F)cc1Cl,-0.336029052734375
+Cc1ccc(C(=O)N2CCN(CC(O)=Nc3nc(C)cs3)CC2)cc1,-0.8254379630088806
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-0.9911177158355713
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.7072582244873047
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0750222206115723
+CN(Cc1cccc(F)c1)NCc1ccccc1Br,-1.3105875253677368
+O=C(O)c1cccc(CNCc2ccccc2)c1,-1.6734204292297363
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439770579338074
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0132379531860352
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1059812307357788
+CCN1CCN(C2CCN(C(=O)c3ccc(N)cc3)CC2)CC1,-0.9973695278167725
+CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1,-1.1629931926727295
+CS(=O)(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.104901671409607
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1193197965621948
+O=C(Cc1ccc([O-])cc1)NCc1nc2ccccc2[nH]1,-1.2522575855255127
+Oc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-1.0133041143417358
+O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2F)cc1,-0.9512600898742676
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.2831194400787354
+CCC1CCN(C(=O)C(=O)Nc2ccc3nn[nH]c3c2)CC1,-0.9913772940635681
+C[NH+]1CCN(c2ccccc2C(=O)NC2(C)CCC2)CC1,-1.3032015562057495
+Cc1cc(S)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.099339246749878
+CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1,-1.5431129932403564
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4743205308914185
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,-0.6871132254600525
+CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1,-0.8764377236366272
+Cc1ccc(C(=O)NCC(=O)NC(C)C)cc1,-1.6842914819717407
+COc1ccc(CNC(=O)c2cc(Br)sn2)cc1,-1.2552891969680786
+Cc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1,-1.1357382535934448
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.1793019771575928
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2388437986373901
+CCOc1ccc(NC(=O)c2cc(N)[nH]n2)cc1,-1.5785852670669556
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3718416690826416
+O=C(Nc1ccc(O)cc1Cl)c1ccc(N2CCOCC2)cc1,-1.0703356266021729
+Cc1nc(C[NH+]2CCN(c3cccc(C(C)C)c3)CC2)cs1,-1.0120850801467896
+COCCOc1ccc(Nc2ccc(I)cc2)cc1,-1.494486689567566
+Nc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl,-1.2167484760284424
+O=C(c1cc(Cl)nc2ccccc12)N1CCC(c2ccc(F)cc2)CC1,-0.25246888399124146
+C[C@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.1663401126861572
+Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.5030511617660522
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCCC[C@@H]1O,-1.2024788856506348
+Cc1ccc(OCCC(=O)Nc2ccc(C)cc2C)cc1,-1.55866539478302
+O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCO2,-1.353955864906311
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1,-1.464616060256958
+O=C(Nc1ccc(F)cc1O)N1CCC([NH+]2CCCCC2)CC1,-1.095484972000122
+CC(C)C(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1,-1.105225920677185
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.8690937161445618
+O=C(Cc1ccccc1)NCC(=O)c1ccc(I)cc1,-1.442184329032898
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.5388656854629517
+Cc1cc(CNC(=O)c2ccc(C#N)cc2)ccc1Cl,-1.1138224601745605
+O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.4931936264038086
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2163357734680176
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0736610889434814
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9437375068664551
+Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1644415855407715
+Cc1ccc(NC(=O)c2cccc(-c3ccccc3)n2)c(C)c1,-1.1406171321868896
+Cn1cc(CNC(=O)c2ccc(CO)cc2)cn1,-1.6556445360183716
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.515116810798645
+CCCCC(=O)NC1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0767799615859985
+CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(Br)cn1,-1.1689586639404297
+CCc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0391600131988525
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.1932692527770996
+Oc1ccc(C[NH+]2CCN(CC3CCCCC3)CC2)cc1O,-1.4418188333511353
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0693438053131104
+CCNc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4763789176940918
+C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.0851730108261108
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4505997896194458
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9953168034553528
+O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[NH+](C2CCCCC2)C1,-0.8176698088645935
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.964703381061554
+COc1ccc(CN2CCN(CC3CC3)CC2)cc1,-1.6087111234664917
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0073935985565186
+Cc1ccc(N2CCC(NC(=O)c3ncccc3C)CC2)cc1,-1.0021990537643433
+Nc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.973723292350769
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0763583183288574
+CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1,-1.639035940170288
+Cc1nc(C)c(CNC(=O)c2ccc3c(c2)nnn3C)s1,-0.41727912425994873
+O=C(NC[C@H]1CCCC[C@H]1O)N[C@@H]1CC12CCC2,-1.59745192527771
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.2675986289978027
+COc1ccccc1CC(N)=O,-1.8531042337417603
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0520395040512085
+Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5266988277435303
+COc1cc(C(=O)N[C@@H]2CCC3CC[NH+](C3)C2)ccc1F,-1.0503945350646973
+Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2[nH]1,-0.9730064272880554
+O=C(CCCNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.182963490486145
+CCOc1ccc(C(=O)NC2CCN(C)C2)cc1,-1.6283482313156128
+Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CCC[NH+](C)C1)C2,-0.7128692865371704
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599812030792236
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.149278998374939
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.2841870784759521
+COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)O2,-1.3744264841079712
+CCCCc1ccc(NC(=O)N2CCc3oc(C)nc3C2)cc1,-1.0278921127319336
+C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1c1ccc(F)cc1,-0.8261013031005859
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0399737358093262
+Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.3416297435760498
+C[NH+]1CCC[C@H](NC(=O)CCCCc2ccc(F)cc2)C1,-1.5257861614227295
+Cc1cccnc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2750505208969116
+CCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2C)CC1,-0.973633348941803
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8332904577255249
+O=S1(=O)CCN(Cc2cc(Cc3ccccc3)no2)C1,-1.5929757356643677
+Cc1ccc2cc(C(=O)NCc3cccc(Cl)c3)oc2c1,-1.232722520828247
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589171409606934
+O=C(NC1CCCCCC1)N1CCN(c2cccc(F)c2)CC1,-1.1934876441955566
+Cc1ccc(-c2cc(NC(=O)c3ccc(C)s3)n[nH]2)cc1,-1.0364466905593872
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0781728029251099
+CCN1CCC(C(=O)N2CCN(c3ccc(N)cc3)CC2)CC1,-0.9901094436645508
+Cc1nc2ccccc2n1CC(=O)NCc1ccccc1,-1.2399407625198364
+Cc1nc2ccc(CNC(=O)N3CCC[C@H](C)C3)cc2s1,-0.8489536046981812
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1970539093017578
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.025048017501831
+CC(C)(O)CC(=O)Nc1ccc(OCCC(N)=O)cc1,-1.6294634342193604
+CCC1CCCCN1c1ccc(CNC(C)C)cc1,-1.432996153831482
+CC1CN(C(=O)NCCc2ccc(F)cc2Cl)CC(C)O1,-1.0077208280563354
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0390986204147339
+CC(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(O)cc2F)C1,-0.8944026827812195
+Nc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1,-1.3755673170089722
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.9457529783248901
+CN(C)c1ccc(NC(=O)CCN2CC[NH+](C)CC2)cc1,-1.447885513305664
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.1804486513137817
+CC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1,-1.2785331010818481
+Fc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1Cl,-1.212371587753296
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.283693790435791
+O=C(c1ccccc1F)N1CCC[C@@H](C(O)=NCc2ccccc2)C1,-1.1528406143188477
+O=C(NCCc1ccccc1)c1ccc(O)cc1,-1.6723108291625977
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1479049921035767
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8935768008232117
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.1169317960739136
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cc1,-1.145242691040039
+Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n[nH]1,-0.9285670518875122
+CNC(=O)c1ccccc1NC(=O)c1ccccc1,-1.5732364654541016
+CC(=O)c1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1,-1.101103663444519
+Cc1cc(C(=O)N2CCC[C@H]2Cc2ccc(Cl)cc2)n[nH]1,-0.9444210529327393
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cn1,-1.1342015266418457
+CC(C)(c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.305464506149292
+O=C(NCCc1cccs1)Nc1ccc([O-])cc1,-1.6889020204544067
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.145612359046936
+CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)cc1,-1.615444302558899
+C=CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6434630155563354
+O=C(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2,-1.3137860298156738
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1380178928375244
+Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1,-1.173911690711975
+Cc1noc(-c2ccc(NC(=O)[C@H]3CCCCC[C@H]3C)cc2)n1,-0.9701611995697021
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccn(-c2ccccc2)n1,-1.0733369588851929
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.3693736791610718
+O=C(C[NH+]1CCc2[nH]ncc2C1)NCc1ccc(O)cc1,-1.4773286581039429
+O=C(Nc1ccc(Br)cc1F)N1CCCC[C@H]1c1ccccc1,-0.866653561592102
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0299530029296875
+C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)c1ccc(Br)cc1,-1.1066744327545166
+CC(C)c1ccc(N2CCN(C(=O)c3ccccn3)CC2)cc1,-1.008136510848999
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0317455530166626
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.3206536769866943
+CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0666614770889282
+Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0176671743392944
+COc1ccccc1CNC(=O)N1CCCCC1=O,-1.5727728605270386
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708746790885925
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382968425750732
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc([ClH+])cc1,-1.1338917016983032
+[NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3Cl)cc2)C1,-0.9478442668914795
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)s1,-1.0635037422180176
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cn1,-0.9282413721084595
+CCCCCCCCCCCCCCCCc1ccc(CNC(C)=O)cc1,-1.5717252492904663
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.0560942888259888
+CN1CCCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1,-0.8789600729942322
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577692031860352
+Cc1nc(C[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cs1,-0.47240275144577026
+COc1ccc(C[NH+]2CCN(c3nnc4ccccn34)CC2)cc1,-1.1005442142486572
+Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1O,-1.3585387468338013
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.148071527481079
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.094125747680664
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.4404675960540771
+Cc1nc2cc(CNC(=O)N3CC[NH+](C)CC3)ccc2o1,-1.1322686672210693
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2692204713821411
+[NH3+]c1cc(Cl)ccc1-c1ccc(NC(=O)c2ccccc2)cc1,-1.0444098711013794
+C[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.8785184025764465
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.5154463052749634
+Cc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1,-1.43364417552948
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.0657074451446533
+O=C(Cc1ccccc1Br)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2988853454589844
+O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCCC1,-1.1433919668197632
+O=C(NCc1ccccc1)N1CCC(O)C2(CCCC2)C1,-1.552330732345581
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2s1,-0.7707525491714478
+CCc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1,-0.9152065515518188
+Cc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1I,-0.9349339008331299
+COc1ccc(C(=O)N2CCC([NH+]3CCC(C)CC3)CC2)cc1,-1.0987436771392822
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2760578393936157
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898302555084229
+CCN1CCN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1,-1.1089695692062378
+O=C(N[C@H]1CCc2ccccc2C1)[C@H]1CCC[NH+]1C1CCCC1,-1.0302122831344604
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-0.9052156805992126
+O=C(c1ccc2c(c1)CCCCC2)N1CCN(c2ccc(F)cc2)CC1,-0.7068344950675964
+O=C(CSc1nnc(Cl)s1)NCc1ccccc1,-1.2966692447662354
+CC(C)(CCc1ccccc1)C(=O)NCC1CCCCC1,-1.5784738063812256
+Cc1ccc(N2CCC(NCc3cccc(C)c3)CC2)cc1,-1.303353190422058
+COc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1,-1.6223998069763184
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCCO1,-0.9321142435073853
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9666981101036072
+C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.25821852684021
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.14680814743042
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1203299760818481
+COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-1.13357412815094
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.121207356452942
+O=C(c1ncccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-0.9008479714393616
+O=C([O-])Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1,-1.1581069231033325
+CCCCNC(=O)c1ccc(NC(C)(C)C)cc1,-1.6328097581863403
+Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1,-1.1384481191635132
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.8046925663948059
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(N)c1,-1.1229168176651
+Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0789541006088257
+Cn1cc(N2CCC[C@H]2CNC(=O)C(C)(C)C)cn1,-1.1955116987228394
+Oc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3359299898147583
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0061825513839722
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.121049404144287
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2Cl)cc1,-1.2356328964233398
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.074623942375183
+C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)C1,-1.1365349292755127
+COc1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1,-1.5645554065704346
+C1CC(OCC2CC2)CCN1,-1.9349404573440552
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2O)CC1,-1.1363439559936523
+Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CCC[NH+](C)C3)C2)s1,-1.0466926097869873
+C[C@@H]1CCC[NH+](C[C@@H](C)NC(=O)Cc2ccc(Br)cc2)C1,-1.274416446685791
+Fc1ccc(-c2ccccc2NCc2ccc(Br)cc2)cc1,-1.0595701932907104
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-0.9567763805389404
+CN1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2963734865188599
+CC(CCN1CCC(O)CC1)NC(=O)Cc1ccccc1,-1.580255389213562
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1149227619171143
+Cc1cccc(C(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1C,-0.9932692050933838
+O=C(c1ccccc1O)N1CCC[C@@H](Cc2ccc(Cl)cc2)C1,-1.0488486289978027
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4313156604766846
+Cn1cc(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0332664251327515
+Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)no2)n1,-1.112313985824585
+O=C(NC1CCCCCC1)C1CCN(c2ccc(F)cc2)CC1,-1.1529357433319092
+O=C(Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1,-1.3542841672897339
+Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1,-1.3514336347579956
+O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6086976528167725
+O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1ccc(O)cc1,-1.0620602369308472
+Cc1ccc(C(=O)NC2(c3ccccc3)CCCC2=O)cc1,-1.5239554643630981
+O=C(Nc1ccc(O)cc1)c1ccc(N2CCOC2=O)cc1,-1.358810544013977
+O=C(NC[C@H]1C[C@@H]1C1CCOCC1)c1ccc(F)c(O)c1,-1.105172872543335
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(O)cc1,-1.400471568107605
+CCOc1cccc(NC(=O)N2CC[C@@H](O)C2)c1,-1.6489604711532593
+Cc1ccc(NCC2CCN(c3ccc(Br)cc3)CC2)nc1,-1.1324856281280518
+O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.3084849119186401
+Cc1ccc(O)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.208031177520752
+CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.6366119384765625
+Cc1ccc(OC2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.5333601236343384
+O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.2748106718063354
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1932426691055298
+C[C@H]1C[C@@H](NC(=O)Cc2ccccc2)CCN1c1ccccc1,-1.3757197856903076
+O=CNC[C@H](O)c1cccc(F)c1,-1.8151925802230835
+O=C(Nc1ncccc1F)C1CCN(c2ccc(I)cc2)CC1,-0.7184231877326965
+O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1309974193572998
+O=C(C[C@H]1CCCCO1)Nc1ccc(N2CCCC2=O)cc1,-1.5461503267288208
+O=C(c1ccc2cc[nH]c2c1)N1CC2(CCN(c3ccccc3)CC2)C1,-0.9671892523765564
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.200806736946106
+Cc1nnc(Nc2ccccc2Br)n1Cc1ccc(Cl)cc1,-0.6380687355995178
+O=C(Nc1ccc(F)cc1O)c1ccccc1N1CCOCC1,-1.1013069152832031
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1412322521209717
+COc1ccc(CNC(=O)N2CC[C@@H](O)C2)cc1,-1.6428567171096802
+N#Cc1cc(Br)ccc1NC(=O)NOCc1ccc(Cl)cc1,-1.0389747619628906
+Cc1ccc(CNC(=O)C[NH+]2CCC(C)(C)CC2)cc1Br,-1.1876285076141357
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9949405193328857
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.3518766164779663
+O=C(COc1ccccc1)NCc1ccccc1,-1.7918214797973633
+O=C(NCc1ccccc1)c1cccc(CCCO)c1,-1.624693512916565
+CCC(C)(C)C(=O)Nc1ccc(S[NH+]2CCOCC2)cc1,-1.5044656991958618
+COc1ccc(CNc2ccc(OC)c(N)c2)cc1,-1.569225788116455
+Cc1ccc(CC(=O)NCC2CCC(F)(F)CC2)c(F)c1,-1.0163692235946655
+CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)nc2)CC1,-0.8414590358734131
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4060794115066528
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0096243619918823
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.0384629964828491
+c1ccc(COc2ccc3nc(-c4ccccc4)ccc3c2)cc1,-1.1710155010223389
+Cc1ccc(CCNC(=O)Cc2ccc(Br)cc2F)cc1,-1.2314083576202393
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2742986679077148
+CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1,-1.1399271488189697
+O=C(Nc1ccccc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O,-1.1502230167388916
+Cc1nc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2o1,-1.1271848678588867
+C[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)CC1,-0.9758481979370117
+CCCCC(=O)NC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.409630537033081
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1304705142974854
+O=C(Nc1ccc(Cl)nc1)N1CCC([NH+]2CCCCCC2)CC1,-1.0250483751296997
+c1ccc(Cc2nc([C@@H]3CCCC[NH+]3c3ccccc3)no2)cc1,-1.2024520635604858
+O=C(NCc1ccc(Cl)c(O)c1)N1CCc2sccc2C1,-0.8590281009674072
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9495244026184082
+CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.227687120437622
+Fc1cccc(N2CCC[C@@H]([NH2+]Cc3cccc(Br)c3)C2)c1,-1.1767582893371582
+CCC(C)(C)C(=O)NCc1ccc(-c2ncnn2C)cc1,-1.0993750095367432
+COC1(C)CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1,-1.2710802555084229
+O=C(C1CCN(Cc2ccc(Br)cc2F)CC1)N1CCCCC1,-0.8128703236579895
+O=C(c1ncccc1O)N1CCC(Oc2ccc(F)cc2)CC1,-1.0785162448883057
+CCN(C)Cc1nc(-c2ccc(C(C)C)cc2)no1,-1.2311193943023682
+CC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C,-1.026444911956787
+CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2O)CC1,-0.9510438442230225
+O=S(=O)(c1sccc1Br)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.8202065229415894
+Cc1ccc2[nH]c(C(=O)NCc3ccc(Cl)cc3)cc2c1,-1.0373281240463257
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.0916192531585693
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5285231471061707
+c1ccc(CN2CCC(n3cnnc3-c3ccccc3)CC2)cc1,-1.3144174814224243
+C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(F)cc1F,-0.7751685976982117
+CCc1ccc(C(=O)N[C@H](C)[C@@H]2OCCc3ccccc32)cc1,-1.0876137018203735
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3696818351745605
+Cc1ccc(C)c(CSc2nnc(-c3ccc(Br)cc3)o2)c1,-0.791742205619812
+Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.24245285987854
+FC(F)(F)c1nc2ccccc2cc1NCc1ccccc1,-0.9095196723937988
+CC1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.4992303848266602
+Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)no1,-0.875088095664978
+O=C(Nc1ccc(Cl)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.7649744153022766
+O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(F)c1,-1.073373794555664
+Cc1nc(-c2ccc(NC(=O)c3ccn(C)n3)cc2)no1,-1.0987581014633179
+O=C(N[C@H]1CC12CCC2)N1CC[NH+](C2CCOCC2)CC1,-1.445725917816162
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.110266923904419
+O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.5308838486671448
+[NH3+][C@H](CC(=O)N[C@H]1CCO[C@H]1c1ccccc1)c1ccccc1,-1.485378623008728
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c1,-1.132550835609436
+O=C(Nc1ccc(Br)cc1)N1CCN(CC(F)(F)F)CC1,-1.0854277610778809
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3790444135665894
+Oc1cc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.1548985242843628
+O=C([C@H]1CCCCO1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9973453879356384
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5003033876419067
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.312309741973877
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495244026184082
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1826119422912598
+CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.555949091911316
+Cc1ccc(C(=O)NCC(=O)N2CCC(C)(C)C2)cc1,-1.4614548683166504
+Cc1nnc(SCc2ccc(Cl)cc2Cl)n1-c1ccccc1,-0.5619714856147766
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0627468824386597
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2380906343460083
+CN1CC[NH+](Cc2ccccc2)[C@H](Cc2ccc(Br)cc2)C1,-1.2706987857818604
+Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0556296110153198
+O=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.9095624089241028
+Cc1nc(CC(=O)Nc2nnc(-c3ccccc3)o2)cs1,-1.174494981765747
+CC(C)Cc1ccc(NC(=O)[C@H]2CCc3ccccc3[NH2+]2)cc1,-1.089982509613037
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.262100338935852
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)on1,-1.1343506574630737
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.109568476676941
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.012210488319397
+O=CNc1cccc(C(=O)NCc2ccccc2)c1,-1.696518898010254
+CC(C)([NH3+])CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.2718594074249268
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9921398758888245
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(C)c1,-1.1103734970092773
+c1ccc(COc2ccc(-c3ccc4ccccc4c3)cc2)cc1,-1.3052833080291748
+Cc1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2)cc1,-1.5895614624023438
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(F)c1,-1.375706434249878
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.020160436630249
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0760303735733032
+COc1ccc(C(=O)N2CCN(c3cccc(N)c3)CC2)cc1,-1.108498454093933
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1175764799118042
+COc1ccc([C@H]2C[C@@H](O)C[NH+]2Cc2ccc(Br)cc2)cc1,-1.175927758216858
+O=C(N[C@@H]1CC[NH+](C2CCOCC2)C1)c1cc2ccccc2o1,-1.2644214630126953
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8044012188911438
+C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC[C@@H](c2ccccc2)C1,-1.4637129306793213
+Nc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1F,-0.9252744913101196
+Fc1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1Br,-1.0406652688980103
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5060535669326782
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.0814893245697021
+O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.470413088798523
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3647832870483398
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.302131175994873
+O=C(c1ccccc1)N1CCC(Nc2ccc(F)cc2F)CC1,-0.9771339297294617
+Cc1cc(Br)ccc1NC(=O)c1cccc(N2CCCCC2)c1,-1.0078786611557007
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(=O)[nH]c1,-1.4835245609283447
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2640303373336792
+O=C(NCC1CCC2(CC1)OCCO2)c1ccc(F)cc1,-1.5461883544921875
+CCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.0619101524353027
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917269229888916
+Cc1c(O)cccc1C(=O)N1CCC(CC2CCOCC2)CC1,-1.0919010639190674
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375974416732788
+O=C(N[C@H]1CCCN(c2cccc(Br)c2)CC1)C1CCCCC1,-1.0758111476898193
+O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.4757635593414307
+O=C(c1ccc(Br)cc1O)N1CCN(Cc2ccccc2)CC1,-1.042020559310913
+Fc1cc(Cl)ccc1NCc1ccccc1,-1.6041803359985352
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536187887191772
+C[C@@H]1CN(Cc2ccc(Nc3ccccc3)cc2)C[C@@H](C)O1,-1.5165677070617676
+Cc1noc([C@H]2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)n1,-1.0052472352981567
+OC(=Nc1nccs1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1,-1.0365108251571655
+C[C@@H]1C[NH+](CC(=O)NCCc2ccccc2Br)C[C@H](C)O1,-1.324455976486206
+O=C(NCC1CCCCC1)Nc1ccc(I)cc1,-1.4748749732971191
+COc1ccc(CNS(=O)(=O)c2cnccc2C)cc1,-1.5308550596237183
+O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9502078890800476
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.527347981929779
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2992572784423828
+C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0450271368026733
+CC[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-0.9389480948448181
+CCc1ncccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-0.9378151297569275
+O=C(Nc1ncccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9307788610458374
+Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1,-1.0625784397125244
+C[NH+]1CCC(COc2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.4172037839889526
+Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1,-1.0044264793395996
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.457103967666626
+O=C([C@@H]1CCC2(CCCCCC2)C1)N1CCN(c2ccc(F)cc2)CC1,-0.9353343844413757
+O=C(N[C@H]1CCC(F)(F)C1)c1cc(-c2ccccc2)no1,-1.2388675212860107
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.294620156288147
+Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1,-1.2385913133621216
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692867040634155
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0041354894638062
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1O,-1.0968010425567627
+CC1(C)CCCCC(NCc2noc(-c3ccccc3)n2)C1,-1.3068946599960327
+CC(C)c1ccc(CC(=O)Nc2ccc(Cl)cc2Br)cc1,-0.9161713123321533
+C[NH+]1CCC(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)CC1,-1.5771503448486328
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6732637882232666
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0172498226165771
+Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.085969090461731
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2172276973724365
+Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.2480369806289673
+O=C(NCc1ccc(F)cc1)c1cc2ccc(O)cc2o1,-1.220103144645691
+O=C(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(F)cc2F)CC1,-0.42277371883392334
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-1.062534213066101
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-0.9961791038513184
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1,-0.9752662777900696
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1648753881454468
+C[C@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3497437238693237
+CCc1ccc(CC(=O)N2CCC(COC)CC2)cc1,-1.5594764947891235
+O=C(CN1CCCCC1=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.0254898071289062
+O=C(C1CC(F)(F)C1)N1CCN(Cc2ccccc2)CC1,-1.232549786567688
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccccc2F)C1,-0.9705449938774109
+C[C@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4873300790786743
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1899579763412476
+O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1509448289871216
+CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3674774169921875
+COc1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1,-1.5998139381408691
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@@H]2C)cn1,-1.0055081844329834
+CCNCC1CC1c1ccc(C(F)(F)F)cc1,-1.2081224918365479
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382877826690674
+O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2ccccc2)n[nH]1,-1.0602844953536987
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Br,-0.988267719745636
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0904462337493896
+CC(C)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1,-1.509059190750122
+Fc1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1895365715026855
+Cc1ccc(C2CC(NC(=O)c3ccc(Cl)cc3)C2)cc1,-1.1953538656234741
+CC(C)COc1cccc(CNC(C)(C)C)c1,-1.67672860622406
+O=C(NCc1ccc(O)cc1)N1CCC2(CCOCC2)C1,-1.576127529144287
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0277297496795654
+Cn1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0265222787857056
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.151533603668213
+O=C(N[C@@H]1CCCNC1=O)c1ccc(-c2ccccc2)cc1,-1.284645915031433
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.021264910697937
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1341575384140015
+CC(C)(N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1,-1.288495421409607
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(Cl)c2)no1,-1.1490596532821655
+COc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1,-1.5374388694763184
+O=C(N[C@H]1CCCC(=O)N1c1ccccc1)c1ccccc1,-1.3757493495941162
+CC(C)n1ccc(C(=O)NCc2ccccc2)n1,-1.5979493856430054
+O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4373074769973755
+C[NH+]1CCC2(CC1)CN(C(=O)NCc1cccs1)CCO2,-1.5436006784439087
+CC(=O)c1ccc(NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)cc1,-1.137083888053894
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1726170778274536
+CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1,-1.4111676216125488
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(F)c1,-0.9116209149360657
+O=C(CCc1ccc(Br)cc1)NCc1ccc(F)cc1F,-1.035750389099121
+CCc1cccc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1,-1.5880045890808105
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2045507431030273
+C[C@H]1CN(C(=O)NC2(O)CCCCC2)CCC1c1ccccc1,-1.3310158252716064
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br,-1.0778855085372925
+O=C(Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1=O,-1.4000563621520996
+O=C(Nc1ccc(I)cc1F)C1CCN(c2ccccc2)CC1,-0.8445447087287903
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Br)cc2)cc1,-1.0077961683273315
+CC(C)c1occc1C(=O)NCc1ccccc1,-1.6150299310684204
+CN1CCC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3F)n2)C1,-0.6493578553199768
+CN1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.2443208694458008
+Nc1ccc(OCC2CCOCC2)c(-c2ccccc2)c1Br,-1.2080094814300537
+O=C(Cc1cc2ccccc2o1)NCc1ccc(I)cc1,-1.2434465885162354
+NC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1,-1.1760839223861694
+c1ccc(CN2CCNCC2)cc1,-1.8703041076660156
+Cn1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9857427477836609
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9930969476699829
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1I,-0.9084193706512451
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.726617455482483
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.021200180053711
+CCOc1ccc(C(=O)NC2CCN(C)C2)cc1,-1.6277697086334229
+Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.506839394569397
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5367326736450195
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2086237668991089
+CC(=O)N[C@H]1CCCN(Cc2cccc3oc(C)nc23)C1,-1.0918689966201782
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0852835178375244
+Fc1ccc(Br)cc1-c1noc(COc2ccc(Cl)cc2)n1,-0.726189911365509
+CC(C)Cc1ccc(NS(=O)(=O)CN2CCCC2)cc1,-1.588195562362671
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.40670907497406
+Cc1ccc(-c2cc(=O)[nH]c(SCc3nccs3)n2)cc1,-0.9386715888977051
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125449895858765
+C[NH+]1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1,-1.2481698989868164
+Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-1.03537917137146
+C[C@@H]1CN(c2ccc(Br)cc2)CCN1C(=O)Nc1ccccc1,-0.9987948536872864
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.975872814655304
+CC(C)c1ccc(OCC(=O)N2CCCO[C@@H](C)C2)cc1,-1.515759825706482
+CCC1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-1.0120980739593506
+Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1,-1.0961130857467651
+CC1(C)CC[C@@H](CNC(=O)c2ccc(F)c(Br)c2)C1,-0.9633074998855591
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043300867080688
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1044725179672241
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0024363994598389
+C[C@H]1CN(C(=O)Nc2cccc(Br)c2)CCN1c1ccccc1,-0.9967721104621887
+O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1,-1.2868132591247559
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.294485330581665
+Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1036559343338013
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3756076097488403
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6113661527633667
+Fc1ccc(C[C@H]2CCCN(Cc3ccccc3)C2)cc1F,-1.205474853515625
+[NH2+]c1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0008083581924438
+Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)c1,-1.5682663917541504
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1O,-1.067397117614746
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.873740017414093
+Nc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.0287234783172607
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.025852084159851
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,-0.8276197910308838
+Cc1ccc(NCc2ccccc2N2CC[NH+](C)CC2)cc1,-1.3064533472061157
+O=C(NC1CC(c2cccc(Br)c2)C1)c1ccc(Cl)cc1,-0.9443968534469604
+Cc1cc(Cl)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-0.9261773824691772
+CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)nn2)CC1,-0.9272140264511108
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0906517505645752
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Br)cc2)C1,-1.1258413791656494
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5367283821105957
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9621370434761047
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1885279417037964
+O=C1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCCC2)C1,-1.5080993175506592
+CCCCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.4107489585876465
+O=C(NCC[NH+]1CCCC1)Nc1ccc(F)cc1,-1.6497269868850708
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1129478216171265
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.1182011365890503
+O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.4824925661087036
+Cc1cc(C(=O)NCc2csc(C)n2)c2ccccc2n1,-0.7376221418380737
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.2174276113510132
+Cc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1O,-1.239904522895813
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975715041160583
+O=C(c1ccc(Br)cc1)N1CCC(n2[nH]c(=O)c3ccccc32)CC1,-0.5814600586891174
+Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.4977858066558838
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.023780107498169
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.103568434715271
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9617087841033936
+C[C@@H]1OCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C,-1.2425192594528198
+Cc1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1003997325897217
+O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ccccc2)CC1,-1.015854835510254
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC12CCOCC2,-1.3495450019836426
+c1ccc(COc2cc3ccccc3nc2-c2ccccc2)cc1,-1.1345478296279907
+CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.1986263990402222
+CC1(C)CN(C(=O)c2ccc(F)cc2)CC[C@@H]1c1ccc(F)cc1,-0.738254189491272
+Cc1cc(CNC(=O)c2cc3ccccc3o2)ccc1F,-1.1343176364898682
+O=C(NCCCc1ccc(Br)cc1)[C@@H]1COc2ccccc2O1,-1.2620905637741089
+O=C(Nc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1,-0.8612598180770874
+CC(C)(C)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1,-0.8644264340400696
+Cc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)s2)cc1,-0.8219114542007446
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.029855728149414
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.029227614402771
+Cn1cc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)cn1,-1.3972406387329102
+Oc1ccc(-c2ccc(O)cc2OCc2ccccc2)cc1,-1.4566388130187988
+O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.5032544136047363
+Oc1cc(COc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-1.0871678590774536
+Cc1cc(F)ccc1N1CCC(NC(=O)[C@H]2CCCCO2)CC1,-1.1448066234588623
+O=C(NCc1ccc(Br)cc1)NC1CCCCC1,-1.5833749771118164
+CC(C(O)=Nc1nnc(O)s1)c1ccc(C(=O)N2CCCCC2)cc1,-0.7667841911315918
+O=C(N[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl,-0.9168974757194519
+Cn1cc(NC(=O)c2cc(-c3cccc(F)c3)[nH]n2)cn1,-1.0057880878448486
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2o1,-1.0441454648971558
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2714574337005615
+O=C(NCc1ccc(I)cc1)Nc1ncccn1,-1.457581877708435
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1830881834030151
+O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0764119625091553
+Cc1nc(NCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-1.032064437866211
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160456657409668
+O=C(Cc1cccc(O)c1)NC1CC(c2ccccc2)C1,-1.5296406745910645
+C[C@@H]1COCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.4381351470947266
+COc1ccc(CN2CCN(C(=O)C(C)(C)N)CC2)cc1,-1.2741106748580933
+Cc1cnc2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cccc2c1,-0.45461219549179077
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0306556224822998
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccc(F)cc2)CC1,-0.936192512512207
+C[NH+]1CCCN(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC1,-1.2216747999191284
+Cc1cc(CNC(=O)c2ccc3[nH]ncc3c2)ccc1F,-0.9581543803215027
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C[C@H]1O)c1ccccc1,-1.27096688747406
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400207996368408
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O,-1.3307684659957886
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.4399645328521729
+Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)s1,-1.003591775894165
+C[C@@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C1,-0.9820020198822021
+CC(C)c1nc(C[NH+]2CCC[C@H](c3ccc(Br)cc3)C2)no1,-0.9286639094352722
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.190128207206726
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.038318395614624
+O=C(Nc1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.2357261180877686
+Nc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.3678951263427734
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3926303386688232
+O=C(N[C@H]1CCCC[C@@H]1C1CCCCC1)c1ccc(O)cc1O,-1.0506266355514526
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885608911514282
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2o1,-0.955232560634613
+O=C(CC1CCc2cc(F)ccc21)N1CCN(Cc2ccccc2)CC1,-0.9479336142539978
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1393705606460571
+CCC(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.0863443613052368
+CCc1cc(C(=O)NCc2ccc(O)cc2)n[nH]1,-1.634595274925232
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2992607355117798
+O=C(Nc1ccc(F)cc1F)c1ccccc1N1CCOCC1,-0.9607604146003723
+O=C(CC[NH+]1CCOCC1)Nc1ccc(N2CCOCC2)cc1,-1.5834790468215942
+Cn1cc(CCNC(=O)N2CCC3(CCCC3)CC2)cn1,-1.5151203870773315
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8121773600578308
+Cc1cc(C(=O)Nc2ccc(-c3noc(C)n3)cc2)no1,-1.1613867282867432
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503439664840698
+Cc1cccc(N2CC[C@@H](NC(=O)c3ccc(C)o3)C2)c1,-1.3258771896362305
+Cc1cc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2o1,-1.2020481824874878
+Nc1cc(Br)cc(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0047537088394165
+O=C(CCCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1,-1.3168957233428955
+O=C(Cc1cccc(Br)c1)N[C@H]1CC[C@H]1[NH+]1CCOCC1,-1.3368974924087524
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0402940511703491
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975762724876404
+Cc1nc(C(=O)Nc2cnn(-c3ccc(Br)cc3)c2)cs1,-0.9282828569412231
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8621801733970642
+O=C(Cc1ccncc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3101414442062378
+Cc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.4480234384536743
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.098564624786377
+Cc1nc(NC(=O)N(C)Cc2ccccc2)cs1,-1.5541696548461914
+CCOC(=O)[C@H]1CCN(Cc2cccc(Br)c2)C1,-1.568118929862976
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1-c1ccccc1,-1.059097409248352
+O=C(Nc1ccc(O)cc1)N1CCC(CC(F)(F)F)CC1,-1.137372612953186
+C[C@H]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCCCC3)C2)C1,-1.5399491786956787
+C[C@H](C(=O)NCCC1CCCC1)[NH+]1CC[S+]([O-])[C@H](C)C1,-1.2225700616836548
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1956313848495483
+CCC(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1,-1.3086117506027222
+Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)c1,-1.012041449546814
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.1466261148452759
+O=C(O)CNC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.5282180309295654
+Oc1cccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)c1,-1.2659515142440796
+O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H](F)C1,-1.222973346710205
+CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043944597244263
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cn1,-1.4554054737091064
+O=C(C1CCCCCC1)N1CCC(Cc2ccc(F)cc2)CC1,-1.2139087915420532
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1415170431137085
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0077399015426636
+CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9651296734809875
+CCc1cccc(NC(=O)N2CCO[C@H](C3CCOCC3)C2)c1,-1.4841148853302002
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2648377418518066
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.103731632232666
+Cc1cc(F)ccc1NCc1noc(-c2ccc(Cl)cc2)n1,-0.7844668626785278
+O=C(Nc1ncccc1-c1ccccc1)N1CC[S+]([O-])CC1,-1.1736259460449219
+O=C(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1,-0.969577431678772
+O=C(N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccncc1F,-0.866862952709198
+O=C(Nc1ccc(Br)cc1)C1(c2ccc(F)cc2)CCC1,-1.2615406513214111
+FC(F)(F)c1nc(CN2CCN(c3ccccc3)CC2)cs1,-0.9223779439926147
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.2502496242523193
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2s1,-0.8853921890258789
+C[C@@H](Cc1ccccc1)NC(=O)N1CC2(CCCCC2)C1,-1.6206998825073242
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1724951267242432
+O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8833622336387634
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.376109004020691
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2681342363357544
+Cc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)ccc1Br,-1.148133397102356
+C[C@H](Cc1ccc(F)cc1F)NC(=O)c1ccc(F)cc1,-0.9599610567092896
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9086604714393616
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.273120641708374
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8254919648170471
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.866994321346283
+C[C@H]1CCCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1,-1.0471316576004028
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.8868997693061829
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.977746844291687
+CCNC(=O)CNC(=O)c1ccc(F)cc1F,-1.510307788848877
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9894170165061951
+C[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCCC[C@@H]1C,-1.3737856149673462
+O=C(CN1CCCC1)Nc1ccc(N2CCCCC2=O)cc1,-1.3794524669647217
+O=C(NCc1ccc(Cl)cc1)C1=C(O)C(=O)c2ccccc21,-0.8766794800758362
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2C)cc1,-1.4508463144302368
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4573613405227661
+Cc1ccc(CNc2ccc(C)cc2-c2ccccc2)cc1,-1.3109509944915771
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0237090587615967
+Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@H](C)C1,-1.1068050861358643
+Cc1cnc(F)cc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.8409168124198914
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(O)c1,-1.1442805528640747
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044080257415771
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1,-1.0701768398284912
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9644562602043152
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3O)cc2)cc1,-1.190862774848938
+Oc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.4656472206115723
+Cc1cccc(CNC(=O)c2ccc3nc(C)sc3c2)c1,-0.9325138926506042
+O=C(NC1CC(c2ccc(F)cc2)C1)c1cccc(F)c1,-1.106472373008728
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.086485505104065
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cn1,-1.2706873416900635
+Cn1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)n1,-1.0748372077941895
+O=C([O-])c1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1,-1.121816635131836
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0583577156066895
+O=C(Nc1ccc(O)cc1)C(=O)Nc1cccc(O)c1,-1.5636545419692993
+O=C(N[C@H]1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1O,-1.1694658994674683
+Cn1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(F)c2)n1,-1.1529357433319092
+Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.0168452262878418
+CC1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1,-1.4858169555664062
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3434773683547974
+CC(C)C(C)(NC(=O)c1ccc(Br)cc1)c1ccccc1,-1.1352261304855347
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C)cc1,-1.1541944742202759
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.2733030319213867
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0771960020065308
+Cn1cc(CC(=O)NCc2cccc3ccccc23)cn1,-1.436275839805603
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(O)cc1Cl,-0.9571475982666016
+Cn1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cn1,-1.0780597925186157
+C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0071429014205933
+O=C(N[C@H]1CCCC[C@@H]1O)C1CCN(c2ccc(F)cc2)CC1,-1.0171937942504883
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.070012092590332
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.2116246223449707
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9719748497009277
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617053866386414
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3N)cc2)cc1,-1.2351449728012085
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9351070523262024
+Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2755162715911865
+Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-1.037394642829895
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.893174946308136
+CCOc1ccc(C(=O)NC2(C)CCOC2)cc1,-1.683027982711792
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)CC1,-1.2351722717285156
+c1ccc(CN2CCN3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1,-1.3959674835205078
+Cc1nc2ccc(CNC(=O)N3CCC[C@H](O)C3)cc2s1,-0.941153883934021
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2526259422302246
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0652263164520264
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1744942665100098
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,-0.9394376873970032
+O=C(Nc1nc(-c2ccccc2)cs1)N1CC[NH+]2CCC[C@@H]2C1,-0.9024907946586609
+Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1Br,-0.9813359975814819
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1062437295913696
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)nc1,-1.1837775707244873
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Cl,-0.9709317684173584
+CCCNC(=O)c1ccc(N2CCCC3(CCSCC3)C2)cc1,-1.2917083501815796
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2469371557235718
+O=C(NCC1CCCCC1)N1CC[C@H](O)C2(CCCC2)C1,-1.527435541152954
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166071891784668
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1565653085708618
+Cc1ccc(C2(C(=O)Nc3ccc(O)cc3)CC2)c(C)c1,-1.1771271228790283
+Cc1nc(-c2ccccc2)ccc1NC(=O)c1ccc(Br)cc1,-0.9547845125198364
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.026953935623169
+C[NH+]1CCN(c2ccc(OCc3ccc(I)cc3)cc2)CC1,-1.2236111164093018
+Cc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C)c2)[nH]1,-0.8636429309844971
+CC(C)(O)CC(=O)N1CCC(NCc2ccccc2)CC1,-1.5694502592086792
+Cc1nnc(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)o1,-0.8163752555847168
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9632132649421692
+COc1cccc(CNC(=O)c2cc(Br)cs2)c1,-1.4670385122299194
+c1ccc(CNC2CC(Cc3ccccc3)C2)cc1,-1.6690969467163086
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0838004350662231
+[NH3+]c1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.215790033340454
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4435710906982422
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0972861051559448
+Nc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4333360195159912
+C[C@H]1CN(C(=O)NCC2CC3(CCCCC3)C2)CCCO1,-1.5616326332092285
+O=C1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4338947534561157
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.793303370475769
+O=C(Nc1cccc(F)c1)N1CCCN(c2ccccc2)CC1,-1.4327343702316284
+Cc1noc(CN2CCN(C(=O)c3ccc(C)o3)CC2)n1,-1.1772326231002808
+Cc1ccc(NC(=O)C(=O)Nc2ccc(O)cc2)cc1,-1.559929370880127
+Cc1nnc(-c2ccc(C(=O)N[C@@H]3CC34CCC4)cc2)o1,-1.1464190483093262
+CC[NH+]1CCC(NC(=O)Nc2nnc(C)s2)CC1,-1.193668246269226
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1383002996444702
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Br,-1.148775577545166
+Cc1ccc(CNC(=O)NC2CCCCC2)cc1,-1.6624869108200073
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9577609896659851
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5485453605651855
+CCc1cccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,-1.1500722169876099
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1321775913238525
+Fc1cc(OCc2ccc(-c3ccccc3)cc2)ccc1Br,-1.1401457786560059
+CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.431376576423645
+Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0471500158309937
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCNCC2)cc1,-0.9736660718917847
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312151908874512
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.974795401096344
+c1ccc(Oc2ccccc2-c2nc(-c3ccccc3)no2)cc1,-1.265864372253418
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1564860343933105
+O=C(Nc1ccccc1S)N1CCN(c2ccc(Br)cc2)CC1,-0.9053143858909607
+Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(F)c1,-1.0898196697235107
+COc1ccc(CNC(=O)c2ccc(C)cc2)s1,-1.5802369117736816
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.18447744846344
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cn1,-1.1081600189208984
+Nc1ccccc1C(=O)Nc1ccc(Cl)cc1,-1.4634324312210083
+C[C@@H]1C[NH+](CC(=O)N2CCC(c3ccc(Cl)cc3)CC2)C[C@H](C)O1,-0.935667872428894
+Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)c(Cl)c1,-0.8197906613349915
+CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1=O,-1.112363576889038
+Fc1ccc(-c2ccc(CNc3ccc(Br)cc3)cn2)cc1,-1.0341646671295166
+O=C1CN(C(=O)C2CCCCC2)CCN1Cc1ccccc1,-1.3848233222961426
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.1690051555633545
+O=C(Cc1ccccc1)N1CCC(CN2CCOC2=O)CC1,-1.5066263675689697
+Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ncccc12,-0.3989938497543335
+O=C(N[C@H]1CCC[C@H]1c1ccc(Cl)cc1)[C@H]1CC[C@H](F)C1,-0.9908834099769592
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.298892617225647
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1851894855499268
+[NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.0318275690078735
+Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3522425889968872
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3075664043426514
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1,-0.9556353092193604
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCOCC1,-1.0635656118392944
+CCc1cc(C(=O)NCc2ccc(Br)cc2)on1,-1.5395244359970093
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.3961660861968994
+O=C(O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-1.444513201713562
+Cc1ccccc1N1CCN(C(=O)Nc2cccc(Br)c2)CC1,-0.9678857922554016
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4856714010238647
+CCOc1ccccc1C(=O)N[C@H]1CC[C@@H]([NH3+])C1,-1.603813648223877
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9626036286354065
+c1ccc2oc(C[NH+]3CCCN(CC4CCCCC4)CC3)nc2c1,-1.3723784685134888
+Clc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1,-0.8402143716812134
+Cc1cc(O)ccc1CNC(=O)CCc1ccc(F)cc1,-1.501639723777771
+O=C(NC1CN(c2ccc(F)cc2)C1)c1cccc(F)c1,-1.1140269041061401
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.4805161952972412
+Nc1ccccc1N1CCN(C(=O)CNc2ccccc2)CC1,-1.2733688354492188
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2008672952651978
+O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1,-1.466438889503479
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cn1,-0.9396101832389832
+C[C@H]1Cc2cc(CCNC(=O)C3CCOCC3)ccc2O1,-1.462369680404663
+Nc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.2925386428833008
+C[C@H]1CCCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1,-1.2331664562225342
+CCc1ncc(C(=O)NCc2ccc(N)cc2)s1,-1.2733454704284668
+Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2o1,-1.1066619157791138
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.3272708654403687
+NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-0.8588106632232666
+NC(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1,-0.991658091545105
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0602399110794067
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0226587057113647
+Cc1ccc(CNC(=O)N2CCC3(CCCO3)CC2)cn1,-1.5304436683654785
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.0921214818954468
+Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1534593105316162
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCOCC2)C1,-1.6661415100097656
+Cc1ccc(C[NH+]2CCN(c3ccc(F)c(C#N)c3)CC2)cc1Br,-0.568594217300415
+Cc1c(Cl)ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1O,-0.41826343536376953
+O=C(c1ccccc1)N1CCO[C@@]2(CCCN(c3ccc(F)cc3)C2)C1,-1.1566076278686523
+Cn1cc(CCNC(=O)N2CCC3(CCCC3)CC2)cn1,-1.439067006111145
+CS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(Cl)c(Br)c2)C1,-0.9173237085342407
+CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0393537282943726
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1874449253082275
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1,-0.9686967134475708
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.0988441705703735
+Cc1ccc(OCc2ccccc2)cc1,-1.7999186515808105
+Cc1cc(O)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.1380457878112793
+CC(C)(C)C(=O)Nc1ccc(OCC(N)=O)cc1,-1.6161212921142578
+Cc1ccc(C(=O)N2CCC(NCC(F)(F)F)CC2)cc1,-1.0229228734970093
+C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCN1c1ccccc1,-1.0906182527542114
+C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.046186089515686
+O=C(c1cccc(Br)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.8564910888671875
+O=C(NCc1ccc(F)c(F)c1)c1cncc2[nH]ccc12,-0.861738920211792
+Cc1nc(CC(=O)N2CCN(c3cc(F)c(F)cc3F)CC2)no1,-0.44275379180908203
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc2nc[nH]c2n1,-0.8916044235229492
+CC(c1cccc(F)c1)N1CCN(C(=O)c2ccccc2)CC1,-1.077254056930542
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0385485887527466
+CC(C)(O)CCNC(=O)c1coc(-c2ccc(F)cc2)n1,-1.4864825010299683
+CC(C)(C)NC(=O)C1CCN(c2ccc(F)cc2F)CC1,-0.9049420952796936
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2627875804901123
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1,-1.1089726686477661
+CC(C)C(C)(F)C(=O)NCCOc1ccc(Br)cc1,-1.3512604236602783
+O=C([C@@H]1CCC(=O)N1c1ccc(F)cc1)N1CCCc2ccccc21,-0.6422930359840393
+Cc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1650140285491943
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.1822737455368042
+C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.1548728942871094
+O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1F,-0.9858256578445435
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.114864706993103
+Cc1cccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)c1,-1.214712142944336
+OC(=NC1CCCCC1)Nc1ccc(OCC2CCCO2)cc1,-1.5243175029754639
+O=C(NCC1CCCC1)c1ccc(C2CC2)cc1,-1.6444087028503418
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9459841251373291
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495149850845337
+CC[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1,-1.572778344154358
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.9098957180976868
+Cn1cc(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cn1,-1.1211179494857788
+CCc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0253658294677734
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1475598812103271
+Fc1ccc(N2CC[NH+](Cc3nnnn3C3CC3)CC2)cc1,-0.7923920750617981
+CC(C)(C)CC(=O)N1CCN(CC(O)=NCCc2ccccc2)CC1,-1.3716225624084473
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8751669526100159
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.3424288034439087
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.068677544593811
+Cc1cnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)s1,-0.9365207552909851
+O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)OC2,-1.5719735622406006
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9953115582466125
+N#Cc1ccc(NC=O)cc1,-1.923722743988037
+Clc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1034961938858032
+O=C(c1ccc(O)cc1)N1CCC(Oc2ccccc2Cl)CC1,-1.1149643659591675
+CC(O)=Nc1cccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1,-0.8818895220756531
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.026556372642517
+Cc1ccc(N2CCC(C(=O)N(C)C3CCCCC3)CC2)cc1,-1.0452665090560913
+Cc1ccc2c(c1)C[C@H](NC(=O)C(=O)c1ccccc1)CC2,-1.1139891147613525
+Cc1noc(-c2ccc(NC(=O)CC3CCCC3)cc2)n1,-1.304776906967163
+Cc1ccc(CCNC(=O)NC2CCCC2)cc1,-1.6657516956329346
+CC(C)(O)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6672462224960327
+Cc1cccc(NC(=O)NCc2ccccc2)n1,-1.6450037956237793
+Cc1nc(CNC(=O)c2cc3ccccc3nc2C)cs1,-0.7181439995765686
+O=C(c1ccc2cc(O)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.5541547536849976
+CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1,-1.526504397392273
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)C(C)(C)C)CC2)cc1,-0.8852363228797913
+O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7844480276107788
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9573005437850952
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3Br)cc2)cc1,-1.1218949556350708
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1299943923950195
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9924441576004028
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2o1,-1.3261195421218872
+O=C(c1ccccn1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.8516791462898254
+Cc1cc(C[NH+]2CC[C@H](CC3CC4(CCC4)C3)C2)on1,-1.555059790611267
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.1159296035766602
+c1ccc(-c2ccccc2CN2CCN(c3nccs3)CC2)cc1,-1.1314777135849
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5130623579025269
+Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C)on2)cc1,-1.2317736148834229
+COc1ccc(NC(=O)N2CCCC3(CCCCCC3)C2)cc1,-1.4951012134552002
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1893703937530518
+CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1176546812057495
+O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1,-1.5497817993164062
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2192363739013672
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125258445739746
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9617103934288025
+CC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(I)cc2)CC1,-1.1422542333602905
+O=C(c1ccccc1O)N1CCC(Cc2ccc(F)cc2)CC1,-1.2156399488449097
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2029097080230713
+Cc1cc([NH3+])ccc1C[NH+]1CC[C@@H](CC(=O)N2CCCCC2)C1,-1.1843466758728027
+C[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1380771398544312
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(F)ccc4n3)CC2)cc1,-0.5975591540336609
+C[NH+]1CCC(C(=O)N[C@H]2CCCN(CC(C)(C)[NH3+])C2)CC1,-1.2397149801254272
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.066009521484375
+OC(CN1CCN(c2ccc(Cl)cc2)CC1)=NCCc1ccc(F)cc1,-0.9168329834938049
+O=C(C[S+]([O-])c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.1563833951950073
+CCOc1cccc(NC(=O)c2cc(Cl)on2)c1,-1.514156460762024
+CCc1ccc(COC(=O)c2ccc(C)o2)cc1,-1.6452208757400513
+Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1,-1.286534070968628
+Brc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9913756847381592
+Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8985917568206787
+O=C(c1ccc(F)cc1)N1CCN(C2CCCc3ccccc3C2)CC1,-0.694053053855896
+O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.8029068112373352
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3666819334030151
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.1108248233795166
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC2(CC2)C1,-1.0677114725112915
+O=C(C[NH+]1CCCC[C@H]1c1ccccc1)Nc1ccccc1F,-1.2348991632461548
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0663511753082275
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.49239641427993774
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987514019012451
+c1ccc(CNc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.0603429079055786
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9959659576416016
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741572737693787
+Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.2129541635513306
+Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.8664581179618835
+O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1,-1.5249539613723755
+O=C(NCc1ccccc1)N[C@H]1CC12CCCC2,-1.6822689771652222
+C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9745667576789856
+c1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0276678800582886
+C[C@@H](CC(=O)NC[C@@H]1CCOC(C)(C)C1)c1ccccc1,-1.577551007270813
+Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7067961692810059
+COc1ccc(Cc2noc(-c3ccc(F)c(F)c3)n2)cc1,-0.9339748620986938
+Cc1cccc(C2CC(NC(=O)c3ccc(O)cc3)C2)c1,-1.2912240028381348
+CC(C)(C)C[NH+]1CCN(C(=O)N[C@@H]2CC23CCCC3)CC1,-1.3592969179153442
+Cc1ccc(CCC(O)=NC(C)c2cccc(C(F)(F)F)c2)cc1,-1.0357195138931274
+C[C@@H]1CN(C(=O)c2ccc(F)c3cccnc23)CCN1c1ccccc1,-0.5346404314041138
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1,-1.039599895477295
+O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2s1,-1.0285007953643799
+CC(C)(O)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.5755057334899902
+O=C(c1cc2ccccc2o1)N1CC[NH+](C[C@@H]2CCOC2)CC1,-1.2724441289901733
+C[NH+]1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)C1,-1.0167477130889893
+Fc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1,-1.1653558015823364
+O=C(N[C@@H]1CC[C@@H](O)C1)c1csc(-c2ccc(Br)cc2)n1,-0.922913670539856
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.964931845664978
+Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-1.0683456659317017
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.0560873746871948
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.1209620237350464
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1964269876480103
+Cc1nsc(N2CC[C@H](C(=O)Nc3ccc(F)cc3)C2)n1,-0.9223285913467407
+CN1CCN(c2ccccc2NCc2ccc(F)cc2)CC1,-1.1904386281967163
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC12CC[NH2+]CC2,-1.3832703828811646
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)nc1,-0.7240408658981323
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F,-1.2730900049209595
+c1ccc(-c2ncc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.4814902544021606
+O=C(c1ncccc1Cl)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.7664309740066528
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5251697301864624
+Cc1ccc(NC(=O)NCC2CCCCC2)cn1,-1.622974157333374
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(N)cc4)CC3)ccc2c1,-0.5545328259468079
+O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1822799444198608
+Cc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0982528924942017
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1697542667388916
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1n[nH]c2c1CCCC2,-0.8688647150993347
+Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)cc1,-1.5390148162841797
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9261852502822876
+Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2c2ccc(O)cc2)c[nH+]1,-1.182735562324524
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2530977725982666
+Cc1ccccc1NC(=O)c1ccc(N2CCC(O)CC2)cc1,-1.166844129562378
+O=C(N[C@H]1CC[C@H](F)C1)N1CC[C@H](c2ccc(F)cc2)C1,-1.0116488933563232
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1814978122711182
+C[C@@H]1CCN(Cc2ccc(Oc3ccccc3)cc2)C[C@H]1C,-1.435563325881958
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.1672197580337524
+CC1=C(Cn2cc(C(=O)NC3CCCCC3)cn2)C[NH2+]CC1,-1.1181658506393433
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0365067720413208
+O=C(Cc1ccc2c(c1)CCO2)NCc1ccc(F)cc1,-1.3518130779266357
+Cc1ccccc1NC(=O)c1ccc(N2CCN(C)CC2)cc1,-1.1239030361175537
+Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2)c(F)c1,-1.2350019216537476
+Cc1nnc(NC(=O)C[NH+]2CCN(C3CCCC3)CC2)s1,-0.9765298962593079
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.282359004020691
+CCNC(=O)C1CCN(C(=O)c2ccccc2)CC1,-1.5681978464126587
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4215258359909058
+O=C(Nc1ccccc1-c1ccccc1)c1cc(O)ccc1F,-1.0475436449050903
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0746781826019287
+Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1,-0.9522634148597717
+c1ccccc1,-2.216959238052368
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1789343357086182
+Cc1ccc(OCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.4339892864227295
+O=C(CCCc1ccc(O)cc1)NCc1ccc(F)cc1,-1.5420360565185547
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.013193964958191
+O=C([C@H]1CCCCO1)N1CCC[C@@H](Oc2ccc(Cl)cc2Cl)C1,-0.9267441034317017
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)no1,-0.9821537733078003
+O=C(NCc1ccccc1)c1cn[nH]c1C1CC1,-1.5645866394042969
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2o1,-1.1135810613632202
+CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-0.898228108882904
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4669973850250244
+CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,-1.2031569480895996
+Cc1ccc(CNC(=O)CCc2ccc(Br)cc2F)cc1,-1.2061457633972168
+Cc1ccccc1N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1,-1.0487339496612549
+Cc1ccc(CN2CCC(Nc3ccc(C)cn3)CC2)cc1,-1.2781684398651123
+Cc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1Cl,-0.9007021188735962
+C[NH+]1CCN(c2ccc(NC(=O)c3ccncc3F)cc2)CC1,-0.9377212524414062
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.2203987836837769
+CC1CN(CCNC(=O)c2ccc(Br)cc2F)CC(C)O1,-0.919492781162262
+O=C(c1ccc(O)cc1)N1CCCN(Cc2ccccc2)CC1,-1.5178087949752808
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.044836163520813
+CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1,-1.485084891319275
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.1167640686035156
+Nc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cn1,-1.085344672203064
+Cc1ccc(C(=O)NCc2ccc3nc(C)sc3c2)cc1,-0.9352568984031677
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6386711597442627
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.0377753973007202
+CC(C)[NH+]1CCN(C(=O)[C@H](C)Nc2ccc(Cl)cc2)CC1,-0.9915874600410461
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2379603385925293
+CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1,-1.0826668739318848
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3772690296173096
+CCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1,-1.5868571996688843
+O=C(Cc1ccc(O)cc1)Nc1ccc(C(=O)O)cc1,-1.559711217880249
+N#Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)cc1,-1.2365293502807617
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.2033047676086426
+O=C(Nc1ccc2c(c1)OCCCO2)N1CCC(C2CCOCC2)CC1,-1.1764942407608032
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.187013864517212
+O=C(Nc1cc(Br)ccc1F)N1CCO[C@@H](c2ccccc2)C1,-1.0277208089828491
+C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCCO1,-1.431181788444519
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9687116742134094
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.0688039064407349
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1,-0.9223547577857971
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.180586576461792
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4776729345321655
+O=C(CCSc1nnc(-c2ccc(F)cc2)o1)N1CCOCC1,-1.1311033964157104
+Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2o1,-1.1952686309814453
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2[nH]1,-0.9088271260261536
+C[C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2)CC[NH+]1C,-1.1248193979263306
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.1251107454299927
+NC(=O)c1ccc(C(F)(F)F)cc1,-1.6824537515640259
+CC(C)(O)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.5764950513839722
+Cc1nnc(NCC(O)=NCCOc2ccc(Br)cc2)s1,-1.0870182514190674
+O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.4957854747772217
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1719461679458618
+O=C(c1cc2ccccc2o1)N1CCC[C@H]1Cc1ccccc1,-1.2132899761199951
+C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc3c(c2)OCO3)C1,-0.9232272505760193
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1876057386398315
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1,-1.1531723737716675
+Cc1cnccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9529063105583191
+CCc1nn(C)cc1CNC(=O)c1ccccn1,-1.3426254987716675
+O=C(Nc1ccc(-c2ccccn2)cc1)C(O)c1ccccc1,-1.3594639301300049
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2194395065307617
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCC[NH+]3C)CC2)cc1,-1.1439803838729858
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599882960319519
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948174357414246
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.301574468612671
+O=C(Nc1nc2ccc(N3CCCC3)cc2s1)c1ccccc1,-0.9207150340080261
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2746690511703491
+NC1CCCCN(Cc2ccccc2)C1,-1.7542829513549805
+O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1,-0.8898813128471375
+Cc1cccnc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9073513150215149
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)nc1,-1.23575758934021
+Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1C,-1.0660632848739624
+Nc1ccc(CNC(=O)CCc2ccc(F)cc2)c(Cl)c1,-1.0648900270462036
+Brc1ccc(-c2cc(NCc3cccc(Br)c3)ncn2)cc1,-0.8292909264564514
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352216839790344
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9669556617736816
+Fc1cc(CNC2CCOCC2)c(-c2ccccc2)cc1F,-1.0625007152557373
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Br)cn1,-1.0608378648757935
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1n[nH]c2ccccc12,-1.080556035041809
+C[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1,-1.2767014503479004
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3012319803237915
+C[NH+]1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1,-1.4673086404800415
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.1167398691177368
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4237847328186035
+O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9553002119064331
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033759117126465
+O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.019504427909851
+O=C(Nc1ccc(-c2ccc(Cl)cc2)nc1)c1ccccc1O,-0.9786982536315918
+Cc1cccc(NC(=O)NCc2ccccn2)c1,-1.6969813108444214
+OCCCN(Cc1ccc(Br)cc1)CC1CCCO1,-1.5631533861160278
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1396520137786865
+Cc1ncc(C(=O)N2CC[C@](C)(Cc3ccccc3)C2)[nH]1,-1.353312611579895
+Cc1ccc(OCC(=O)N2CCOCC3(CC[NH2+]CC3)C2)cc1C,-1.4004684686660767
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH+]c2ccccn12,-0.9477747082710266
+Cc1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2)c(F)c1,-1.1029303073883057
+CC1(C)CC[C@H](NC(=O)c2ccc(-c3ccccc3)o2)C1,-1.5164023637771606
+CC1(F)CC[NH+](CC(=O)NCc2ccc(F)cc2)C1,-1.5549319982528687
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1O,-1.069426417350769
+Clc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0328290462493896
+Cc1cccc(CN2CCC(O)(Oc3ccccc3)CC2)c1,-1.581364393234253
+Cc1ccc(CCC(=O)NC2CC[NH+](C(C)C)CC2)cc1,-1.400193214416504
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0325582027435303
+Cc1cccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)c1,-1.212373971939087
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1,-0.9697878360748291
+O=C(c1ccc2ccc(F)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5787111520767212
+Cc1ccc(-n2ccc(NC(=O)c3oncc3C)n2)cc1,-1.170196533203125
+Cc1ccc(CNC(=O)c2cc3c(cc2N)CCC3)cc1,-0.9968585968017578
+OC(COc1ccc(-c2nn[nH]n2)cc1)=NCc1ccccc1,-1.4664523601531982
+O=C(c1ccc(O)cc1)N1CCC[C@H](NCC(F)(F)F)C1,-1.0736433267593384
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1575983762741089
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138285756111145
+Cc1ccncc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9393394589424133
+Fc1ccc(OCc2noc(-c3ccccc3F)n2)cc1F,-0.8620001077651978
+Cc1ccc(-c2ccc(CNc3ccc(Br)cc3)cc2)cc1,-1.2044519186019897
+Cc1cccc(N2CCC(NCc3ccc(F)cc3)CC2)c1,-1.219902515411377
+C[NH+]1CCC[C@H]([NH+]2CCN(C(=O)NC3CCCCCC3)CC2)C1,-1.2537841796875
+Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C)C3)cc2)no1,-1.1305638551712036
+O=C1CCCCC1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.150902509689331
+CC(C)C(C)(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1,-1.3003298044204712
+Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.056475281715393
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043317556381226
+C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2817686796188354
+COc1cccc(NC(=O)N[C@H]2CC23CCC3)c1,-1.6372913122177124
+C[NH+]1CCN(c2ccc(CC(=O)NC(C)(C)C)cc2)CC1,-1.3521020412445068
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.997772216796875
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5273131132125854
+Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2[nH]1,-0.9518318772315979
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.4293265342712402
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)CCCO2,-1.1598565578460693
+Cc1nc2cc(Br)cc(C(=O)NCc3ccccc3)c2[nH]1,-0.7411162257194519
+CC1CCN(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)CC1,-1.5448369979858398
+C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1,-1.536322832107544
+Cc1ccc(OCCC(=O)Nc2cccc(O)c2)c(C)c1,-1.5167620182037354
+O=C(Nc1ccccc1O)N1CCN(c2cccc(F)c2)CC1,-1.1002416610717773
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.976482629776001
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567840099334717
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8315733075141907
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(I)cc2)cc1,-1.3281489610671997
+Fc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.1643102169036865
+CN1CCC[C@H](c2cc(F)ccc2OCc2ccccc2)C1,-1.2587727308273315
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1,-0.964712917804718
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2388821840286255
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1883655786514282
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6443605422973633
+Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1F,-0.8947861790657043
+O=C(CCc1ccc(O)cc1)N1CC(C[NH+]2CCCC2)C1,-1.5360627174377441
+Cc1ccc(OCC(O)=NCCC(C)CC(=O)N2CCCCC2)cc1,-1.4013986587524414
+Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.4559322595596313
+Cc1ccc(C[NH+]2CCN(CC3CCCCC3)C[C@@H]2C)cc1,-1.5094764232635498
+C[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2)CCO1,-1.4225680828094482
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0497310161590576
+Cc1ccc(NC(=O)N2CCCN(C(C)C)CC2)cc1Cl,-0.9082923531532288
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084675669670105
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@H]1O,-1.0450071096420288
+C[C@@H]1C[NH+](C2CCC(C(=O)Nc3ccccc3F)CC2)CCO1,-1.0988683700561523
+Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br,-1.255835771560669
+O=C([O-])C1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]3C2)CC1,-1.0088173151016235
+Cc1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1,-1.3902294635772705
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9579817056655884
+CC(C)(C)CC(=O)NC1CCN(C(=O)c2ccccc2)CC1,-1.4150307178497314
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9409111142158508
+O=C(NCCC[NH+]1CCOC2(CCOCC2)C1)C1CCCCC1,-1.5722748041152954
+CC(C)C[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,-0.8668172955513
+Oc1cc(OCc2ccccc2)c(-c2ccccc2)cc1Br,-1.1655783653259277
+CC[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Br)cc3)CC2)C1,-0.902231752872467
+CC1(C)CC[C@@](O)(CNC(=O)c2cccc(I)c2)C1,-1.4610844850540161
+C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccccc3Cl)C2)CCO1,-0.994112491607666
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1286267042160034
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9899918437004089
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.482176423072815
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.9046235680580139
+C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2901464700698853
+Cc1ccc(C(=O)CNC(=O)c2cccc(O)c2)cc1,-1.515062928199768
+Cc1ccc(F)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1,-1.036453366279602
+CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4264169931411743
+O=C(N[C@@H]1CCC[NH+](C2CCCCC2)C1)[C@H]1CC12CCOCC2,-1.369606375694275
+CCOc1ccccc1NC(=O)c1ccc(C)o1,-1.6322429180145264
+COc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)cc1,-1.0857762098312378
+Cc1ccc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cc1C,-0.9357576370239258
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0608628988265991
+NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,-1.3442109823226929
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112787008285522
+O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1c1ccccc1Br,-1.0746623277664185
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.030383586883545
+C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8742932677268982
+Cc1ccc(NC(=O)N2CCC(c3ccccc3O)CC2)cc1,-1.1429797410964966
+CC(C)(C)C(=O)OC1CCN(Cc2ccccc2Br)CC1,-1.2499419450759888
+CCc1ccc(NC(=O)N2CCOCC3(CCOCC3)C2)cc1,-1.5304622650146484
+O=C(NCC1CCCCC1)N1CC[C@@H](O)C2(CCCC2)C1,-1.5272518396377563
+[NH3+]c1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5675084590911865
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.198380470275879
+Fc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Br)cc3)C2)cc1,-1.1862646341323853
+O=C(Cn1cnc2ccccc21)NCc1ccc(Cl)cc1,-1.1848808526992798
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0379409790039062
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.380332350730896
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3232204914093018
+Cc1ccc(NC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1977834701538086
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2Cl)CC1,-0.8256732225418091
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-0.9540006518363953
+CCc1cc(C(=O)NCc2ccc(C)cc2)no1,-1.6076405048370361
+O=C(Nc1ccc(F)cc1)N1CCC([NH+]2CCCCCC2)CC1,-1.1538591384887695
+c1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)[nH]2)cc1,-1.235683798789978
+Nc1ccc(CCCC(=O)NCc2ccc(Br)cc2)cc1,-1.488831877708435
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3196367025375366
+O=C(c1ccccc1O)N1CCN(Cc2cccc(F)c2)CC1,-1.1351476907730103
+O=C(c1ccc(Cl)nc1)N1CCN(CCc2ccccc2)CC1,-1.1380287408828735
+O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1,-1.5227994918823242
+CCc1ccccc1CNCCC(=O)c1ccccc1,-1.5965063571929932
+CC(CCC(=O)OCc1ccccc1)C(=O)c1ccccc1,-1.6099882125854492
+CCOc1ccc(NC(=O)c2cnn(C)c2)cc1,-1.6191362142562866
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.477729082107544
+CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCC1)c1ccccc1,-1.6136075258255005
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(N)cc1)C2,-0.7632368803024292
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.127753734588623
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7884927988052368
+O=C(Cc1ccccn1)N[C@H]1CCCN(c2ccccc2Br)C1,-1.0642763376235962
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3672585487365723
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.5129926204681396
+Fc1ccc(NCc2nc(-c3ccc(Cl)cc3)cs2)c(F)c1,-0.5824679732322693
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665018796920776
+COc1ccc(CNC(=O)c2cc(Br)sn2)cc1,-1.2626196146011353
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Oc1ccccc1Br,-1.3068128824234009
+COc1ccc(CNC(=O)c2ccc(C)[nH]2)cc1,-1.624892234802246
+O=C(NC1CC2(CCC2)C1)c1ccn(-c2ccccc2)n1,-1.4458657503128052
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.200156807899475
+O=C(NCc1ccc(I)cc1)N1CCOC2(CCCC2)C1,-1.4273680448532104
+Cc1ccc(OCc2ccc(-c3ccc(N)cc3)cc2)cc1,-1.369145393371582
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160650610923767
+c1ccc(-c2nnc(CN3CCC(c4ccccc4)CC3)o2)cc1,-1.2433021068572998
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.244179606437683
+O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.0552316904067993
+O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1C[NH+]1CCOCC1,-1.1810780763626099
+C[NH+]1CCC[C@@H](CNC(=O)c2cc3ccc(Br)cc3o2)C1,-1.011993408203125
+Cc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)ccc1F,-1.5154629945755005
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2920641899108887
+Nc1ccc(C(=O)NC2CCCCC2N2CCOCC2)c(Cl)c1,-0.8595923781394958
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0492700338363647
+Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)nc1Br,-0.9398895502090454
+Cc1nc2c(C(=O)NCc3ccccc3)cc(N)cc2s1,-0.8149857521057129
+COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3630706071853638
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2988512516021729
+O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.6596076488494873
+Cc1cc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)on1,-1.1303949356079102
+Cc1ccc(CNC2CCN(c3ccc(F)cc3Cl)CC2)s1,-0.8123572468757629
+C[C@H]1COCCN1C(=O)C1CC[NH+](Cc2cccc(F)c2)CC1,-1.1494362354278564
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2O)CC1,-1.2466977834701538
+CC1(c2ccc(F)cc2)CCN(C(=O)Cc2cccc(Cl)c2)CC1,-0.9261276721954346
+Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC[C@@H]([NH+](C)C)C1,-0.9723846912384033
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9682208895683289
+Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.1588351726531982
+C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCCO1,-1.3996776342391968
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2323157787322998
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(I)c1,-1.2744814157485962
+O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.427775263786316
+COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1,-1.1593499183654785
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F,-0.9178963899612427
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)s1,-1.1318278312683105
+NC(=O)[C@H](NC(=O)N1CCCCC1)c1ccc(Br)cc1,-1.2629808187484741
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.275660753250122
+CN1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)CC1=O,-1.3156654834747314
+O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1,-0.8475478887557983
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cnn(C)c2)cc1,-1.122204303741455
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(O)cc1,-1.1387640237808228
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8729389905929565
+Cc1ccc(C(=O)NC2(C)CC[NH+](C3CCOCC3)CC2)cc1,-1.372156023979187
+O=C(NC[C@@H]1CC12CCC2)N[C@@H]1CCCC[C@@H]1O,-1.610365867614746
+[NH3+][C@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1132919788360596
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3325543403625488
+O=C(c1cccc(F)c1)N1CCC2(C1)CN(c1ccc(F)cc1)C2,-0.9271172285079956
+Cc1ccsc1CNC(=O)N[C@H]1CCC[C@@H](O)C1,-1.5125136375427246
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5160983800888062
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.1487845182418823
+Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@H](C)C1,-1.1066275835037231
+O=C(c1cc(F)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9553475379943848
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@H]2C)cn1,-1.0450870990753174
+O=C(NCC1CCCCC1)N[C@H]1CCC[C@H](O)C1,-1.7028108835220337
+COc1ccc(OCC(O)=Nc2cccc(F)c2S(N)(=O)=O)cc1,-1.0907862186431885
+Cn1cc(CC(=O)N[C@@H]2CC[C@H](c3ccccc3)C2)cn1,-1.545287847518921
+O=C(Nc1ccc(Br)nc1)N1CCC(c2ccccc2Cl)CC1,-0.7035897970199585
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1I,-0.7653094530105591
+Cc1cccc(NC(=O)NCc2ccccc2)n1,-1.6450027227401733
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0878535509109497
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.201295256614685
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3711521625518799
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCO2)CC1,-1.5507700443267822
+Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1F,-0.478789359331131
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8912787437438965
+C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1,-1.2407422065734863
+O=C(NCc1ccc(F)nc1)N1CCC2(CCOCC2)C1,-1.5066416263580322
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1299678087234497
+Cc1ccc(C2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1,-0.40939095616340637
+Cc1ncncc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.7537206411361694
+O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1,-0.9238914847373962
+CC1CCCCN1C(=O)c1ccc(NC(=O)C(C)(C)C)cc1,-1.1946228742599487
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9617515206336975
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2756601572036743
+COc1ccc(C[NH+]2CCc3nc(-c4ccccc4)sc3C2)cc1,-0.8802513480186462
+O=C(c1ccc2cc(F)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.4449164569377899
+Cc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3N)CCO2)cc1,-1.1511671543121338
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2273006439208984
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.0252221822738647
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(I)cc1,-0.7713883519172668
+c1csc(C[NH+]2CCN(c3ccccc3N3CCOCC3)CC2)c1,-1.2657103538513184
+O=C1CCc2cc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc21,-0.6333634853363037
+CCc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1437305212020874
+Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.1835166215896606
+Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1F,-1.1909070014953613
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2o1,-1.0891057252883911
+Cc1ccc(C(=O)NC(c2ccc(Cl)cc2)C(C)C)cc1,-1.1569745540618896
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2s1,-0.8574618697166443
+O=C(Nc1cccc(Cl)c1)N1CCCN(c2ccccc2)CC1,-1.2350654602050781
+CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2Br)C1,-0.8800229430198669
+Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1c1ccc(F)cc1,-1.203708529472351
+COC(=O)c1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1,-0.9596790075302124
+Cn1cc(NC(=O)c2ccco2)c(-c2ccc(F)cc2)n1,-1.131378412246704
+COc1cccc(CNC(=O)N2CC[C@@H](C)C2)c1,-1.6097831726074219
+O=C(Nc1ccc(-c2ccc(F)cc2Br)cc1)c1ccccc1,-1.0553818941116333
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2090972661972046
+COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1,-1.4215223789215088
+Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2Cl)no1,-1.00291109085083
+CCc1cc(F)c(NC(=O)c2ccc(F)c(F)c2)cc1F,-0.5757223963737488
+Nc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2074472904205322
+O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(c2ccncc2)CC1,-1.0784955024719238
+Cc1ccc(C(=O)Nc2ccc(CC(C)C)cc2)c(N)c1,-1.171053409576416
+Cn1cc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.0633622407913208
+CC(C)C(O)=NCc1ccccc1,-1.8333213329315186
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.077601671218872
+C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1c1ccc(Cl)cc1,-0.7598609328269958
+Cc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(C)n1,-0.8688583374023438
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.892853319644928
+Cc1cccc(C(=O)NCC(O)=NCCc2ccccc2)c1,-1.5323723554611206
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.348440170288086
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3Cl)cc2)C1,-0.9982662796974182
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.0424396991729736
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)n[nH]1,-0.9670446515083313
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2969796657562256
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5066018104553223
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604657173156738
+C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.290266752243042
+O=C(NC1(c2cccc(F)c2)COC1)c1ccc(Cl)cc1,-1.2610692977905273
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)cn1,-1.0012853145599365
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.482416033744812
+Cc1nnc(NC(=O)CN2CCC[NH+](C3CCCCC3)CC2)s1,-0.9586457014083862
+C[NH+]1CCC[C@H](CNC(=O)Cc2nc3ccccc3s2)C1,-1.088348150253296
+O=C(Nc1ccc(Br)cc1)NC1CCC2(CCCO2)CC1,-1.467545509338379
+CC(C)CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](C)C2)C1,-1.4232652187347412
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.501819372177124
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2911157608032227
+O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(Br)cc2)C1,-1.008664608001709
+Cc1ccc(C(=O)N[C@H](C)CCc2ccc(F)cc2)cc1,-1.313065767288208
+CC1(C)CCN(C(=O)Nc2nnc(-c3ccccc3)s2)C1,-1.0686558485031128
+Cc1cc(I)ccc1CNC(=O)CCc1cccc(Br)c1,-0.9897072315216064
+CCC(C)(C)C(=O)NCc1ccc(N2CC=CC2)cc1,-1.5560814142227173
+O=C(Oc1ccc(Br)cc1Cl)c1ccc(C(F)(F)F)cc1,-0.7632344961166382
+C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3507298231124878
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665127277374268
+CN1CCN(c2cccc(C(=O)Nc3ccccc3)c2)C1=O,-1.2473485469818115
+Cc1ccccc1C(=O)N[C@H]1CC[NH+](C)C[C@H]1c1ccccc1,-1.086557149887085
+Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.14718496799469
+O=C(Cn1ncc2ccccc21)NCc1ccc(F)cc1,-1.2436602115631104
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1Cl,-0.7800713777542114
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3821097612380981
+Cc1c(C(=O)Nc2ccccc2N)cnn1-c1ccc(F)cc1,-0.7282553315162659
+Cc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3C)C2)nn1,-0.9875970482826233
+Fc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.3472208976745605
+Nc1ccc(N2CCC(OCc3ccc(F)cc3)CC2)cc1,-1.430794596672058
+O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](c2ccccc2)C1,-1.3052308559417725
+O=C(Nc1ccc(F)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1,-1.6092040538787842
+O=C(C1CC(F)(F)C1)N1CC[NH+](Cc2ccccc2)CC1,-1.2628439664840698
+[NH3+]c1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cn1,-0.9464129209518433
+O=C(C(O)=NCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.0137277841567993
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9459985494613647
+OC(=NCc1cc(Cl)ccc1Cl)NC1CCN(c2ccc(F)cc2)CC1,-0.5408532023429871
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292282104492188
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2411816120147705
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1,-0.8001485466957092
+O=C(N[C@H]1CCCO[C@H]1c1ccccc1F)c1cccc(F)c1,-1.1442651748657227
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9493985772132874
+Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)cc1,-1.0122591257095337
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0723248720169067
+CC1(C)C[C@@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1274487972259521
+O=C(N[C@@H]1CC[NH+](CC2CC2)C1)c1ccccc1,-1.6444411277770996
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0093286037445068
+O=C(S)c1ccc(C(=O)NCc2ccccc2)cc1,-1.572089672088623
+Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC4(CCCCC4)C3)CC2)cc1,-0.9814416766166687
+C[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)cc1,-1.4830756187438965
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.2258292436599731
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0381629467010498
+Cc1ccc(C(=O)NCCCC(=O)N2CCC(C)CC2)cc1,-1.3358886241912842
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8951792120933533
+Nc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.4895254373550415
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4174994230270386
+COc1ccc(CCNC(=O)c2ccncc2F)cc1,-1.4130854606628418
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.066536784172058
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.260862946510315
+O=C(Nc1ccc(F)cc1)C1(c2cccc(F)c2)CCC1,-1.231873631477356
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9231359362602234
+O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Br,-0.8947111964225769
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.0560888051986694
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8830733895301819
+FC1(F)CCN(c2ccc(NCc3ccccc3)cc2)CC1,-1.3574862480163574
+CCCN=C(O)COC(=O)c1ccn(-c2ccc(Cl)cc2)n1,-1.28657066822052
+O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN=C(O)C1,-1.3213939666748047
+COc1cc(C)ccc1C(=O)N1CCC(c2ccccc2)CC1,-1.0916246175765991
+C[C@H](Sc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.2656421661376953
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-1.0658985376358032
+CC1(C)CCN(C(=O)Nc2ccn(-c3ccccc3)n2)C1,-1.3906491994857788
+Clc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.0866779088974
+Fc1ccc(-c2ccc(NCc3cccc(Cl)c3)nn2)cc1,-0.9268327355384827
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1949083805084229
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2o1,-1.0412683486938477
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1csc(-c2ccccc2)n1,-1.0461571216583252
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0670206546783447
+O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](F)C1,-1.0960890054702759
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(I)cc1F,-0.9143623113632202
+O=C(NCc1ccc(Br)cc1)C(=O)c1ccc(F)cc1,-1.3635821342468262
+C[NH+]1CCC(CNC(=O)Cc2cc3ccccc3o2)CC1,-1.4875171184539795
+Cn1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)n1,-1.3492621183395386
+Cc1ccc(OCC(=O)N[C@@H]2C[C@H]2C2CCOCC2)cc1,-1.5319838523864746
+Cc1ccc2[nH]c(CNC(=O)c3ccc(Br)cc3)nc2c1,-0.8434057235717773
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.0681425333023071
+Cc1csc(NC(=O)c2ccc(-c3nc(C)no3)cc2)n1,-1.0207077264785767
+Cc1ccccc1N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.2623082399368286
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5042893886566162
+CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5942968130111694
+Fc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.1947399377822876
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846287369728088
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1,-1.1660672426223755
+C[C@@H](O)CNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1,-1.097158670425415
+c1ccc(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1,-1.3102734088897705
+Cc1ccc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1,-0.6600062251091003
+O=C(c1ccc(F)cc1)N1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1,-1.1078680753707886
+C[NH+]1CCN(C(=O)NCC(=O)c2ccc(F)cc2)CC1,-1.3478071689605713
+CCOC(=O)[C@@H]1CCC[NH+](Cc2ccc(Cl)s2)C1,-1.4247829914093018
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.00960111618042
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(O)c1,-1.1388252973556519
+c1ccc(CNc2ccc3cc(-c4ccccc4)ccc3c2)cc1,-1.263183832168579
+Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Br)c2)cc1,-1.3636996746063232
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.376713514328003
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n[nH]1,-0.9020058512687683
+O=C(NCCCc1ccc(F)cc1F)[C@H]1C[C@@H]1C1CCOCC1,-1.0630695819854736
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5270620584487915
+O=C(c1cccc(F)c1)N1CCNCC1,-1.6722466945648193
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.166641116142273
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.7558209896087646
+O=C(Nc1ccc2oncc2c1)N1CCC[C@H]1c1ccccc1,-1.1277446746826172
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1481364965438843
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1006176471710205
+OC(COCc1ccccc1)=NCc1ccc(F)c(Cl)c1,-1.5203174352645874
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.226108193397522
+Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4455546140670776
+O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1,-1.3504635095596313
+O=C(NC1CCC(c2ccccc2)CC1)c1ccc(O)cc1Cl,-0.981522262096405
+Cc1ccc(CNC(=O)c2cc3ccc(C)cc3o2)cc1,-1.2560844421386719
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9662109017372131
+Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1821575164794922
+CN=C(O)C(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)cc1,-1.066159725189209
+Cn1cc(NC(=O)[C@H]2CCOC2)c(-c2ccc(Cl)cc2)n1,-1.0187978744506836
+CCCCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.1848500967025757
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1356865167617798
+Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cn1,-0.9269419312477112
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0637089014053345
+O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8801742196083069
+Cc1ccc(N2CCN(C(=O)NCC(C)(C)C)CC2)cc1,-1.2826099395751953
+O=C(NCc1ccc2c(c1)CCCC2)c1ccc(F)cc1,-1.15824294090271
+O=C(NCC(O)=[NH+]CCN1CCCCC1)c1ccc(Cl)cc1,-1.5184428691864014
+CCc1ccc(C(=O)NCC(O)=Nc2ccc(Cl)cc2)cc1,-1.3194111585617065
+C[C@@H]1C[NH+](C)CC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1,-1.1978909969329834
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1621227264404297
+O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1,-0.7957989573478699
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.1485451459884644
+c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.2788714170455933
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2s1,-1.1233617067337036
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.549622654914856
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.373050570487976
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125002145767212
+Cc1cccnc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4185066223144531
+Cc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.5030460357666016
+NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1,-1.597109079360962
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9228976964950562
+Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cc1,-0.9386178851127625
+Cc1ccc(C(=O)NC(=O)c2ccc(S)cc2)cc1C,-1.1654738187789917
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0953125953674316
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5296493768692017
+CC(C)CNC(=O)N1CCC(c2ccc(F)c(F)c2)CC1,-0.8732590079307556
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0561293363571167
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.075384259223938
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2939378023147583
+O=C(Nc1cccc(O)c1)[C@@H]1CCN(c2ccccc2)C1=O,-1.2583694458007812
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1scnc1-c1ccccc1,-0.9288638830184937
+Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1ccc(Cl)cc1,-0.9969226717948914
+Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1,-1.5560845136642456
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.6370545625686646
+Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)c(N)c1,-1.2335469722747803
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.1444392204284668
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4329239130020142
+O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,-1.3997461795806885
+Cn1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)n1,-0.8996930718421936
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004142999649048
+C[C@@H]1CCC[NH+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1,-1.5731444358825684
+Oc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1F,-1.3445239067077637
+Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2cccc(Br)c2)nc1,-1.0743470191955566
+Cc1cnccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0318037271499634
+Cc1ccc(NCC(=O)N2CC[NH+](CC(C)C)CC2)cc1,-1.400523066520691
+O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1,-1.4585707187652588
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2cccc([O-])c2)cc1,-1.1464436054229736
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0279213190078735
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258816123008728
+Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.591286063194275
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1,-0.9787445068359375
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3445894718170166
+Cc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5722061395645142
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.221245527267456
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1976656913757324
+O=Cc1ccc(F)cc1F,-1.847261667251587
+Cc1ccc(C(=O)N2CCN(c3nc(O)c4ccccc4n3)CC2)cc1,-0.5418219566345215
+O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(F)c(F)c2)CC1,-0.25500091910362244
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0138393640518188
+CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1,-1.4355826377868652
+Cc1ccc([C@H]2C[C@H](NC(=O)c3ccc(I)cc3)C2)cc1,-1.1329013109207153
+Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.0885246992111206
+Cc1nc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)co1,-1.1183128356933594
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.464055061340332
+Cc1ccc(NC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.130398154258728
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0476714372634888
+O=C(NCc1cc2ccccc2o1)c1ccc(O)c(O)c1,-1.4112834930419922
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(Cl)c2)no1,-1.1376872062683105
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.887934148311615
+CN1CC(C(=O)NCc2ccc(Cl)cc2)c2ccccc2C1=O,-0.7497430443763733
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934328198432922
+CN(C)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1,-1.4132086038589478
+Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.2542496919631958
+Cc1nc2ccc(CNC(=O)[C@@H]3CCC[C@H](F)C3)cc2[nH]1,-0.8219038248062134
+O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.3971073627471924
+Cc1nc(CC(=O)Nc2nnc(-c3ccccc3)s2)cs1,-0.9288557767868042
+CCc1ccc(C(=O)NC2CCC3(CCC(C)O3)C2)cc1,-1.531930685043335
+O=C(NC1CC(c2ccc(O)cc2)C1)c1ccc(F)cc1,-1.2210592031478882
+CC(C)(O)CNC(=O)N1CCC[C@H](c2ccc(Br)cc2)C1,-1.3516258001327515
+Cc1ccc(OC2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2516063451766968
+O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCC12CCOCC2,-1.268140435218811
+Fc1ccc(C[NH+]2CCC[C@@H](Cc3ccccc3)C2)cc1F,-1.1955734491348267
+Fc1ccc(C[NH+]2CC[C@H](Cc3ccccc3F)C2)cc1F,-0.9712631106376648
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044032573699951
+O=C(NCC1CCOCC1)Nc1ccc(Br)cc1,-1.5676608085632324
+CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-0.8777711987495422
+Cc1nnc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1,-0.9134234189987183
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4651851654052734
+Cc1ccc(NC(=O)Cc2ccc(N3CCCCC3)cc2)cc1,-1.358906626701355
+CC1(C)CC[C@H](NC(=O)c2ccn(-c3ccccc3)n2)C1,-1.3629335165023804
+CN(C)c1ccc(CNCC(=O)N2CCCCC2)cc1,-1.5445538759231567
+Cc1nc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)co1,-1.0301294326782227
+O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cccs1,-0.9882990121841431
+O=C(c1ccc(Cl)cc1)N1CCc2cnc(-c3ccc(F)cc3)nc2C1,-0.256708025932312
+Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1848024129867554
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.298538327217102
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.211991310119629
+C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ncccc3Cl)CC2)CC1,-0.8408372402191162
+CC(C)CC(=O)N1CCC(NC(=O)c2ccccc2F)CC1,-1.1517796516418457
+O=C(NC1CCC(n2cccn2)CC1)[C@@H]1C[C@H]1C1CCOCC1,-1.1122148036956787
+COc1ccccc1N1CCC(C(=O)N2CCN(C)CC2)CC1,-1.191402792930603
+N#Cc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1,-1.3690552711486816
+Cc1ccc(C[NH3+])c(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.0595645904541016
+Cc1nc(NC(=O)c2cccs2)n(-c2ccc(N)cc2)n1,-0.8950948119163513
+c1ccc(Cc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1,-1.2533533573150635
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.308963656425476
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0325034856796265
+Cc1ccccc1N1CCC(C(=O)Nc2ccccc2Br)CC1,-0.8987129330635071
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.868948757648468
+C[C@H]1CCCCN1C(=O)Nc1ccccc1N1CCNC1=O,-1.0520504713058472
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536102056503296
+Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9020498991012573
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1705222129821777
+O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.5748567581176758
+O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-1.0732444524765015
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.214705467224121
+C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.5184298753738403
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3947010040283203
+O=C(COc1ccc(Cl)cc1)N1CCC(c2ccncn2)CC1,-1.0643028020858765
+Cc1nc(C)c(C(=O)Nc2ccc(N3CCNC3=O)cc2)s1,-0.7250469326972961
+O=C(C[C@@H](O)c1ccc(Br)cc1)NCc1ccc(Br)cc1,-1.3479357957839966
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846189260482788
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.0430606603622437
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1cccc(O)c1,-1.1262229681015015
+Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9702430963516235
+CC1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.255957841873169
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.3510351181030273
+Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2cnn(C)c2)cn1,-0.9907024502754211
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0077159404754639
+CC1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3755306005477905
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2085378170013428
+Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2o1,-1.106520414352417
+O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1,-1.5030864477157593
+Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1O,-1.4632747173309326
+O=C(NCC1CCOCC1)Nc1ccc(O)cc1,-1.6814241409301758
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5101244449615479
+Cc1ccc(-n2ccc(C(=O)Nc3cc(C)on3)n2)cc1,-1.1891793012619019
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cn1,-1.258503794670105
+C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9791015982627869
+Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-0.958774983882904
+OC1(C[C@@H]2CCCOC2)CC[NH+](Cc2ccc(F)cc2)CC1,-1.5376911163330078
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Cl)cc1)C2,-0.6628592014312744
+CCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1,-1.369017243385315
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CC=CCC1,-1.2820993661880493
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1Cl,-1.1602312326431274
+Cc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)c(C)c1,-0.7935187816619873
+C[C@H]1CCCC[C@H]1NCC(=O)N1CC[NH+](C2CCCCC2)CC1,-1.1287801265716553
+C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC3(CCOCC3)O2)C1,-1.593981146812439
+Cc1ccc(-c2ccnc(NCc3ccc(Br)cc3)c2)cc1,-1.0877383947372437
+Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.0601141452789307
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9594944715499878
+CC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1,-1.426406979560852
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,-0.5943196415901184
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,-0.9656200408935547
+Cc1cc(Cl)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9725281596183777
+Cc1ccccc1C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1,-1.0318816900253296
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.1472045183181763
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.5353819727897644
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.566139817237854
+c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.2515982389450073
+CCC(C)C(=O)N1CCC(OCc2ccc(Cl)cc2)CC1,-1.3487982749938965
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1csc(-c2ccccc2)n1,-0.9316843748092651
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.311283826828003
+O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2791541814804077
+CC(=O)N1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1,-1.5452152490615845
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1886117458343506
+C#Cc1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1,-1.2416623830795288
+Fc1ccc(CNc2ccc(Br)cc2C2CCCCC2)cc1,-0.9654147624969482
+Cn1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)n1,-1.0679056644439697
+Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.248030662536621
+Cc1cc(F)ccc1CNC(=O)[C@@H]1CCS(=O)(=O)C1,-1.3518834114074707
+O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)OCO2,-1.286126732826233
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.469444990158081
+Cc1cccc(CC(O)CNC(=O)c2ccc(Br)cc2)c1,-1.3599326610565186
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8986213803291321
+COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.080723762512207
+O=C([C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.7545179724693298
+[NH+]c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3Cl)C2)cc1,-1.0769524574279785
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9268466234207153
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.0582436323165894
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2703851461410522
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4647477865219116
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.257396936416626
+CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.0407007932662964
+O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9600801467895508
+CC1(C)CC[C@H](CNC(=O)N2CCc3ccccc3C2)C1,-1.2590875625610352
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1,-1.2199631929397583
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.0387672185897827
+c1ccc(-c2ncc(CN3CCC(c4ccccc4)CC3)s2)cc1,-1.120293378829956
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0077992677688599
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.39139214158058167
+Cc1cccnc1N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-0.9232559204101562
+CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1,-0.8505933284759521
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.2091306447982788
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.153963565826416
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2150719165802002
+C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC[NH2+]1,-0.9382265210151672
+O=C(c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.3532483577728271
+Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl,-0.7190395593643188
+O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.331419825553894
+C[NH+]1CC[C@H](NC(=O)c2ccccc2F)[C@H](c2ccccc2)C1,-1.032202124595642
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987531900405884
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCNC3=O)cc2)C1,-1.1323856115341187
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9946944117546082
+CC(C)NC(=O)c1ccc(N2CCN(C)CC2=O)cc1,-1.180122971534729
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(N)c1,-0.9327337145805359
+c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.256548523902893
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8864807486534119
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0325610637664795
+COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.4831091165542603
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9971704483032227
+CN1CC[NH+](Cc2ccc(O)cc2)[C@@H](Cc2ccccc2)C1,-1.4876887798309326
+O=C(Nc1ccc(Br)cc1F)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1,-0.7790497541427612
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.8928743600845337
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1F,-0.9751092195510864
+O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccccc2Cl)CC1,-0.8275402188301086
+CN1CCC(CN2CCN(Cc3cccc(F)c3)CC2)CC1,-1.2858885526657104
+COc1ccc(C(=O)NC2CC3CCC(C3)C2(C)C)cc1,-1.0410189628601074
+O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2O)CC1,-1.2626674175262451
+O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[NH+]1C1CCCC1,-0.9067395925521851
+O=C(Nc1ccccc1N1CCCC1)c1cnc2[nH]cnc2c1,-0.8952147960662842
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1818804740905762
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9720509648323059
+O=C(CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1,-1.2252763509750366
+O=C(Nc1ccccc1N1CC[S+]([O-])CC1)c1ccccc1,-1.3145718574523926
+O=C(CNc1ccccc1)OCc1ccccc1,-1.7484917640686035
+C[C@@H]1CC(NC(=O)c2ccc(C(=O)[O-])cc2)C[C@@H](C)O1,-1.313065528869629
+Cc1ccc(N2CCN(C(=O)c3ccc4ccc(Cl)cc4c3)CC2)cc1,-0.6784070730209351
+Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)[nH]n2)cc1,-1.1104923486709595
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5133700370788574
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1136369705200195
+Cc1ccc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.1659871339797974
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9527837038040161
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204627513885498
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0266356468200684
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.0874745845794678
+C[NH+]1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.0723621845245361
+C[C@H]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2cccc(Br)c2)C1,-1.2643245458602905
+O=C1CCC(NC(=O)C2CCN(c3ccccc3)CC2)CC1,-1.3230960369110107
+O=C(Nc1ccc(F)cc1Cl)N1CCC([NH+]2CCCCC2)CC1,-0.7398048639297485
+COc1ccc(C(=O)N2CCC(c3ccc(N)cc3)CC2)cc1,-1.0849360227584839
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9591797590255737
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.021321177482605
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1860204935073853
+O=C(Nc1cccc2nc[nH]c12)c1ccn(-c2ccccc2)n1,-0.9910884499549866
+CC(C)(O)C[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1,-1.383806824684143
+O=C(Cc1ccccc1)C1=CCN(Cc2ccccc2)CC1,-1.5564144849777222
+CC1(C)CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1,-1.4868617057800293
+C[NH+]1CCC2(CC[C@H](NC(=O)Nc3cccc(F)c3)C2)C1,-1.5334364175796509
+Cc1ccc(CNC(=O)CCN2CCCC2=O)cc1C,-1.3054746389389038
+O=C(N[C@@H]1CCCOC1)N1CCN(c2ccc(F)cc2F)CC1,-0.9704642295837402
+Cc1cccnc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.9364416003227234
+Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1,-1.3213125467300415
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-1.005026936531067
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.8178267478942871
+Cc1nc(-c2ccccc2NC(=O)c2csc(C)n2)n[nH]1,-0.694191038608551
+Cc1cc(C(=O)Nc2scnc2-c2ccc(Cl)cc2)n[nH]1,-0.772375762462616
+[NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9046763181686401
+Oc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3186155557632446
+Cc1ccc(N2CC[C@H](NC(=O)c3ccc(C)o3)C2)cc1,-1.3178551197052002
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.097669005393982
+COc1ccc(CC(=O)NCc2ccccc2Br)cc1,-1.4624251127243042
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccccc2F)C1,-0.970161497592926
+Cc1ccc(-c2ccc(N)cc2)c(OCc2ccccc2)c1,-1.3248462677001953
+Oc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1Cl,-0.6626461744308472
+CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@H]1C,-1.1392039060592651
+Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.92777419090271
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1,-0.9788420796394348
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc([O-])cc1F,-1.1483354568481445
+C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.4242839813232422
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9616237282752991
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2059605121612549
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccn2)CC1,-1.2383743524551392
+COc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.610398769378662
+CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(C)(C)C,-1.3305712938308716
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0781714916229248
+CC(C)(C)C(=O)N1CC[NH+](CC(=O)Nc2ccccc2)CC1,-1.4420735836029053
+O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3782875537872314
+Cc1ccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)cn1,-1.0077426433563232
+Cc1cccc(-c2nc3cc(NC(=O)CC(C)(C)C)ccc3o2)c1,-0.9385793209075928
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1Cl,-1.0766535997390747
+O=C(c1ccc(F)nc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.238095760345459
+c1ccc(C[NH+]2CCC(c3nccn3-c3ccccc3)CC2)cc1,-1.4261449575424194
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.156302571296692
+COc1ccc(CC(=O)Nc2ccc(C)cc2F)cc1C,-1.1012258529663086
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)C3)cc1,-1.2149746417999268
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2066625356674194
+C[NH+]1CCN(CC(=O)Nc2ccc(N3CC[NH2+]CC3)cc2)CC1,-1.3859957456588745
+C[NH+]1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.4218069314956665
+O=C(C[NH+]1CC[C@@H](c2ccc(F)cc2)C1)NC1CCCC1,-1.3682142496109009
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2cnn(C)c2)cc1,-1.115457534790039
+O=C(NC[C@H]1CCCCO1)Nc1ccc(Br)nc1,-1.5416288375854492
+Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C,-1.3421624898910522
+CC1CCc2cc(C(=O)NCc3ccccc3F)sc2C1,-0.7955502271652222
+O=C(c1ccc(I)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.0474833250045776
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5188263654708862
+O=C(NCc1ccc(F)cc1)C1=CCCN1c1ccccc1,-1.3258070945739746
+O=C(NC[C@H]1CCCOC1)Nc1ccc(Cl)cn1,-1.5783151388168335
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954837322235107
+Cc1cc(F)ccc1C(=O)N1CCC(c2ccccc2)CC1,-1.130077600479126
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508721113204956
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.0689648389816284
+Cc1ccc([C@@H]2CCCC[C@H]2NC(=O)Cc2ccccc2)cc1,-1.3406208753585815
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3179336786270142
+Cc1[nH]c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c[nH+]1,-0.8502160906791687
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.1757146120071411
+CCc1nnc(CNC(=O)c2ccc(Cl)nc2)s1,-0.9043096899986267
+c1ccc(CNCc2cccs2)cc1,-1.861224889755249
+Cc1ccc(-c2ccccc2)c(NCc2ccc(N)cc2)c1,-1.3935906887054443
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1,-0.7820624709129333
+O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1,-1.4915424585342407
+C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccccc2)CC1,-1.3147833347320557
+O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc[nH]1,-1.6253747940063477
+O=C(NC1CCCCC1)[C@H]1CCN(c2ccc(Br)cc2)C1=O,-0.9375185966491699
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3347688913345337
+Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)nc2)c1,-0.8562238216400146
+CC1CN(Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.3999438285827637
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2818087339401245
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)n[nH]1,-0.9786627292633057
+CC(C)(O)CCC(=O)NCc1ccn(-c2ccccc2)n1,-1.5657089948654175
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1,-1.025023102760315
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cn1,-1.016557216644287
+Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)[nH]c2c1,-1.0392358303070068
+O=Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)c1,-1.451349139213562
+O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.3314229249954224
+CC[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2046359777450562
+O=C(NCc1ccc(Br)cn1)N1CCC2(CCCCC2)C1,-1.228236436843872
+CC1CCCN(CC(O)CNC(=O)c2ccc(F)cc2)C1,-1.430463433265686
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146795988082886
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.118115782737732
+O=C(CC1CCCCC1)NCC(O)=NCCc1ccccc1,-1.5805244445800781
+CC(C)(O)CC(=O)NCc1ccccc1,-1.8249315023422241
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.195939540863037
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2695884704589844
+Cc1nsc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-0.7675257921218872
+O=C1CCC(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.3353629112243652
+NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4262871742248535
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567818641662598
+O=C(Nc1ccccc1O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.1445330381393433
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)nc1,-0.906255304813385
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1842914819717407
+O=C(Cc1nc2ccccc2[nH]1)NCc1cccc(Cl)c1,-1.1222535371780396
+Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1601320505142212
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0585378408432007
+CC1(C)CC(NC(=O)C2CC[NH+](C3CCCCC3)CC2)C1,-1.314979910850525
+CC[NH+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.9205209016799927
+CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2157137393951416
+O=S1(=O)CC[C@H](COc2ccc(-c3nn[n-]n3)cc2)C1,-1.5026865005493164
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.178099274635315
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5950216054916382
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl,-0.7172712683677673
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.018340826034546
+CC(c1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1,-1.4128155708312988
+Fc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.2357556819915771
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0899964570999146
+CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1,-1.493498682975769
+CC(C)(O)CCNC(=O)c1ccsc1-c1ccc(F)cc1,-1.269400954246521
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.0650581121444702
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccc(F)cc1,-1.004610538482666
+Cc1cc(-c2nc(-c3ccc(F)cc3)no2)n(-c2ccc(Cl)cc2)n1,-0.5064950585365295
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1419469118118286
+COc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-1.126220941543579
+Cc1cccnc1C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1,-1.03536057472229
+CC(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1,-1.1874542236328125
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.104819655418396
+O=C(C[NH+]1CCCCCC1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.2360283136367798
+Cc1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1868029832839966
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Br)c3)n2)n1,-1.0599219799041748
+C[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.012917160987854
+c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.276491641998291
+Cc1ccc(C(=O)NC[C@H]2CCCC3(CCOCC3)C2)o1,-1.5485142469406128
+O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCc2sccc2C1,-0.9877761602401733
+CC(=O)N1CCC[C@@H](NC(=O)Cc2cccc(Br)c2)C1,-1.2277854681015015
+O=C(Cc1ccccc1F)Nc1ccc(N2CCOCC2)cc1,-1.3503756523132324
+O=C(c1ccc(OC2CCCCC2)cc1)N1CCC[S+]([O-])C1,-1.4009246826171875
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1419169902801514
+CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.4303065538406372
+Nc1cc(F)ccc1OC1CCN(C(=O)c2ccccc2)CC1,-1.1007626056671143
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.2821462154388428
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)on1,-1.2419445514678955
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1490232944488525
+CC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1,-1.1460672616958618
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ccccc1,-1.016068696975708
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961295485496521
+Cn1c(NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)nc2ccccc21,-0.7298206090927124
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Br,-0.942662239074707
+O=C(c1ncccc1F)N1CCC(Oc2ccc(F)cc2)CC1,-0.977402925491333
+C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1,-1.4376927614212036
+Cc1ccc(CC(=O)NCc2ccc(F)cc2F)c(F)c1,-1.013472318649292
+Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4388484954833984
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[C@@H](F)C1,-1.028559684753418
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)nc1,-0.9329605102539062
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2019987106323242
+Nc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1,-0.9962334632873535
+NCc1ccc(OCCOc2ccc(F)cc2)cc1,-1.6201037168502808
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.207981824874878
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764910340309143
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0298315286636353
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1663222312927246
+COC(=O)C1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1,-1.0101690292358398
+C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1772522926330566
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1236810684204102
+CCC[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.4956811666488647
+O=C(NCCc1ccccc1)c1ccc2ccc(=O)[nH]c2c1,-1.3190696239471436
+Cc1ccc(CC(=O)NCc2ccc3nc[nH]c3c2)cc1,-1.3158923387527466
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.2123796939849854
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.1345305442810059
+CC(C)C(C)(C)NC(=O)C1CCN(c2ccccc2)CC1,-1.3950704336166382
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3518352508544922
+Fc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.14004647731781
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7944781184196472
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.419966220855713
+CN(CCNC(=O)c1ncccc1Cl)c1ccccc1,-1.29229736328125
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2055659294128418
+COC(=O)N1CCCC(NC(=O)c2ccccc2)C1,-1.5961247682571411
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653917551040649
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6724941730499268
+CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@]23CCCCO3)cc1,-1.4480589628219604
+CC1(C)CC(NC(=O)c2ccccc2)C1c1ccccc1,-1.4185919761657715
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961424827575684
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5280832052230835
+Cc1ccc(CN(C)C(=O)CCc2ccc(Br)cc2)cc1,-1.3248316049575806
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4309271574020386
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-0.9109288454055786
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2188000679016113
+Cc1ccc(N2CCN(C(=O)c3cc(F)cc(Br)c3F)CC2)cc1,-0.3989086449146271
+CCc1nocc1C(=O)NCc1ccc(Cl)cc1,-1.3829433917999268
+O=C(c1ccc(Cl)nc1)N1CCN(CCc2ccccc2)CC1,-1.137173056602478
+CC(=O)NC1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1,-1.049536943435669
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3338065147399902
+c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1,-1.0726226568222046
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.1693693399429321
+CC1CCC(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)CC1,-1.1038451194763184
+Cc1nc(COc2ccc(I)cc2)cc(-c2ccccc2)n1,-0.9294446706771851
+O=C1CCCN1c1ccc(F)cc1,-1.7896751165390015
+C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.1807323694229126
+Cn1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cn1,-0.9337804913520813
+O=C(NCc1cccc(Cl)c1)N1CCOC2(CCCC2)C1,-1.5133097171783447
+O=C1CCC[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1,-1.4890012741088867
+O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccc1)CC2,-1.0126084089279175
+CN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.070637583732605
+O=C(CC1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.29059898853302
+CC1(C)CN(Cc2ccc(Cc3ccccc3)cc2)CCN1,-1.5532886981964111
+Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Br)cc1F,-0.6370307207107544
+CC(C)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1,-1.535583734512329
+CN1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0064098834991455
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[NH+]2CCCC[C@@H]12,-0.7735743522644043
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.209031581878662
+O=C(NC[C@@H]1COC2(CCOCC2)C1)c1ccc(Cl)cn1,-1.4945058822631836
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9745711088180542
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Br)c1,-1.0092495679855347
+Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0477768182754517
+O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]1C1CCOCC1,-1.556149959564209
+Cc1ccc(CNC(=O)c2ccc3oc(C)nc3c2)cc1,-1.1269125938415527
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0625747442245483
+O=C(Nc1ccccc1F)N1CCN(c2ccc(O)cc2)CC1,-1.1017123460769653
+O=C(NCc1cc2ccccc2[nH]1)c1ccc(Br)c(F)c1,-0.8921574354171753
+C[C@H]1CCCCN(C(=O)Nc2cccc(N3CCOCC3)c2)C1,-1.3779186010360718
+Cc1ccccc1NC(=O)C[NH+]1CCC[C@@H](c2ccccc2)C1,-1.3502800464630127
+CN1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.092818260192871
+C[C@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0149866342544556
+O=C(Nc1ccccc1F)N1CCOC[C@@H]1c1ccc(Cl)cc1,-1.004936695098877
+CNc1ccc(C(=O)NCc2ccc(N)cc2)s1,-1.4556726217269897
+CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1118435859680176
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9438732862472534
+CC(C)N=C(O)Nc1ccc(NCc2ccccc2)cc1,-1.5567837953567505
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.273664116859436
+OC(COc1ccc(-c2nc[nH]n2)cc1)=NCc1ccccc1,-1.4678839445114136
+Nc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-1.0004231929779053
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9755759239196777
+O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2,-0.7253002524375916
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.083394169807434
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508762836456299
+Cc1ccccc1C(=O)N[C@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.0315121412277222
+CC(C)CNC(=O)C[NH+]1CCC[C@H](c2ccc(O)cc2)C1,-1.528732180595398
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2038943767547607
+C[NH+]1CCC[C@H](C(=O)NCc2cc3ccc(F)cc3o2)C1,-1.1312742233276367
+Cc1ccc2c(c1)CN(C(=O)NCc1ccc(F)cc1)C2,-1.229756474494934
+CC1(O)CC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,-1.5259674787521362
+O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(Br)cc1F,-0.7932142615318298
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.504468321800232
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1,-1.074045181274414
+CC1(C)CC(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCO1,-1.329697847366333
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4190356731414795
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.212510347366333
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.038881540298462
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1854833364486694
+COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-0.928041398525238
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8332895040512085
+COc1ccc(C(=O)N[C@H]2Cc3ccccc3N2C)cc1,-1.1744518280029297
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.050870656967163
+O=C(Nc1cc(Cl)cc(Br)c1)Nc1nc2ccccc2s1,-0.6999767422676086
+CC1Cc2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc2O1,-1.2920138835906982
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.30815589427948
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.320643424987793
+CS(=O)(=O)C1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.112510085105896
+c1ccc(CN2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2343885898590088
+Fc1ccc(-c2ccc(NCc3ccc(I)cc3)nn2)cc1,-0.867443859577179
+[NH3+]C1(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CCCC1,-0.9260905981063843
+Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1,-1.4817501306533813
+C[C@@](O)(CNC(=O)Cc1cccc(Br)c1)c1ccccc1,-1.4850176572799683
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1,-0.9753226041793823
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(F)cc2)no1,-1.0925806760787964
+C[C@@H]1CN(C(=O)NC[C@H](O)c2cccc(Br)c2)C[C@H](C)O1,-1.2276288270950317
+O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2F)CC1,-0.9231703281402588
+Fc1ccc(-c2ccccc2)c(F)c1,-1.6878587007522583
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.189558506011963
+Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9959656596183777
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1138685941696167
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8971129655838013
+Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(Cl)c1,-0.966354250907898
+Cc1nnc(NC(=O)c2ccoc2-c2cccc(F)c2)s1,-0.8445967435836792
+Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2)cc1Br,-0.7191309332847595
+Cc1ccc(CCNC(=O)N2CCC3(CCO3)CC2)nc1,-1.5277549028396606
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12,-0.39559438824653625
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679456233978271
+Nc1ccc(N2CCC[C@H](NC(=O)c3ncccc3Cl)C2)cc1,-0.8142352104187012
+O=C(CC(c1ccccc1)c1ccccc1)c1ccccc1,-1.5281095504760742
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2173303365707397
+Cc1cc(N)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.1744273900985718
+O=C(c1ccc(F)c(F)c1)N1CCOC[C@H]1c1ccc(F)c(F)c1,-0.5098028182983398
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)n1,-0.897717297077179
+O=C(C1CCC[NH2+]CC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2501786947250366
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3673901557922363
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n1,-1.1546423435211182
+CCCC[NH+]1CCOCC1,-2.002953290939331
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2654578685760498
+O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1934303045272827
+C[C@H](CNC(=O)c1ccc(O)nc1)c1ccc(F)c(Cl)c1,-0.871662974357605
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.4502907991409302
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Br)c1,-1.1079341173171997
+Cc1nc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)cs1,-1.2472635507583618
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5683742761611938
+Cc1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)nn1,-1.4377981424331665
+C[C@H]1CCC[NH+](CC(=O)NCc2cc3ccccc3[nH]2)C1,-1.41021728515625
+Cc1cccnc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0027672052383423
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2273828983306885
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1,-1.0638341903686523
+COc1ccc(C(C)NCc2ccc(Cl)cc2)cc1,-1.5628094673156738
+O=Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1,-1.1528335809707642
+COC1CCN(C(=O)[C@H]2CCCC[C@H]2c2ccc(F)cc2)CC1,-1.069504976272583
+Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.133081316947937
+C[NH+]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)C1,-0.6490238904953003
+O=C(CC[NH+]1CCOCC1)Nc1ccc(-c2ccccc2)cc1,-1.528920292854309
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0296533107757568
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0258766412734985
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1,-1.1932170391082764
+Cc1ccc(NC(=O)CSc2nc3ccccc3nc2O)cc1,-0.8592150211334229
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCCC2)C1,-1.446630597114563
+O=C(NCc1ccc(F)cc1)N1CC[C@@]2(CCC[NH2+]C2)C1,-1.5128343105316162
+CC(C)(NC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)[O-],-1.3130704164505005
+c1ccc(COc2nc3ccccc3cc2-c2ccccc2)cc1,-1.258071780204773
+C[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4F)CC3)C2)CC1,-0.790185809135437
+NC(=O)C1CCN(c2ccccc2)CC1,-1.6994374990463257
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7933059930801392
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1216336488723755
+O=C([C@H]1CCC2(CCCCCC2)O1)N1CCN(c2ccc(F)cc2)CC1,-1.0786956548690796
+O=C(NC1CCCCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.8358867764472961
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764818549156189
+COc1ccccc1N1CCN(Cc2ccc(C#N)cc2)CC1,-1.2669272422790527
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.1132785081863403
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2088109254837036
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764322400093079
+Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1Cl,-0.9459362030029297
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)cc1,-1.0823560953140259
+Cc1ccc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2c1,-0.6342486143112183
+O=C(Cc1ccccc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.474313497543335
+O=C(Nc1nnc(-c2ccco2)s1)c1ccc(I)c(F)c1,-0.7696411609649658
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.2937901020050049
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.672998309135437
+Cc1ccc(Cl)cc1C(=O)NC1CCC(c2ccccc2)CC1,-0.9435727000236511
+CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1,-0.8997344374656677
+Cc1cc(C(=O)NCCC(C)C)nn1-c1cccc(F)c1,-1.019336462020874
+O=C(NCc1ccccc1)c1ccc2c(c1)C21CCCC1,-1.3575571775436401
+Cc1ccccc1CN1CCN(C(=O)c2ccc(N)cc2)CC1,-1.067710280418396
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-1.0099749565124512
+CC(C)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.8206395506858826
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1032516956329346
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0005736351013184
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2787514925003052
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111683130264282
+OC1(NCc2ccccc2)CCN(c2cccc(F)c2)CC1,-1.514503836631775
+Cc1ccc(NCc2ccc(N)cc2)c(-c2ccccc2)c1,-1.257202386856079
+COCc1ccc(C(=O)N2CC[NH+](C)CC(C)(C)C2)cc1,-1.3759154081344604
+CS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1,-1.1153191328048706
+CCOc1ccc(OC(=O)c2ccc(Br)o2)cc1,-1.5504786968231201
+CCC1CCN(C(=O)Nc2ccccc2S(C)(=O)=O)CC1,-1.3872623443603516
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2713367938995361
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3C)cc2)cc1,-1.2812252044677734
+O=C(CSc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.0020254850387573
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1922965049743652
+C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1,-1.5117928981781006
+O=C(NC[C@@H]1CCCCO1)Nc1ccc(I)cc1,-1.5256476402282715
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0790059566497803
+C[C@@H]1CCCN(C(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)C1,-1.1833714246749878
+O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,-1.399010181427002
+Cc1ccc(C(=O)NC2CCN(c3csc(C)n3)CC2)s1,-0.8273923397064209
+CC1(O)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1,-1.5708463191986084
+Cc1ccc(Cl)cc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9536303281784058
+O=C1CN(C(=O)N2CCC(Cc3ccccc3)CC2)CCN1,-1.3650916814804077
+CC(C)(C)CC(=O)NCC(=O)Nc1ccc(F)cc1Br,-1.0920673608779907
+C[C@@H](C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1,-1.4663773775100708
+Nc1ccc(CNC(=O)Nc2ccccc2)nc1,-1.630918025970459
+Cc1ccc(CNC(=O)C(=O)N2CCC(C)CC2)cc1,-1.4358562231063843
+Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C)cc1,-0.850776731967926
+O=C(c1ccc(Cl)cc1)N1CCC([C@H](O)c2ccccc2)CC1,-1.0640274286270142
+O=C(Nc1ccc(F)cc1Cl)N1CCO[C@@H](c2ccccc2)C1,-1.0047489404678345
+O=C1CCN(Cc2ccccc2)CN1C(=O)c1ccccc1,-1.4981375932693481
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nc2)c(Cl)c1,-0.947268545627594
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2s1,-0.857372522354126
+Cc1cc(O)ccc1CNC(=O)CCc1ccc(Br)cc1,-1.243116021156311
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.067732810974121
+Fc1ccc(CN2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.2236217260360718
+CC1(C)CN(Cc2ccc(Oc3ccccc3)cc2)CCO1,-1.5779367685317993
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0301486253738403
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3632781505584717
+Fc1ccc(COc2cccc(-c3ccc(Cl)cc3)c2)cc1,-1.2040245532989502
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2[nH]1,-0.8727564215660095
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9810209274291992
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1,-1.011529564857483
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(Br)cc1,-0.9675654172897339
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.982793390750885
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8491222858428955
+Cc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)s1,-0.7170075178146362
+O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2s1,-0.7921637892723083
+NS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1173927783966064
+CC1(C)CCC(NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1,-1.1905646324157715
+CC(C)(Cc1ccccc1)C(=O)NCc1ccccc1Br,-1.4798457622528076
+CCC[NH+]1CCCC[C@@H]1CNC(=O)c1cccnc1Cl,-1.139198899269104
+O=C(N[C@H]1C[C@H](c2ccccc2)[C@@H]1C1CCC1)C1CCCCC1,-1.1470224857330322
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3905302286148071
+O=C(Nc1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1,-0.9041543006896973
+Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl,-1.2146263122558594
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8848146796226501
+O=C(c1cc(O)c2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5404481291770935
+c1ccc(CNC2CN(Cc3ccccc3)C2)cc1,-1.6761317253112793
+O=C(Nc1ccc([C@@H]2CCCO2)cc1)c1cc2ccccc2o1,-1.270687222480774
+CN1CC[C@H](NC(=O)C2CCN(c3ccccc3)CC2)C1=O,-1.1327012777328491
+C[C@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.3735157251358032
+Cc1nonc1CNC(=O)Nc1ccc(Br)cc1,-1.2884089946746826
+O=C(Nc1ccccc1O)c1ccccc1-c1ccc(F)cc1,-1.0749564170837402
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.060725212097168
+CC(=O)NC12CCO[C@@H]1CC[NH+](Cc1ccc(Cl)cc1)C2,-1.3584649562835693
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cn2)CC1,-1.0147706270217896
+O=C(Cc1nc2ccccc2[nH]1)NCc1cccc(Br)c1,-1.09502112865448
+O=C(NC1(c2ccc(F)cc2)COC1)c1ccc(F)cc1,-1.483797550201416
+Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.1874213218688965
+Cc1ccc(-c2ccc(NCc3ccc(I)cc3)cc2)cc1,-1.1732248067855835
+Cc1ccccc1CNC(=O)N1CCC[C@H](C2CCOCC2)C1,-1.2789803743362427
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cn1,-0.9974225163459778
+O=C(Nc1ccc(F)cc1O)N1CCN(c2ccccc2)CC1,-1.0948621034622192
+COCCNC(=O)N1CCN(c2ccccc2)C[C@H]1C,-1.5896897315979004
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0137553215026855
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.5177417993545532
+CC(C)N=C(O)CNC(=O)c1ccc(N2CCOCC2)cc1,-1.4152090549468994
+CCCOc1ccc(NCc2cccc(Br)c2)cc1,-1.5646181106567383
+O=C(Nc1ccc(O)cc1)N1CCN(CC(F)(F)F)CC1,-1.2099690437316895
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.2888697385787964
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1,-0.8753754496574402
+Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1,-0.7961611747741699
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.575008511543274
+O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.623528242111206
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1362735033035278
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4306432008743286
+Oc1ccc(COc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.4921464920043945
+O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(F)ccc2F)CC1,-0.4109784662723541
+Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)no1,-1.169765591621399
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1754220724105835
+CC(C)(C)C(=O)NCC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1,-1.2615044116973877
+O=C(NC[C@H]1CCC[NH+]2CCCC[C@@H]12)c1cc2cnccc2[nH]1,-0.8815098404884338
+O=C(NCC[NH+]1CCOCC1)c1cc(F)c2c(c1)CCO2,-1.2206751108169556
+Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1,-1.6284852027893066
+CC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1,-1.0599287748336792
+O=C(NCc1cccnc1)c1ccc(CCCO)cc1,-1.6019024848937988
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1200077533721924
+O=C(NCc1ccccc1)c1cc2c(s1)C1CCCC2C1,-0.9233436584472656
+CCN1CCN(C(=O)N2CC[NH2+]C[C@@H]2c2ccc(Cl)cc2)CC1,-0.8461487889289856
+CC(C)[NH+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1,-1.0455796718597412
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0309385061264038
+O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2n[nH]nc2c1,-0.7935541272163391
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9954999685287476
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4903016090393066
+Cc1ccc(-c2noc(COc3ccc(Cl)cc3F)n2)cc1,-0.917296826839447
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9522640109062195
+CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1,-1.5481358766555786
+O=C(Cc1ccccc1)N1CCNCC1,-1.773390769958496
+N#Cc1ccc(C(=O)CC(=O)NCC2CCCCC2)cc1,-1.4846906661987305
+O=C(c1ccc(Cl)cc1)N1CCC[C@@H]([C@H](O)c2ccccc2)C1,-1.0696895122528076
+O=C(NCC1CCCCCC1)N1CCOC2(CCCCCC2)C1,-1.6015210151672363
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.036294937133789
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0931849479675293
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0625076293945312
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1242904663085938
+Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795973777770996
+Cc1ccc(C(=O)N2CCCC3(CC3)C2)c(-c2ccc(Cl)cc2)n1,-0.7371281385421753
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0203588008880615
+Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1F,-0.7999805808067322
+O=C(CCc1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1,-1.226498007774353
+O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.1512172222137451
+Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n[nH]1,-0.9307681918144226
+CCCC(O)=Nc1ccc(Nc2ccc(F)cc2)c(-c2ccccc2)c1,-0.9966279864311218
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)n1,-1.0507711172103882
+COc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1,-1.2316858768463135
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4154998064041138
+CC1CC[NH+](C2CCN(C(=O)Nc3ncccc3F)CC2)CC1,-0.8511361479759216
+C[NH+]1CC[C@H](NC(=O)c2scnc2-c2ccc(Cl)cc2)C1,-0.8796018362045288
+Cc1nc(C2CCC(NC(=O)c3ccn(C)n3)CC2)no1,-1.0835087299346924
+[NH3+][C@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0917311906814575
+c1ccc(C[NH+]2CCC([NH+]3CCC[C@@H]3c3ccccc3)CC2)cc1,-1.3668582439422607
+C[C@@H]1CN(C(=O)CCCC(=O)NCc2ccccc2)CCO1,-1.6205650568008423
+Cc1nc(CC(=O)N2CCN(CC3CCCO3)CC2)cs1,-1.2285770177841187
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2Cl)CC1,-1.0619697570800781
+CCC(=O)Nc1ccc(N2CC[NH+](C(C)(C)C)CC2)cc1,-1.2689796686172485
+C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1,-1.4674173593521118
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3699711561203003
+O=C(c1ccc(F)cc1O)N1CCCC(CN2CCOCC2)C1,-1.101381778717041
+CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.5068559646606445
+Cc1ccc(-c2nsc(N3CCN(C(=O)C(C)(C)C)CC3)n2)cc1,-0.5549324750900269
+O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-0.9424792528152466
+O=C(c1ncccc1Br)N1CCOC[C@@H]1Cc1ccc(F)cc1,-0.8882991671562195
+Cc1cc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1Br,-0.9742292165756226
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)n1,-0.8744759559631348
+O=C1CN(c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1,-1.130381464958191
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846627950668335
+O=C(CNC(=O)c1cccs1)Nc1ccco1,-1.688720464706421
+COCCN1CCN(C(=O)Nc2ccccc2Br)CC1,-1.4382944107055664
+CN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,-1.4635281562805176
+O=C(c1ccc(Cl)cc1[O-])N1CC[NH+](C[C@@H]2CCCCO2)CC1,-1.0335865020751953
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.031633734703064
+O=C(c1ccc(F)cc1)N1CCC(Cc2ccccc2F)CC1,-0.9898649454116821
+O=C(c1ccccc1O)N1CCCCC1Cc1ccc(F)cc1,-1.0634666681289673
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-1.0583117008209229
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1266237497329712
+OC(CNCc1cccc(Cl)c1)=NCc1ccc(Cl)cc1,-1.2988271713256836
+Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(F)c1,-0.9601102471351624
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2136316299438477
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2991336584091187
+CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4418386220932007
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1658438444137573
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.8877755403518677
+C[C@@H]1C[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)[C@@H](C)CO1,-1.2093746662139893
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1cccc(F)c1,-1.2976489067077637
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1710926294326782
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9854245781898499
+COc1ccc(C(=O)NC2CCC3(CCCCCO3)CC2)cc1,-1.5103920698165894
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0644934177398682
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2517952919006348
+Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)no1,-1.1158820390701294
+O=C(NCc1ccc2nc(O)oc2c1)c1cccc(I)c1,-1.0118980407714844
+Cn1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1,-1.0412390232086182
+Nc1ccc(CNc2ccc(F)cc2)c(C(F)(F)F)c1,-0.9597479701042175
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(O)cc2)C1,-1.5091053247451782
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2Cl)CC1,-0.6005774736404419
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccn(-c2ccccc2)n1,-1.0738340616226196
+O=C(c1ccccc1)N1CCN(Cc2cccc(F)c2Cl)CC1,-1.0085771083831787
+CN1CC[NH+](Cc2ccccc2)[C@H](Cc2ccc(I)cc2)C1,-1.24232816696167
+CCc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9435148239135742
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.372352123260498
+Nc1cc(Cl)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.0266064405441284
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382832527160645
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.184580683708191
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0921381711959839
+Nc1ccc([C@H]2C[C@H](NC(=O)c3ccccc3O)CCO2)cc1,-1.1878819465637207
+COc1cc(Br)ccc1NC(=O)N1CC2(CCOCC2)C1,-1.2972159385681152
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9873777627944946
+CC(C)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.2699321508407593
+CCCc1ccc(CNCc2ccc(Cl)cc2)cc1,-1.5937944650650024
+Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0785853862762451
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1735284328460693
+O=C(CNC(=O)c1ccc(I)cc1)c1ccc(F)cc1,-1.165545105934143
+Cc1ccc(CNC(=O)c2cc3ccccc3s2)cc1Cl,-0.8849664926528931
+O=C(Cc1ccccc1Cl)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.1767245531082153
+CC1(O)CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.42310631275177
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(C)c1,-1.235300064086914
+CCc1ccc(NC(=O)Nc2n[nH]c(C)n2)cc1,-1.5109672546386719
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.5081738233566284
+C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0779149532318115
+c1ccc(Cn2nnnc2-c2ccc(-c3ccccc3)cc2)cc1,-1.0674736499786377
+O=C(NC1CCCC1)c1ccc2[nH]c(-c3ccccc3)nc2c1,-0.9979825615882874
+Cc1ccc(-c2ccccc2C(=O)Nc2ccccc2Cl)cc1,-0.9562507271766663
+Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1022573709487915
+O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.1939765214920044
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653639197349548
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9418241381645203
+CC(C)(O)CC(=O)NC1CC[NH+](CC2CCCCC2)CC1,-1.5728381872177124
+Cc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1Cl,-0.8028215765953064
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.096847414970398
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199315547943115
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915002584457397
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.2200713157653809
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5315860509872437
+CC(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[C@@H](C)C2)C1,-1.2222832441329956
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.9518222212791443
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9575046300888062
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(O)cc1,-1.2227959632873535
+O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@H]1O,-1.2070940732955933
+O=C(Nc1ccc(F)cc1F)N1CCOC[C@@H]1c1ccccc1,-1.0736385583877563
+c1ccc(-c2noc(CN3CCC(c4ccccc4)CC3)n2)cc1,-1.356248140335083
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5422658920288086
+CCCOc1ccc(CNc2ccc(Cl)cc2)cc1,-1.5849624872207642
+Cc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]C3)cc1,-1.2320408821105957
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9231234192848206
+O=C(Nc1ccc(-n2cccn2)cc1)c1cnc2ccccn12,-1.0377466678619385
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9207754731178284
+C[C@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(F)cc1,-1.2563834190368652
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.1196092367172241
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9435756206512451
+Cc1ccc(N2CCN(C(=O)NC(C)(C)CO)CC2)cc1,-1.4130488634109497
+O=C(NC1CCCOCC1)N1CCCC[C@H]1c1ccc(F)cc1,-1.3607429265975952
+O=C(Nc1csc(-c2ccccc2)n1)c1cc2ccccc2[nH]1,-1.1204233169555664
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9647170901298523
+CCNc1ccc(C(=O)N(C)c2ccccc2Br)cc1,-1.2651326656341553
+Cc1nn(C)c2ccc(C(=O)NCc3ccccc3)cc12,-1.0116102695465088
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3828235864639282
+O=C(Cc1ccccc1O)N1CC[NH+](Cc2cccnc2)CC1,-1.5002813339233398
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0435959100723267
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.987422525882721
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,-1.0442111492156982
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4486178159713745
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.2568758726119995
+Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)s1,-1.0101300477981567
+O=C(c1cc(O)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1548784971237183
+CCCc1ccccc1NC(=O)COc1ccccc1,-1.6292821168899536
+Cc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)nn1C,-0.884219229221344
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.103920340538025
+O=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1c1ccccc1,-0.7886754870414734
+CCc1ncsc1CNC(=O)c1ccc(N)cn1,-1.100210428237915
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0286363363265991
+O=C(N[C@H]1CC[C@@H](F)C1)c1scnc1-c1cccc(Cl)c1,-0.782787024974823
+Cc1ccc(NC(=O)NC[C@H]2CCCCO2)cc1,-1.6829628944396973
+Cc1ccc(N2CCC(COc3ccc(F)cc3)CC2)cc1,-1.4337446689605713
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc([O-])cc1,-1.5516564846038818
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCNC2=O)cc1,-1.0393567085266113
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5041295289993286
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6612260341644287
+CC1(C)CCCC[C@H]1NC(=O)COc1ccc(Br)cc1Cl,-0.9393796324729919
+Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)cn1,-0.8452695608139038
+N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1,-1.0848472118377686
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9829205870628357
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.010152816772461
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.267154574394226
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1714365482330322
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.888774037361145
+Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1O,-1.3641159534454346
+Cc1nnc(N2CC[C@@H](NC(=O)c3ccc(F)cc3)C2)s1,-0.80465167760849
+O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC1CC[NH2+]CC1,-0.9749407768249512
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1,-1.183502435684204
+O=C(Nc1ccc(Br)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.7782273888587952
+CC(C)[NH+]1CCN(C(=O)Nc2cc(Br)c([NH3+])cc2F)CC1,-0.676435649394989
+C[C@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.4183086156845093
+Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)cc1,-1.2341423034667969
+C[C@@H]1CN(c2ccc(CSc3ccccc3)cc2)C[C@H](C)O1,-1.4294536113739014
+CC(C)S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.4584993124008179
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1O,-0.8667649626731873
+O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1,-1.155443787574768
+COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.5788944959640503
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9591226577758789
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(I)cc1,-0.7781511545181274
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0864778757095337
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.7200000286102295
+Cc1c[nH]c2ccc(C(=O)NCc3ccc(Br)cc3)cc12,-0.9774945378303528
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1F,-0.8077234625816345
+Cc1ccc(N2CCN(C(=O)C[C@H](c3ccccc3)C(C)C)CC2)cc1,-0.9190005660057068
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@@H]1O,-1.046526551246643
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9530024528503418
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2cccc(Br)c2)C1,-0.9767225980758667
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2405704259872437
+Cc1ccc(-c2ccc(O)cc2)cc1OCc1ccccc1,-1.4164390563964844
+O=C(Cc1ccc(O)cc1)N[C@H]1CC[C@H]1c1ccccc1,-1.5111773014068604
+c1ccc(CC2CC[NH2+]CC2)cc1,-1.9154057502746582
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-1.0655101537704468
+O=C(NCCc1ccc(Br)cc1)N[C@H]1CC[NH2+]C1,-1.5408241748809814
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2781963348388672
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1618975400924683
+Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1,-1.356866478919983
+O=C(Cc1ccccc1Br)Nc1ccc(N2CCOCC2)cc1,-1.2513376474380493
+COc1cccc(CNc2ccc(C)c(OC)c2)c1,-1.5800451040267944
+O=C(c1ccccc1)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1,-1.4871134757995605
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-0.9812668561935425
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9735122919082642
+CC1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1,-1.0015976428985596
+Fc1ccc([C@@H]2COCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.1326555013656616
+CC(C)NC(=O)C[NH+]1CCN(c2ccc(F)cc2Cl)CC1,-0.9503858685493469
+O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9422872066497803
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.1396286487579346
+O=C(c1ccc(Nc2ccc(F)cc2Cl)cc1)N1CCCCC1,-0.8945286273956299
+O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0753995180130005
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Br,-0.8665153980255127
+O=C(NC1CC(F)(F)C1)c1cccc(N2CCOCC2)c1,-1.2636871337890625
+Cc1nc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8144500851631165
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)cn1,-0.9654097557067871
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437046647071838
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2766814231872559
+Cc1ccc(F)c(NC(=O)COc2ccc(Cl)cc2F)c1,-0.9165067076683044
+O=C(NC1CCC(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8734484314918518
+CC1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3037755489349365
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8754603266716003
+Cc1ccc(C[C@@H]2CCCCN2C(=O)c2ccccc2Cl)cc1,-1.0474786758422852
+COc1ccc(CNCc2cccc(C)c2O)cc1,-1.5586363077163696
+O=C(NC1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1,-1.2566266059875488
+CCCN=C(O)COc1ccc(N2CCN(C(C)C)CC2)cc1,-1.2799357175827026
+CCCCCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2)cc1,-1.3696606159210205
+O=C(NCCOc1ccccc1)N1CCCCCCC1,-1.6776036024093628
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2674705982208252
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060194969177246
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4458897113800049
+CC(C)(C)C(=O)NC1C[NH+](Cc2ccc(O)cc2)C1,-1.562076449394226
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1756137609481812
+Cc1ncsc1C1CCN(C(=O)Nc2ccc(F)cc2F)CC1,-0.6309700012207031
+O=C(NCCc1ccc(I)cc1)c1ccc2c(c1)CCN2,-1.0380630493164062
+NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.2807495594024658
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3613594770431519
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9604511260986328
+O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1[O-],-1.4252204895019531
+Oc1ccc(CN2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5662685632705688
+CC(=O)c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1,-1.0724881887435913
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1922008991241455
+NS(=O)(=O)c1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)s1,-0.9239804744720459
+Cc1ccc2scc(C(=O)NCc3cccc(Cl)c3)c2c1,-0.9131494760513306
+O=C(CCc1ccccc1)NCc1ccc2c(c1)CCN2,-1.5773500204086304
+CC(=O)Nc1ccc(C(=O)N2CCC3(CCC3)C2)cc1,-1.500093936920166
+CN1CCN(c2ccc(NC(=O)[C@H]3CCCCO3)cc2)C1=O,-1.384804129600525
+Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4741946458816528
+C[C@H]1C[C@H](CNC(=O)NC2CCCCC2)CCO1,-1.6697789430618286
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1ccc2n[nH]cc2c1,-1.0166120529174805
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1,-1.5568348169326782
+O=C(Cc1ccccc1)Nc1ccc(-c2ccc([O-])cc2)cc1,-1.5237096548080444
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8561505079269409
+O=C(Nc1ccccc1F)N1CCOC[C@H]1c1ccc(Cl)cc1,-1.0048551559448242
+Cc1cccc(CNC(=O)C[NH+]2CCOC3(CCC3)C2)c1,-1.594025731086731
+O=C(N[C@@H]1CC12CCC2)N1CCC[C@@H](c2ccccc2)C1,-1.3891266584396362
+Cc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1,-1.1174781322479248
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8282486200332642
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.13829505443573
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1047022342681885
+Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)nc1,-1.445186734199524
+Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-1.0641149282455444
+Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(N)cc2)c1,-1.4907854795455933
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.9647969007492065
+Cc1ccc(CCCCC(=O)N[C@@H]2CCC[NH+](C)C2)cc1,-1.5550388097763062
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.9454905390739441
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.690800428390503
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3776428699493408
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.022913932800293
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9553635716438293
+O=C1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.3315597772598267
+Fc1ccc(C2(NCc3ccc(Cl)cc3)CCOCC2)cc1,-1.3641616106033325
+CS(=O)(=O)CCNC(=O)N1CCC(c2ccccc2)CC1,-1.5281744003295898
+O=C1CN(C(=O)Nc2ccccc2N2CCOCC2)CCN1,-1.3675765991210938
+Cc1ccc(N2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-1.002367377281189
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.371728777885437
+O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1F,-0.9278151988983154
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1,-1.0166932344436646
+Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.1370712518692017
+Cc1ccc(NC(=O)NCCc2ccccc2)o1,-1.6978751420974731
+Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2nccnc12,-0.33428630232810974
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898494482040405
+O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CCN1,-1.379927158355713
+CC(C)C(=O)N1CCC(NC(=O)c2ccc(Br)cc2F)CC1,-0.6574206352233887
+O=C([O-])c1ccc(C[NH2+][C@@H]2CCC3(CCOCC3)C2)cc1,-1.5656064748764038
+C[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[C@H](C3CCCC3)C2)C1,-1.3497511148452759
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.9199775457382202
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3867853879928589
+COc1ccc(C2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1,-1.1249819993972778
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.021952509880066
+O=C(c1ccc(Cl)cc1)N1CCC(Nc2ccccc2F)CC1,-0.8991889357566833
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Cl)cc1,-1.0095643997192383
+c1ccc(N2CC[NH+](Cc3cccc(-n4cncn4)c3)CC2)cc1,-1.2391040325164795
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3325743675231934
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5482656955718994
+O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C1CCOCC1,-1.2308399677276611
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9594994187355042
+Cc1ccc(NC(=O)C2CCN(CC(=O)O)CC2)cc1,-1.545939564704895
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.1339937448501587
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.2164825201034546
+Cc1ccc(CNC(=O)N2Cc3ccc(Cl)cc3C2)cc1,-1.0387828350067139
+Nc1ccccc1-c1ccc(C(=O)Nc2ccc(O)cc2)cc1,-1.1424821615219116
+Cc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3F)CCO2)cc1,-1.1390910148620605
+CC(C)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.5890920162200928
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4758696556091309
+Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0416631698608398
+O=C(Nc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1,-0.8014172911643982
+Cc1ccc(NCC(=O)Nc2nc3ccccc3s2)cc1,-1.1705104112625122
+Fc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.0651015043258667
+Cc1ccc(C2CCCCC2)cc1NC(=O)c1ccc(F)cc1,-1.00358247756958
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.5360559225082397
+CC(C)[C@H]([NH3+])C(=O)N1CCC(OCc2ccccc2)CC1,-1.489782452583313
+CN(C(=O)NCc1ccc(O)cc1)C1CCCC1,-1.6172090768814087
+CC(C)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1206845045089722
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975666165351868
+O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccccn12,-1.1059157848358154
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1,-0.8639817237854004
+CC(C)CC(=O)N1CCC(NCc2ccc(Br)cc2)CC1,-1.2586580514907837
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2988646030426025
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1Cl,-0.8852822780609131
+Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1,-1.358553409576416
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0109305381774902
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0841079950332642
+O=C(Nc1cccc(O)c1)c1ccc(N2CCCC2=O)cc1,-1.2759296894073486
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5311704874038696
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccccc2Br)CC1,-0.823395311832428
+Fc1cccc(F)c1-c1nc(COc2ccc(Br)cc2)no1,-0.8642187118530273
+O=C(NCc1ccccc1)Nc1ccc(F)nc1,-1.6315068006515503
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cn1,-0.997142493724823
+O=C(Nc1cccc(Cl)c1)C1(c2ccc(Cl)cc2)CCC1,-1.201548457145691
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(I)c1,-1.420781135559082
+O=C(Cc1ccccc1)N[C@H]1C[C@H](c2ccc(O)cc2)C1,-1.5296902656555176
+O=C(N[C@H]1CC[C@H](F)C1)c1c[nH]nc1-c1ccc(Cl)cc1,-0.8334342241287231
+Cc1ccc2cc(NC(=O)COC3CCCC3)ccc2n1,-1.2816218137741089
+CC1(C)CN(C(=O)NC2CCC(c3ccccc3)CC2)C1,-1.3867695331573486
+C[NH+]1CCN(c2ccc(CC(=O)Nc3ccccc3)cc2)CC1,-1.5188785791397095
+Cc1ccc(NCc2ccc(F)cc2)c(N2CCCCC2)c1,-1.1630268096923828
+Cc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.1643317937850952
+OC(CCc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1)=Nc1nccs1,-0.9472883939743042
+C[C@@H]1CCCC[NH+](CCNC(=O)Cc2ccc(Br)cc2)C1,-1.4076449871063232
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1cccc([O-])c1,-1.376233696937561
+Cc1ccc(CNC(=O)CN2CC[C@@H](C)CC2=O)cc1,-1.5650888681411743
+C[C@H]1CCCCN1C(=O)N[C@]1(C)CCCN(c2ccccc2)C1,-1.2481083869934082
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.059928297996521
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.380813479423523
+COC(=O)C1(C)CCN(CCc2ccc(F)c(F)c2)CC1,-1.2627652883529663
+COc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.2334293127059937
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3763806819915771
+O=C(Nc1cccc(O)c1)N[C@@H]1CCC2(CCOCC2)C1,-1.615537405014038
+COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1,-1.0259419679641724
+Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1C,-1.20139479637146
+Cc1cccnc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9103467464447021
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1524871587753296
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Br)cc2)CC1,-0.8289730548858643
+c1ccccc1,-2.216958999633789
+Cc1ccc(N2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-0.9977654814720154
+C[NH+]1CC[C@@]2(CCCN(C(=O)NCC3CCOCC3)C2)C1,-1.5465208292007446
+O=C(c1cc2ccccc2o1)N1CC[NH+](Cc2ccco2)CC1,-1.2828165292739868
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0354068279266357
+O=C(NCC(F)(F)F)N1CCN(c2ccc(Br)cc2)CC1,-0.8758653402328491
+Cc1ccc(N2CCCCC2)c(NCc2ccc(Cl)cc2)c1,-1.2274646759033203
+Cc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1C,-1.1847785711288452
+Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,-1.4637943506240845
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708610892295837
+CC(C)(C)Cc1ccc(Cl)cc1,-1.772559642791748
+Cc1ccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)cc1,-0.9272796511650085
+Cc1cccnc1-c1ccc(C(=O)N[C@H]2CCC[C@@H](F)C2)cc1,-0.9068636298179626
+Cc1cc(O)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.3029978275299072
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.154342770576477
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1977360248565674
+O=C(NC1CCC(F)(F)CC1)c1ccc(-c2ccccc2)cc1,-1.1419380903244019
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9675425291061401
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.1784170866012573
+C[NH+]1CCC(C(=O)NC2CC(c3ccc(Br)cc3)C2)CC1,-1.0132173299789429
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.447197675704956
+COc1ccc(CNC(=O)c2cc(Cl)no2)cc1,-1.5895110368728638
+COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.42912757396698
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210032820701599
+Fc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1Br,-0.9784997701644897
+C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9243994355201721
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.918127715587616
+O=C(O)c1ccc(CSCc2ccccc2)cc1,-1.6406561136245728
+CC(C)N1CCN(C(=O)c2cccc(N3CCOCC3)c2)CC1,-1.2047783136367798
+O=C1CC(=O)N1c1ccc(OCc2ccccc2)cc1,-1.6215208768844604
+Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.3899677991867065
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.0947802066802979
+CC(C)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.1512936353683472
+C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2nncn2C)CC1,-1.0939695835113525
+O=C(Nc1ccc(-c2ccccc2)cc1)C1CC12CCCCC2,-1.3852417469024658
+OC(CNCc1ccccc1)COc1ccccc1,-1.7249186038970947
+Cc1ccc(CNC(=O)NC2CCCCC2)nc1,-1.6238468885421753
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.1374813318252563
+CC[NH+]1CCN(C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.0729924440383911
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.3016233444213867
+COC[C@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1,-1.6120623350143433
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2O)CC1,-1.1407266855239868
+C[C@@H]1CCCC[C@@H]1NC(=O)NCCO,-1.7778406143188477
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9903272390365601
+CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.1309596300125122
+c1ccc(Cc2noc(-c3ccccc3-c3ccccc3)n2)cc1,-1.2011945247650146
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.3788869380950928
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(F)c1,-1.326243281364441
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[NH+](C)C3)cc2)CC1,-1.1538186073303223
+O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.2386022806167603
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9495287537574768
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898239970207214
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]cnc2c1,-0.9919105172157288
+Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F,-1.4379160404205322
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9068370461463928
+Oc1ccc(-c2ccccc2)c(OCc2ccc(Cl)cc2)c1,-1.2666624784469604
+Cc1ccc(C2CC(NC(=O)c3ccc(Br)cc3)C2)cc1,-1.1714956760406494
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)n[nH]1,-1.0124279260635376
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3077428340911865
+Cc1cccc(C(=O)N2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c1,-1.2309647798538208
+[NH3+]CC1(O)CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1,-1.4631043672561646
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4244544506072998
+C[C@@H]1C[NH+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1,-1.5170985460281372
+O=C([O-])c1ccc(NC(=O)c2ccc3ccccc3n2)cc1,-1.0784305334091187
+CC(C)(N)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.49886155128479
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.087172031402588
+Cc1ccc(OCCOCCN2CCOCC2)cc1,-1.710179090499878
+CN(CCc1ccc(O)cc1)C(=O)Cc1cccc(O)c1,-1.527420997619629
+O=C(Nc1ncccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,-0.7300764918327332
+C[C@H](NC(=O)c1cccc(F)c1)[C@@H](C)c1ccc(Br)cc1,-0.9444210529327393
+CCCCNC(=O)c1ccc(Cc2ccccc2)cc1,-1.6662871837615967
+Cc1cc(C(=O)N2CCCC2C(O)=NCc2ccccc2)ccc1Cl,-0.8197271823883057
+O=C(Nc1ccc(O)cc1)N1CCCC[C@@H]1c1ccccc1Cl,-0.9938929677009583
+O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2ccccc2)CC1,-1.1490873098373413
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.194517970085144
+Nc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9205586314201355
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@@H]2CCCCC2=O)cc1,-1.0912493467330933
+CC1CC[NH+](Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1,-1.448436975479126
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2188409566879272
+COc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1,-1.5368539094924927
+OC(COc1ccc(-c2nn[nH]n2)cc1)=NCc1ccccc1,-1.3147181272506714
+Cc1ccccc1C(C)(C)CN1CCN(Cc2ccccc2)CC1,-1.3134793043136597
+O=C(N1CCc2ccc(F)cc2C1)N1CCCC[C@H]1c1ccc(F)cc1,-0.5577950477600098
+O=C(NC1CCN(c2ccccc2Br)CC1)c1ccc(F)cc1,-0.877119243144989
+Cc1cc(C(=O)N2CC[C@@](O)(Cc3ccccc3)C2)cs1,-1.5095279216766357
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2090978622436523
+O=C(NCc1ccc(F)c(F)c1)N1CCc2sccc2C1,-0.7650820016860962
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1680620908737183
+Cc1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)ccc1Cl,-0.9302404522895813
+CC1Cc2cc(CNCc3ccc(F)cc3)ccc2O1,-1.476339340209961
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.031712293624878
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.299267053604126
+O=C(Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F,-0.4803197979927063
+O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)cc1,-1.0803543329238892
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9011746644973755
+C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)CC1,-1.0046647787094116
+Cc1nc(CNC(=O)Cc2ccc(Cl)c(Br)c2)cs1,-0.9187179803848267
+Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc2n1,-0.5742955207824707
+CC(C)(O)CC(=O)Nc1ccccc1C[NH+]1CCOCC1,-1.5894110202789307
+O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1F,-0.9342750906944275
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)n[nH]1,-1.1325234174728394
+Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.303627371788025
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0372084379196167
+O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9566208720207214
+O=C(Nc1ncccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.7720310091972351
+COc1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1C,-1.0105013847351074
+C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2)C1,-1.2068779468536377
+O=C(Nc1ccc(N2CCOCC2)cc1)C(O)=Nc1cccc(O)c1,-1.2545955181121826
+O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.9009420871734619
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.038382887840271
+CC(=O)C(=O)NC1CCN(Cc2ccc(O)cc2)CC1,-1.5456022024154663
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1060250997543335
+Cc1ccccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1,-1.1528077125549316
+Oc1nc(COc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.0800741910934448
+NS(=O)(=O)c1ccc(C(=O)NCC2CCCC2)cc1,-1.5648900270462036
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4543391466140747
+Clc1ccc(OCc2cnc(-c3ccc(Br)cc3)nc2)cc1,-0.9295370578765869
+Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.0568503141403198
+Cc1cccc(C(=O)N2CCC([NH+]3CCc4cc(F)ccc4C3)CC2)c1,-0.5993102192878723
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.1775400638580322
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CC(C2CC2)C1,-1.3133926391601562
+CC(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-1.5067514181137085
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.126223087310791
+c1ccc(C[NH+]2CCN(c3nnc(-c4ccccc4)o3)CC2)cc1,-1.2669801712036133
+Cc1cc2cc(CNC(=O)Cc3ccccc3)ccc2[nH]1,-1.4570057392120361
+COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1,-1.0266765356063843
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2238200902938843
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1205649375915527
+O=C1Cc2cc(C(=O)NCc3ccccn3)ccc2N1,-1.3044577836990356
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.475927472114563
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1813359260559082
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(Br)cc2[nH]1,-0.8528673648834229
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212518334388733
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9414830803871155
+C[C@@H]1CN(c2ccc(Cl)cc2)CC[C@H]1NC(=O)[C@H]1CCCCO1,-0.966953456401825
+Cc1cnc(CNC(=O)c2ccc3c(c2)CCCCC3)o1,-1.186952829360962
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.0634609460830688
+C[NH+]1CCC[C@@H](C[NH+]2CCC(O)(Cc3ccccc3)CC2)C1,-1.5547423362731934
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.9495177865028381
+O=C(c1ccc2c(c1)CCCCC2)N1CCN(c2cccc(F)c2)CC1,-0.6881242394447327
+COc1cccc(CNC(=O)c2cc(Br)co2)c1,-1.5280317068099976
+Cn1cc(NC(=O)[C@H]2CCOC2)c(-c2cccc(Cl)c2)n1,-1.0228486061096191
+C[C@@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C1,-1.375520944595337
+Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(F)c1,-0.8721275925636292
+C[C@@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccccc2F)cc1,-1.0026967525482178
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9666922688484192
+O=C(Nc1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1,-1.320535659790039
+C[C@H](CCNC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-],-1.4332069158554077
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9663792848587036
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2F)C1)c1ccccc1,-0.9726681113243103
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.387370228767395
+Cc1ccc(NCc2ccc(-c3ccccc3)nc2)cc1C,-1.2087949514389038
+C[NH+]1CCN(c2ccccc2C(=O)NCC(C)(C)O)CC1,-1.4647877216339111
+COc1ccc(C(=O)Nc2ccc3c(c2)CCNC3=O)cc1,-1.057784914970398
+O=C(Nc1ccc([C@@H]2CCCCO2)cc1)c1ccc(F)cc1O,-1.1399483680725098
+Nc1ccc(C(=O)N2CCC(c3nc(O)c4ccccc4n3)CC2)cc1,-0.461667001247406
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.1105084419250488
+O=C(NCc1cccc(F)c1)N1CCO[C@]2(CCOC2)C1,-1.5690152645111084
+C[C@@H]1CN(Cc2ccc(Nc3ccccc3)cc2)C[C@H](C)O1,-1.5169775485992432
+Cc1cc(-c2ccccc2)nc(NCc2ccc(Br)cc2)n1,-0.9039136171340942
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5582773685455322
+Cc1cc(F)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(F)c1,-0.46122774481773376
+Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1,-1.0391545295715332
+CN1CCN(Cc2ccc(Oc3ccc(N)cc3)cc2)CC1,-1.531288981437683
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4285887479782104
+CC(C)(C)OC(=O)N1CCCC(C(O)=NN=C(O)C2CCCC2)C1,-1.409044861793518
+O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.088501214981079
+CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2O)CC1,-0.9545490145683289
+COc1cccc(C(=O)NCc2csc(C)n2)c1,-1.5800405740737915
+O=CNCC1CCCCC1,-1.9942450523376465
+CC(O)(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1,-1.53244948387146
+Cc1ccsc1C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1,-0.8996431231498718
+Cc1cc(C(=O)NCC(=O)c2cccs2)c2ccccc2n1,-0.8921816349029541
+O=C(NCC[NH+]1CCCC1)Nc1ccc(Cl)cc1,-1.6095224618911743
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Br)cc2)CC1,-1.1627602577209473
+C[C@H]1CCC[NH+]([C@H]2CCN(C(=O)Nc3cnn(C)c3)C2)C1,-1.1046547889709473
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cn3)CC2)cc1,-1.1591253280639648
+C[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1391150951385498
+C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C)cc2)CC1,-1.3090208768844604
+Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3)[nH]c2c1,-0.8433155417442322
+CC(C)c1ccc(NC(=O)Cc2ccc(Br)cc2Cl)cc1,-0.8532691597938538
+CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1,-1.0855154991149902
+O=C(O)COc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,-1.4737590551376343
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2837579250335693
+Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(Br)cc2)n1,-1.0114789009094238
+CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5041277408599854
+Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.347282886505127
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617176651954651
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1474472284317017
+CC(C)COc1ccc(OCc2ccccc2)cc1,-1.67872953414917
+C[C@@H]1C[NH+](Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.3970459699630737
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.299586534500122
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0308666229248047
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.988691508769989
+CC(C)Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.5411728620529175
+CC1(C)CC(C(=O)NCC2CCOC3(CCC3)C2)C1,-1.6083098649978638
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0971318483352661
+Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.246638298034668
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC(=O)C2)cc1,-1.2870559692382812
+O=C(NC1CCCCCC1)N1CCCC[C@@H]1c1ccc(F)cc1,-1.2664082050323486
+C[NH+]1CCC[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)C1,-1.0329183340072632
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.1400806903839111
+O=C(Nc1ccc(Cl)c(F)c1)N[C@H]1CCC12CCOCC2,-1.1318415403366089
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4192897081375122
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)s1,-1.1125178337097168
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2443222999572754
+NC(=O)NC1CCN(C(=O)Cc2ccc(O)cc2)CC1,-1.4892351627349854
+O=C(NCc1ccc(F)cc1Br)C1(CO)CCC1,-1.333524227142334
+O=C(Nc1cc(Br)ccc1F)c1ccc(N2CCOCC2)cc1,-0.9394237995147705
+Cc1ccc(CNC(=O)c2ccc3scnc3c2)cc1N,-0.890232264995575
+O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(F)cc2F)C1,-1.0810390710830688
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1945172548294067
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.512006163597107
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485514521598816
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.1403621435165405
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6388019323349
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112739324569702
+Cc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)cc1Cl,-0.8973159790039062
+Cc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)C(C)C)CC1,-0.7479256391525269
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2356644868850708
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1,-1.2661941051483154
+O=C(Nc1ccc(O)cc1Cl)[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9420934319496155
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cn1,-1.3806953430175781
+O=C(CCc1ccccn1)Nc1ccc(N2CCOCC2)cc1,-1.4980099201202393
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706568956375122
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9886707067489624
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.670585036277771
+CN(C)c1cccc(NC(=O)c2ccc3c(c2)CCN3)c1,-1.1966687440872192
+Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)c1,-1.117263674736023
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1,-1.1481897830963135
+Cc1ccc(-c2nc(COc3ccc(C)cc3C)no2)cc1,-1.0851155519485474
+O=C(NCc1ccc(O)cc1)NC1CCCCC1,-1.6686553955078125
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1,-1.1526185274124146
+C[C@@H]1C[NH+]([C@H](C)C(=O)NCCc2ccc(Br)cc2)CCO1,-1.4363692998886108
+C[C@H]1C[NH+](CC(=O)Nc2ccccc2)CC[C@@H]1c1ccccc1,-1.4302715063095093
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9814521670341492
+O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.3640053272247314
+O=C(NCc1ccc(CCCO)cc1)N1CCOCC1,-1.6315252780914307
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.2037758827209473
+Cn1cc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.0665202140808105
+O=C(CNC1CCCCC1)NCc1ccccc1,-1.7104401588439941
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.8988600373268127
+O=C(c1ccc(Nc2nc3ccccc3[nH]2)cc1)N1CCCC1,-1.038863182067871
+O=C(C[C@@H]1COc2ccccc21)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9014688730239868
+CC1(C)CC[C@H](CNC(=O)c2ccc(Cl)c(N)c2)C1,-1.0851709842681885
+CCC[C@H]1CCCCN1C(=O)Nc1ccc2ncc(C)nc2c1,-0.7954859733581543
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(I)cc1,-1.1742051839828491
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212496042251587
+Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C,-0.70658278465271
+O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0926746129989624
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)cc1,-1.1772451400756836
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0038994550704956
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382962465286255
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)nc2)cc1,-1.1302436590194702
+O=C(c1cc2ccccc2o1)N1CC[NH+](C[C@@H]2CCOC2)CC1,-1.275417685508728
+Cc1cccc(CN2CCN(C(=O)c3ccccc3C)CC2)c1,-1.2913738489151
+Cc1cc(C(=O)Nc2ccnn2C2CCCCC2)nn1C,-0.9178926944732666
+O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.3142346143722534
+Cc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)n1,-0.9878857135772705
+Cc1ccc(NC(c2ccccc2)c2ccc(Cl)cc2)cc1,-1.2564698457717896
+CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1,-1.0692991018295288
+CN1CCCc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21,-0.44878262281417847
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1564884185791016
+Cc1cccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)c1,-1.076046347618103
+O=C(c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1,-1.0705713033676147
+O=C(Nc1ccc(Br)cc1)C1CCN(c2ccccc2S)CC1,-0.8759618401527405
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9890472292900085
+Cc1nnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1,-0.7123951315879822
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9580960869789124
+CN(Cc1ccccc1)c1nnc(S)n1-c1ccc(Cl)cc1,-0.8279365301132202
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1,-1.430059552192688
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.9056007862091064
+CCc1ccc(NC(=O)N2CCCOC3(CCOCC3)C2)cc1,-1.5335156917572021
+O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.3256341218948364
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccnc12,-0.4684969186782837
+CN1CC[C@@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1=O,-1.0872896909713745
+Cc1nn(C)cc1C(=O)Nc1ccc(-c2ccccc2F)cc1,-0.9072826504707336
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2cccc(F)c2)o1,-1.4387776851654053
+CC[C@@H](C)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0280038118362427
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2188371419906616
+O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC12CC[NH2+]CC2,-1.3709044456481934
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.158443808555603
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.9639517664909363
+Cc1ccccc1C(=O)N1C[C@@H](C)OC[C@@H]1Cc1ccccc1,-1.2695623636245728
+NC(=O)c1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1,-1.064300775527954
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1372361183166504
+Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2ccccc2)C1,-1.1807432174682617
+C[C@H]1CN(C(=O)NC2CC(c3ccccc3)C2)CC[C@@H]1O,-1.4065040349960327
+C[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])C(=O)NCc1ccccc1,-1.380016803741455
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4343794584274292
+OC1(c2ccccc2)CCC(NCc2ccc(Cl)cc2)CC1,-1.5145951509475708
+Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4543980360031128
+Cc1cc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)c(C)o1,-1.2777280807495117
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cn1,-0.9288759827613831
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5314823389053345
+O=C(CCOc1ccccc1F)NCc1ccccc1,-1.614953637123108
+Oc1ccc(-c2ccc(OCc3ccc(Br)cc3)cc2)cc1,-1.2882739305496216
+O=C(Nc1cc2ccccc2o1)N1CC[C@H]([NH+]2CCCCC2)C1,-1.2392759323120117
+O=C(Nc1ccccc1)N1CCN(c2ccccc2)C(=O)C1,-1.4678881168365479
+c1ccc(-c2noc(CN3CCC(N4CCOCC4)CC3)n2)cc1,-1.2449103593826294
+Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2956175804138184
+O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1,-1.4476741552352905
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4148885011672974
+c1ccc(COc2nc3ccccc3nc2-c2ccccc2)cc1,-1.0455771684646606
+COc1ccc(N)cc1C(=O)N1CCN(c2ccccc2)CC1,-1.1868813037872314
+C[NH+]1CCN(c2ccc(Cl)c(NC(=O)c3ccccc3)c2)CC1,-0.9837455153465271
+O=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.7022738456726074
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3534843921661377
+Cc1cc(=O)n(C)c(CNC(=O)c2cccc(Cl)c2)n1,-0.8369430303573608
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080647945404053
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5312713384628296
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.023398518562317
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9674292802810669
+Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1,-1.1206815242767334
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2167563438415527
+C[C@@H]1CN(C(=O)Nc2cccc(N3CCCC3=O)c2)CCO1,-1.317392110824585
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1,-1.3123582601547241
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1N,-1.076996922492981
+O=C1Cc2cc(C(=O)OCc3ccccc3)ccc2N1,-1.5309813022613525
+O=C1C(Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.304660677909851
+O=C(NCc1ccc(O)cn1)c1ccc2c(c1)CCCC2,-1.150322437286377
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.3236594200134277
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9638574123382568
+O=C1CCCN1Cc1ccccc1,-1.8505055904388428
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1,-1.3502404689788818
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0955452919006348
+O=C(NCc1cccc(F)c1F)c1ccc2c(c1)CCO2,-0.939592182636261
+CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1,-1.6800609827041626
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0796974897384644
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3N)cc2)cc1,-1.1158862113952637
+C[NH+]1CCN(c2ccc(CNc3ccc(I)cc3)cc2)CC1,-1.160310983657837
+CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccc3)C2)CC1,-1.0683258771896362
+Cn1cc(C(=O)NCCOc2ccccc2)cn1,-1.676679015159607
+Cc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)n1,-1.3297784328460693
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3C)CC2)cc1,-1.2123222351074219
+O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-n2cccn2)cc1,-1.1139730215072632
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3183977603912354
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9349253177642822
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2O)CC1,-1.233505129814148
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.1499310731887817
+O=C(c1ccc(F)c2ncccc12)N1CCN(c2cccc(F)c2)CC1,-0.3966620862483978
+Nc1ccc(C(=O)NC2CCC(c3ccccc3F)CC2)cn1,-0.8708066344261169
+Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4764430522918701
+O=C(NC1CC(O)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1,-1.2852216958999634
+O=C(Cc1ccc(Cl)cn1)Nc1cccc(N2CCOCC2)c1,-1.171040415763855
+c1ccc(-c2nsc(NCc3ccc4c(c3)OCO4)n2)cc1,-1.0157674551010132
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9634767770767212
+Nc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.3656730651855469
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3477932214736938
+COc1ccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1,-1.2905625104904175
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.3963346481323242
+O=C(COc1ccccc1)OCc1ccccc1,-1.7575435638427734
+Cc1ccc(COC(=O)c2cc3ccc(N)cc3o2)cc1,-1.2688887119293213
+Cc1cc(CNC(=O)N2CCC(C)(C)C2)ccc1Cl,-1.1475883722305298
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2544089555740356
+O=C(N[C@@H]1CN(c2ccccc2)CC1=O)c1ccc(Br)cc1,-1.1024929285049438
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1737507581710815
+CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1,-1.4272111654281616
+Cc1ccc(CNC(=O)C[NH+]2CCC[C@@H]3CCC[C@H]32)cc1,-1.33086359500885
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-1.0538489818572998
+CN1CCCc2cc(N3CCN(C(=O)c4ccc(O)cc4)CC3)ccc21,-0.6483066082000732
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4990445375442505
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2cccs2)cc1O,-1.2056920528411865
+O=C(N[C@H]1COCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.1217025518417358
+Cc1ccc(C(N)=O)cc1,-1.9153958559036255
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.454586386680603
+Fc1ccc(N2CCC[C@H](COc3ccc(Cl)cc3)C2)nc1,-1.0616017580032349
+C[C@@H](NC(=O)N1CCC[C@@H]1C1CCOCC1)c1ccc(Br)cc1,-0.9873156547546387
+Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1,-1.0274889469146729
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056520700454712
+Cc1ccc(C)c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)c1,-1.0510954856872559
+Cc1ccc(CNC2CCN(c3ccccc3)CC2)cc1F,-1.1671003103256226
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1Cl,-1.0634980201721191
+O=C(c1ccccc1Cl)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.8548035025596619
+CC(C)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0744484663009644
+CC[C@@H](C)[C@H](O)C(=O)NC1CC[NH+](CC2CCCC2)CC1,-1.4656522274017334
+CC1CCN(C(=O)C(=O)NCc2cccc(O)c2)CC1,-1.4480469226837158
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.465243935585022
+O=C(NC1CCCCC1)N1CCN(c2cccc(F)c2O)CC1,-0.961164653301239
+C[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1,-1.5064301490783691
+C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1,-0.9386117458343506
+O=C(c1ccc(I)cc1)N1CCN(CCc2ccccc2)CC1,-1.1954469680786133
+O=C(Cc1ccccc1F)N[C@H]1CCCN(c2ccccc2)C1,-1.2782965898513794
+Cn1cc(NC(=O)[C@H]2CCCN2c2cccc(Br)c2)cn1,-1.0860317945480347
+O=C(NC1CC(c2cccc(F)c2)C1)c1cccc(Br)c1,-0.9740219712257385
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2006503343582153
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1C(F)(F)F,-0.8888812065124512
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6110161542892456
+CC(C)N=C(O)CNc1ccc(OC(C)C(=N)O)cc1,-1.601921558380127
+c1ccc(CN2CCC(NCc3ccco3)C2)cc1,-1.6677080392837524
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9925469160079956
+CC(=O)Nc1ccc(COc2ccccc2)cc1,-1.6984702348709106
+CC(C)(C(=O)NCc1ccc(Br)cc1O)C1CCOCC1,-1.1376196146011353
+C[C@]1(c2ccc(F)cc2)CCN(C(=O)NC2CCCC2)C1,-1.386904001235962
+O=C(CCC1CCCCC1)NC1CC[NH+](C2CCOCC2)CC1,-1.4954957962036133
+CCc1nc(C(=O)NCc2ccc(C)cc2)co1,-1.6013665199279785
+O=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1CCC[C@@H](O)C1,-1.010005235671997
+C[NH+]1CCN(C(=O)Nc2ccccc2CC(C)(C)O)CC1,-1.5146260261535645
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9950270652770996
+O=S(=O)(NCCc1ccccc1)c1cc(F)ccc1F,-1.5457167625427246
+CN1CCC(CN2CCN(Cc3ccc(F)cc3)CC2)CC1,-1.2622286081314087
+CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0718547105789185
+O=C1CCC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)N1,-1.3419731855392456
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9073975682258606
+C[C@@]1(O)CCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1,-1.533333659172058
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671281814575195
+C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.2917656898498535
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.2211495637893677
+Cc1nc(Cl)ccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-0.8556929230690002
+CC(C)Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1,-0.9937049150466919
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9533343315124512
+COc1ccccc1C(=O)N1CCN(c2ccc(N)cn2)CC1,-0.9843981266021729
+C[C@H]1CCC[NH+](CC(=O)NC[C@H](C)c2ccc(Br)cc2)C1,-1.3169171810150146
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.9000211954116821
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698401927947998
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1045767068862915
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.275088906288147
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0258585214614868
+O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4714933633804321
+Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2ccccc2)c(O)c1,-1.1021311283111572
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)o1,-1.2859020233154297
+O=C(NC[C@H](O)Cc1ccc(I)cc1)c1ccc(F)cc1,-1.387062907218933
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.2759580612182617
+Nc1ccc(NC(=O)NCc2ccccc2)nc1,-1.6381202936172485
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5251559019088745
+C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2070410251617432
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.5320377349853516
+O=C(NCC(F)(F)F)N1CCCC[C@H]1c1ccc(Br)cc1,-0.9251330494880676
+O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1O,-1.4470301866531372
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1,-0.9391392469406128
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975738286972046
+CC(C)[C@H](O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5186630487442017
+CC(C)[C@H](C)C(=O)N1CCC(OCc2ccccc2)CC1,-1.481960415840149
+CC(C)(C)CNC(=O)c1ccc(N2CCCC2=O)cc1,-1.3496501445770264
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)nc2)cc1,-1.4143015146255493
+O=C(Nc1cc(N2CCCCC2)ccc1O)c1ccc(Cl)cc1,-1.007920742034912
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2986702919006348
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccsc2)CC1,-1.4335381984710693
+CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)nc1,-0.9037764668464661
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9677807092666626
+C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H](C)O1,-1.4576103687286377
+CCCOc1ccc(NC(=O)C[NH+]2CCOCC2)cc1,-1.6501909494400024
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701685309410095
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2535486221313477
+O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2ncoc2c1,-1.0008834600448608
+c1ccc(CN2CCN(c3ccccc3)CC2)cc1,-1.6427565813064575
+c1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1,-1.4098190069198608
+Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.1795717477798462
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.4640154838562012
+Cc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1,-1.1040979623794556
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3471657037734985
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.186782956123352
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2136449813842773
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464800596237183
+CC1CN(c2cccc(COc3ccccc3)c2)CC(C)O1,-1.51188063621521
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758771061897278
+CC(C)[C@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.2451050281524658
+O=C(C[NH+]1CCc2ccccc2CC1)NCc1ccc(F)cc1,-1.2015233039855957
+O=C(N[C@H]1CCC[C@@H](O)C1)N1CCC(c2ccccc2Cl)CC1,-0.966706395149231
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4493035078048706
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(O)cc2)cc1,-1.1869157552719116
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.8875176906585693
+Cc1cccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)c1,-1.2136750221252441
+Nc1c(Cl)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9472593665122986
+Cc1cc(Br)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.091199278831482
+O=C(c1ccncc1)N1CCC(Oc2ccc(F)cc2Cl)CC1,-0.9407170414924622
+O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]ncc2c1,-0.9039272665977478
+O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1,-1.3516143560409546
+CC1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C1,-1.0464038848876953
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-0.9467719793319702
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.0355335474014282
+O=C(NC[C@H]1C[C@@H]1C1CCOCC1)c1ccc(F)c(F)c1,-1.0271198749542236
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9675455093383789
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133431196212769
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)o1,-1.0870685577392578
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-],-1.0472240447998047
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4317597150802612
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.394639492034912
+Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl,-0.9956451058387756
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1,-1.0997538566589355
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccnc1F,-0.9608006477355957
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9970652461051941
+[NH3+]c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2352343797683716
+O=C(NCc1ccc(Cl)cc1)NC1CCSCC1,-1.5444252490997314
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0568233728408813
+CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1,-1.08601713180542
+Cc1cccc(-c2ccc(CNc3cccc(F)c3)cn2)c1,-1.1879804134368896
+C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9005686044692993
+CC(C)CCNC(=O)[C@@H]1CCCN(c2nnc3n2CCCC3)C1,-0.6797812581062317
+O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCC[S+]([O-])C1,-1.3651902675628662
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(O)c1,-1.1441043615341187
+CCN(CC)C1CCN(Cc2ccc(O)cc2)CC1,-1.5704790353775024
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2498599290847778
+Oc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2)n1,-1.0231434106826782
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2443538904190063
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4291456937789917
+O=C(Nc1ccc(Cl)nc1)N1CCCN(c2ccccc2)CC1,-1.1150667667388916
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4706889390945435
+Cn1nc(C(=O)NCc2cccc(N)c2)c2ccccc21,-1.0953073501586914
+Cc1ccccc1OCCNC(=O)CC1CCOCC1,-1.681179165840149
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5270019769668579
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-1.0068320035934448
+c1ccc(CN2CCN3CCN(Cc4ccccc4)CC3C2)cc1,-1.3982371091842651
+Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.3010636568069458
+COc1ccc(N2CCN(C(=O)c3ccc(I)cc3)CC2)cc1,-0.9693942070007324
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6708847284317017
+O=C(N[C@H]1CCC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1,-0.916498601436615
+O=C(N1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4384568929672241
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.115364670753479
+Clc1ccc(CNc2ncccc2-c2ccc(Cl)cc2)cc1,-1.011009931564331
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0819828510284424
+Cc1cccc(N2CCN(C(=O)c3cccc4ccc(C)nc34)CC2)c1,-0.5659492611885071
+COc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2,-1.2525230646133423
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1384207010269165
+O=C(Cc1cc2ccccc2s1)NCc1ccc(Br)cc1,-1.1341896057128906
+O=C(Nc1ccncc1Cl)N1CCC[C@H]1c1ccc(F)cc1F,-0.5507048964500427
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0215848684310913
+O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1,-1.5013662576675415
+CC(C)C1CCN(C(=O)c2ccc(-c3ccccc3)cn2)CC1,-1.0633809566497803
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.2429996728897095
+C[C@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.3190444707870483
+Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(F)n1,-0.8120803833007812
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.0180195569992065
+Nc1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cc1,-1.059409499168396
+O=C(NCC(=O)N1CCC2(CCCO2)CC1)C1CCCCC1,-1.5247383117675781
+Cc1ccn2c(C(=O)NCc3ccc(N)cc3)c[nH+]c2c1,-1.137126088142395
+Cc1cccnc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0011438131332397
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1521040201187134
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.109777808189392
+O=C(NCC1CCC2(CCO2)CC1)c1ccc(F)cc1F,-1.2124719619750977
+O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7650269865989685
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4609796106815338
+Cc1ccc(-c2nc(CSc3ccc(=O)[nH]n3)no2)cc1,-1.0289080142974854
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9769745469093323
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1328315734863281
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.3849936723709106
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502607107162476
+CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1,-1.1233909130096436
+O=C(NCCc1ccc(F)cc1)c1ccccc1,-1.6897234916687012
+C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6940150260925293
+CC(C)CC(=O)NCC1CC[NH+](c2cccc(Cl)c2)CC1,-1.2266485691070557
+C[C@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-0.9735559225082397
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.300222635269165
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccoc2)CC1,-1.5011430978775024
+C[NH+]1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.1330056190490723
+Cc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCOCC2)cc1,-1.0504992008209229
+Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)o1,-1.231086254119873
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(N)c1,-1.089780330657959
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1,-1.3668574094772339
+O=C(Cc1ccccc1O)N1CCC(Cc2ccccc2)CC1,-1.5090311765670776
+COC(=O)c1ccc(C(=O)N2CCC3(CCCO3)CC2)cc1,-1.4908697605133057
+O=C(Nc1ccc(F)cc1)N[C@H]1CCC2(CCCCC2)C1,-1.5614757537841797
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1,-1.1913597583770752
+O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(Cl)cc2)cc1,-0.899097740650177
+O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1F,-1.3183237314224243
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119957208633423
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382946968078613
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCOC2(CC[NH2+]CC2)C1,-1.0875242948532104
+Cc1nc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)no1,-0.998394250869751
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1,-1.1819581985473633
+Cc1ccc([C@@H]2CCC[C@@H]2C(=O)Nc2nc(C)ns2)cc1,-0.7916187047958374
+CN1CCC(CNc2cccc(N3CCN(C)CC3)c2)CC1,-1.2533341646194458
+O=C(NCc1ccccc1)Nc1ccc(F)cn1,-1.629470705986023
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3247020244598389
+CSc1ccc(NC(=O)N2CCOC[C@H](C3CCCC3)C2)cc1,-1.300153136253357
+NC(=O)CNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1,-1.0069910287857056
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)n[nH]1,-1.104551076889038
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2070555686950684
+CCOc1cccc(C[NH+]2CCC[C@@]3(CCC(=O)C3)C2)c1,-1.5656169652938843
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9326637387275696
+CC[NH+]1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.0636626482009888
+COc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1,-1.5570555925369263
+Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9280892610549927
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.118716835975647
+c1cnn([C@@H]2CCC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)c1,-1.2332426309585571
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8900427222251892
+Cc1csc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n1,-0.8635237812995911
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.46148681640625
+Cc1c(F)cccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-0.8972799181938171
+Cc1cccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C)CC2)c1,-1.0757840871810913
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C[C@H]2C)cc1,-1.1066563129425049
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(Cl)cc2)CC1,-0.32708361744880676
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0593655109405518
+C[C@H](C(=O)[O-])[NH+]1CC[C@H](NC(=O)c2ccc(Br)cc2)C1,-1.0978269577026367
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1O,-1.0694297552108765
+C[NH+]1CCN(c2ccc(C(=O)Nc3ncccc3F)cc2)CC1,-1.0204408168792725
+c1ccc(C[NH+]2CC3CCC(C3)C2)cc1,-1.7348905801773071
+O=C(Nc1ccc(F)cc1O)N1CCN(c2ccccc2)CC1,-1.212525725364685
+O=C(Nc1ccc2nonc2c1)[C@H]1CCC[NH+](C2CCCC2)C1,-0.9210507273674011
+C[NH+](C)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.4314241409301758
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1,-1.1960673332214355
+Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.5209898948669434
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.083397388458252
+O=C(NCc1ccc(Cl)cc1)Nc1ccccc1,-1.6248997449874878
+Cc1ccc(C[C@H](O)CNC(=O)N2CCC[C@H](C)C2)cc1,-1.5093828439712524
+CC(C)[C@H](Cc1ccc(Br)cc1)NC(=O)C[NH+]1CCCC1,-1.4435328245162964
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Br)c1,-1.0092538595199585
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.3567537069320679
+CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0491046905517578
+CCNCC(=O)Nc1cccc(-c2nn[n-]n2)c1,-1.5221737623214722
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)cc1,-1.166006326675415
+Fc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)no2)cc1,-0.5920737981796265
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.7998092174530029
+O=C(NCC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1,-1.5794320106506348
+O=C(Cc1cccc(-c2ccccc2)c1)N[C@H]1CCCC[C@H]1O,-1.4177167415618896
+O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9528259038925171
+Cc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1,-1.0766998529434204
+Oc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.3373115062713623
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6180052757263184
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.860109806060791
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0098559856414795
+[NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1,-1.3184832334518433
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.0365099906921387
+Cc1cc(N2CCC(OCc3ccccc3)CC2)nc(C)n1,-1.111585259437561
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.7409145832061768
+Cc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1Cl,-1.3579720258712769
+Cc1ccc(OCc2nc(-c3c(F)cccc3F)no2)cc1,-0.9898717999458313
+O=C(c1cccc(O)c1F)N1CCN(Cc2ccccc2)CC1,-1.1082696914672852
+OC(COc1ccc(CN2CCCC2)cc1)=NC1CCOCC1,-1.581089973449707
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2C)o1,-1.1853957176208496
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)ns2)cc1,-0.9847827553749084
+Cc1cc(C(=O)NC2CCCC2)n(-c2ccc(F)cc2)n1,-0.9811252355575562
+O=C(Cc1ccccc1O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.4818912744522095
+Nc1ccc(C(=O)NCc2ccc3c(c2)CCCC3)cn1,-1.0781726837158203
+O=C(CCc1ccccc1)Nc1ccccc1-c1ccccc1,-1.5118041038513184
+C[NH+]1CCN(c2ccc(NC(=O)CCC3Cc4ccccc43)cc2)CC1,-0.9612925052642822
+O=C(N[C@H]1CCNC(=O)[C@@H]1c1ccccc1)C1CCOCC1,-1.2926291227340698
+CC(=O)c1ccc(C)cc1NC(=O)c1ccc(Br)cc1,-1.0445613861083984
+Cc1cccc(NC(=O)N[C@H]2CC[NH+](C)C3(CCC3)C2)c1,-1.3857027292251587
+Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(Br)cc1,-0.8988500833511353
+COc1ccc(CNC(=O)N2CC[C@@H](F)C2)cc1,-1.5948867797851562
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0032926797866821
+Cn1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)n1,-1.1005467176437378
+O=C1Cc2cc(CNC(=O)c3ccccc3)ccc2N1,-1.4489426612854004
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579875946044922
+C[NH+]1CCC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1,-0.9696502089500427
+Cc1ccc2nc(CNC(=O)Cc3ccccc3)oc2c1,-1.5417041778564453
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1O,-1.0660016536712646
+O=C(c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.855496346950531
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1676639318466187
+C[NH+]1CCN(c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3)CC1,-0.9664095640182495
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1417860984802246
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1568948030471802
+[NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9390075206756592
+Cn1ccc(NC(=O)c2csc(-c3ccc(Br)cc3)n2)n1,-0.8172613382339478
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3358088731765747
+O=C(Nc1cnnn1-c1ccccc1)N1CC2CCCCC2C1,-0.978301465511322
+O=C(c1ccc(F)cc1)N1CC[NH+](CCC2CCOCC2)CC1,-1.3160580396652222
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0300180912017822
+O=C(Nc1ccccc1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9545003175735474
+O=C(COc1ccccc1)NCc1ccccc1,-1.7470749616622925
+O=C(NC1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.037277340888977
+NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCOC2)cc1,-1.6127729415893555
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.9845318794250488
+O=C(c1ccc2cc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5118247866630554
+O=C(NCc1cccs1)c1ccc(C2CC2)cc1,-1.6164507865905762
+Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2N2CCCC2=O)cc1,-1.100841760635376
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(Br)cc1F,-0.8255442976951599
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0472038984298706
+CC(C)CNc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.3242276906967163
+c1ccc(-c2nc(C[NH+]3CCC[C@@H](c4ccccc4)C3)cs2)cc1,-1.2732425928115845
+CCc1ccc(C(=O)N2CCN(c3ccccc3)C(C)C2)cc1,-1.0896565914154053
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)on1,-1.0763201713562012
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.279578685760498
+COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.4356085062026978
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0212368965148926
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8698201775550842
+Cc1cc(F)ccc1C(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1,-1.18206787109375
+C[NH+]1CCC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1,-1.024348497390747
+C[C@H]1CCN(c2ccccc2)C1=O,-1.7693555355072021
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0794121026992798
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0716705322265625
+CN(C(=O)Cc1ccccc1)[C@H]1CCOC[C@@H]1c1ccccc1,-1.4362895488739014
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.301621675491333
+c1ccc(CN2CCN(c3nccn3-c3ccccc3)CC2)cc1,-1.4589909315109253
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC12CCC2,-1.1427024602890015
+CC(C)([NH3+])CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.5503349304199219
+O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.5014374256134033
+Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.2011405229568481
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4412211179733276
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2[nH]1,-0.9390676617622375
+CC(C)CC(=O)NC1CC[NH+](Cc2cccc(N)c2)CC1,-1.5426760911941528
+O=C(NCc1ccccc1)c1cc2cc(Br)c(F)cc2o1,-0.9825672507286072
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.400803804397583
+C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(O)cc1,-1.301533579826355
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9181320071220398
+O=C(Nc1cccc(F)c1Cl)N1CCC(c2ccccc2)CC1,-0.8544298410415649
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5385794639587402
+O=C(c1ccc(Cl)cc1O)N1CCC(C[NH+]2CCCCC2)CC1,-0.980128288269043
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0656682252883911
+Nc1cc(F)ccc1C(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1,-1.1057958602905273
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-0.8915044665336609
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9722984433174133
+Cc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)C(C)C)CC1,-0.7636973857879639
+Cc1ccccc1-c1ccc(NC(=O)[C@H]2CCC[NH+](C)C2)cc1,-1.1265043020248413
+Cc1ccccc1C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1,-1.2114206552505493
+Cc1cc(Cl)ccc1C(=O)NC1CC(c2ccccc2)C1,-1.1755359172821045
+O=C(NCC1CCCCC1)Nc1ccc(Br)cn1,-1.5135427713394165
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0641075372695923
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)o1,-1.2543755769729614
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080650329589844
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8617158532142639
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9468331933021545
+C1CCC2(CC1)CCCC2,-1.9946452379226685
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(I)cc1,-0.9603028893470764
+O=C(CC(F)(F)F)N[C@@H]1CCC[NH+](CC2CCCCC2)C1,-1.2737016677856445
+Nc1cccc(C(=O)NC[C@H]2CCC3(CCCC3)CO2)c1,-1.5505365133285522
+O=C(Cc1cc2ccccc2o1)NCc1ccc(Br)cn1,-1.1987180709838867
+c1nnc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)s1,-0.991602897644043
+COc1cccc(C(=O)NC[C@H]2CC[NH+](C)C2)c1,-1.6221107244491577
+C[NH+]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.148013710975647
+Cc1ccc(-c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2)cc1,-1.295179009437561
+O=C(c1ccc2cc(F)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.4331534504890442
+CC1CCC(C(=O)NCC2CC3CCCN(C)C3O2)CC1,-1.256905436515808
+O=C(N[C@H]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1c1ccccc1,-1.458587884902954
+O=C(Nc1ccc(F)cc1)c1ccccc1Cl,-1.4273830652236938
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.10233473777771
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238658428192139
+Cc1cc(F)ccc1C(=O)N1CCC(C[NH+]2CCCCC2)CC1,-0.9983939528465271
+Cn1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)n1,-1.101388692855835
+C[NH+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3F)CC2)C1,-1.0386406183242798
+C[NH+]1CC[C@H](NC(=O)c2scnc2-c2cccc(Cl)c2)C1,-0.8693968653678894
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCSC2)C1,-1.4738835096359253
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835848808288574
+O=C(N[C@@H]1CCc2ccccc2C1)N1CCC[C@H]1C1CCCC1,-1.012986660003662
+Cc1ccc(N)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1133865118026733
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3922157287597656
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.1438435316085815
+O=C(c1ccccc1O)N1CCC[C@@H](Oc2cccc(F)c2)C1,-1.146681785583496
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.264011263847351
+OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4596155881881714
+Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9089609980583191
+O=C1CC(NCc2ccc(O)cc2)CN1c1ccccc1,-1.5002985000610352
+CC(C)C(C(=O)NCc1ccc(F)cc1)c1ccccc1,-1.3429851531982422
+C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1,-0.9826029539108276
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Br,-1.2427899837493896
+C[C@H]1C[C@H](NC(=O)c2ccccc2)CCN1c1ccc(F)cc1,-1.1732568740844727
+O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(Br)cc1,-1.1470574140548706
+Cc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C,-0.8690723180770874
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9588930606842041
+C[C@@H]1C[NH+](CCCC(=O)NCc2ccccc2)C[C@H](C)O1,-1.5965665578842163
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1520146131515503
+Cc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.2017267942428589
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9391875863075256
+Nc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.2186391353607178
+c1cnc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1,-0.8803937435150146
+O=C(Nc1ccc(F)cc1)C1(c2ccc(Br)cc2)CCC1,-1.263340950012207
+Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)s1,-0.7396889328956604
+CC[NH+]1CCN(C(=O)NCc2ncc(Br)s2)CC1,-1.006532907485962
+C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2)CC1,-1.0046254396438599
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.456784725189209
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0630327463150024
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9784559011459351
+CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.2517609596252441
+O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CCN1c1ccccc1Cl,-0.8405136466026306
+COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0857213735580444
+CN1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2409653663635254
+Cc1ccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)cc1,-1.2720493078231812
+CC(=O)N1CCN(c2ccc(C(=O)N3CCCC3)cc2)CC1,-1.1427017450332642
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599870443344116
+O=C(NCC[NH+]1CCCC1)Nc1ccc(Br)cc1,-1.5645042657852173
+Cc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.4369274377822876
+Cc1cc(F)ccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1,-0.93324875831604
+CC(=O)N1CCC(CNCc2ccccc2)CC1,-1.7016115188598633
+CN1CC[NH+](Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.509068489074707
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccn[nH]2)CC1,-1.0609476566314697
+[NH3+]c1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1024669408798218
+C[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CC[C@@H]1c1ccccc1,-0.9927657246589661
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4677352905273438
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0439587831497192
+Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1Cl,-0.9665177464485168
+Cn1ccc(CC(=O)N2CC[C@H](Cc3ccccc3)C2)n1,-1.5543557405471802
+Cc1ncc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)s1,-0.7448392510414124
+O=C(C1CCCCCC1)N1CCC(Nc2ccc(Br)cc2)CC1,-1.0870099067687988
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9909493923187256
+Cc1ccccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1,-1.0898889303207397
+CC[NH+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.9219650030136108
+O=C(NCC(=O)N1CCC2(CCC2)C1)c1ccccc1,-1.586682677268982
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.5836584568023682
+Nc1ccccc1NC(=O)NC[C@H](O)c1ccccc1,-1.5699607133865356
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0979080200195312
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1166809797286987
+Cc1ccc(C)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1,-1.1126701831817627
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2985548973083496
+CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.3111733198165894
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.557582139968872
+O=C(NCc1ccc(Br)cc1)c1cc2ccc([O-])cc2[nH]1,-1.0202940702438354
+Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1,-1.131469488143921
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0011239051818848
+O=C(Nc1cccc(F)c1F)[C@H]1CCCC[NH+]1C1CCCCC1,-0.7766740322113037
+CC(C)(O)Cc1ccc(C(=O)Nc2ccc(N)nc2)cc1,-1.4198936223983765
+CCCCC(=O)N1CCCC(NC(=O)c2ccc(F)cc2)C1,-1.1682426929473877
+C[C@@H]1CN(c2ccc(F)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1,-0.7451910972595215
+O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)cc1,-1.4569720029830933
+C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC3(CCOCC3)O2)CC1,-1.6136715412139893
+CN1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1=O,-1.167065143585205
+Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.038955569267273
+C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccc3)CC2)C1,-1.3900114297866821
+Cc1cccnc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1,-0.9371256828308105
+Cc1cc(C)c(C(C)C)cc1NC(=O)c1ccc(Cl)cc1,-0.763897180557251
+Clc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.277909755706787
+CCCCc1ccc(C(=O)N[C@H]2CCC3(CCCCC3)C2)cc1,-1.4953891038894653
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2578023672103882
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1cccc(O)c1,-1.3950167894363403
+CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C,-1.2743418216705322
+O=C(Cc1ccc(Cl)nc1)N1CC[C@@H](C[NH+]2CCCC2)C1,-1.1722134351730347
+Cc1cc(-c2ccccc2)nc(NCc2ccc(Br)cc2)n1,-0.9016416072845459
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.284012794494629
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.100010633468628
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238582134246826
+CC(C)[C@@H]1CN(C(=O)NCc2cccs2)CCO1,-1.5855153799057007
+Cc1ccc(NC(=O)C(=O)Nc2cccc(I)c2)cc1,-1.4385896921157837
+CC(C)(C)C(=O)NCC(=O)Nc1ccc(F)cc1,-1.5835473537445068
+CCCNC(=O)c1ccc(OCC(F)(F)F)cc1,-1.5925391912460327
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.10581374168396
+CCC(C)(C(=O)NCc1ccccc1)c1ccc(C)cc1,-1.5323095321655273
+CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1,-1.6076306104660034
+O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1,-0.9875484704971313
+CC(C)(CC(=N)O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0182527303695679
+CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1,-1.0772219896316528
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.989833652973175
+Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(F)c1,-1.027978777885437
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698718786239624
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4584808349609375
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n1,-1.1466243267059326
+O=C(c1ccccc1)N1CCCCC1,-1.802356243133545
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8952410221099854
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1,-1.2196348905563354
+O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,-0.7240715026855469
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9278327226638794
+CCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1,-1.5834252834320068
+Cc1cc(N)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.226975679397583
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0075699090957642
+O=C(Cc1ccc(Cl)cc1)NC[C@@H]1C[C@H]1C1CCOCC1,-1.3331258296966553
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-1.0105153322219849
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9564648866653442
+Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0546009540557861
+C[C@H]1C[NH+](CCC(=O)NCCc2ccc(Br)cc2)CCO1,-1.4738545417785645
+C[C@H]1Cc2cc(C(=O)NCc3ccccc3F)ccc2O1,-1.1174414157867432
+Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)c[nH+]1,-1.1882648468017578
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1678377389907837
+O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(O)c(Cl)c2)C1,-1.0631672143936157
+CC(=O)C1CCN(C(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1,-1.0930423736572266
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.905052661895752
+O=C(c1ccc(Cl)cc1O)N1CCC[C@H](Cc2ccccc2)C1,-1.0617111921310425
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1240003108978271
+CC(C)Oc1ccc(CN(C)c2ccccc2)cc1,-1.6711859703063965
+CC(C)N1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.0526220798492432
+Cc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.186822533607483
+O=C(NCCc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1,-1.4402809143066406
+Cc1csc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1,-1.02892005443573
+O=C(NCc1ccc(Br)cc1)[C@@H]1Cc2ccc(Cl)cc2O1,-1.0692152976989746
+O=C(C[NH+]1CCN(Cc2ccc(I)cc2)CC1)c1ccccc1,-1.3017994165420532
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1,-1.1468757390975952
+O=C(COc1ccc(N2CCNCC2)cc1)c1ccc(F)cc1,-1.2602241039276123
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.0897548198699951
+CCNC(=O)Nc1nc(-c2ccc(F)cc2)cs1,-1.235075831413269
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.9794484376907349
+Cc1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1,-1.5857568979263306
+C[NH+]1CCC[C@H](C(=O)NC[C@H](O)Cc2cccc(Br)c2)C1,-1.3092761039733887
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(O)ccc1F,-1.0226044654846191
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3555742502212524
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.0988398790359497
+CC(C)COc1ccc(COc2ccccc2)cc1,-1.6785439252853394
+CCC1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)cc3)C2)CC1,-0.9284669160842896
+CC(C)CC[NH+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1,-0.8701152801513672
+O=C(Cc1ccc2c(c1)OCO2)NCc1ccc(Br)cc1,-1.4450100660324097
+O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1876534223556519
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2566564083099365
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4813575744628906
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1467115879058838
+O=C(Nc1cc2ccccn2n1)c1ccc(-c2nn[n-]n2)cc1,-0.8810880184173584
+C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCO1,-1.238721489906311
+CC(C)(C)c1ccc(NC(=O)N2CCNCC(O)C2)cc1,-1.3368241786956787
+O=C(Oc1ccc(F)cc1)c1ccc2c(c1)N(C(=O)[O-])CCO2,-1.0192371606826782
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.00080144405365
+C[NH+]1CCN(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC1,-1.4456135034561157
+CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1,-1.0825152397155762
+C[C@@H]1CCCCN(C(=O)Nc2cccc(N3CCOCC3)c2)C1,-1.5014474391937256
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1666483879089355
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.013043761253357
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2351467609405518
+CC(C)[C@H]1C[C@H](NC(=O)CCc2cccc(Br)c2)CCO1,-1.3458186388015747
+Nc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9124970436096191
+Cc1ccc(CNC(=O)c2cccc3[nH]c(C)nc23)cn1,-0.8703081607818604
+O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.2563238143920898
+O=C([O-])[C@@H]1CCCN(C(=O)N2CC[C@H](c3ccccc3)C2)C1,-1.3180711269378662
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0689561367034912
+O=C(Nc1c[nH]c2ncccc12)c1ccc(-c2nn[n-]n2)cc1,-0.790820300579071
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954829573631287
+O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Br)cc1,-1.4072232246398926
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)cc1,-1.4105509519577026
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6403822898864746
+Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.5914558172225952
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1ccc(Cl)cc1,-1.169664740562439
+C[C@@H]1CN(C(=O)c2ccc(F)cc2F)CCN1c1cccc(F)c1,-0.4984075129032135
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0329663753509521
+Cn1cc(-c2nc(NC(=O)c3ccc(F)cc3)cs2)cn1,-0.9346522092819214
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114659428596497
+c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.4050471782684326
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135035276412964
+Cc1ccc(Br)cc1C(=O)NCC[NH+]1CCc2ccccc2C1,-0.858738124370575
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.434165358543396
+Cc1nc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2[nH]1,-0.8820822834968567
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1O,-0.6353335380554199
+Nc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.3864115476608276
+Cc1ccc(C(=O)N[C@H]2CCCO[C@H]2c2ccccc2Cl)cc1,-1.1475718021392822
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.2528132200241089
+CC(=O)N1CCC(CNCc2ccccc2)CC1,-1.6548779010772705
+O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccccc2F)C1,-0.899737536907196
+C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]2C2CCOCC2)C[C@H](C)O1,-1.3841789960861206
+O=C(Nc1ccc2n[nH]nc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.70961594581604
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1469115018844604
+O=C(NCC1CCCCC1)Nc1ccc(Br)cn1,-1.446031093597412
+CCCCCCCCCCCCCC(=O)Oc1ccc(OCCCC)cc1,-1.542296290397644
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9614907503128052
+O=C(N[C@@H]1CC12CCC2)c1cccc(N2CCOCC2)c1,-1.4761934280395508
+O=C(CN1C(=O)COc2ccccc21)NC[C@@H]1CCCCO1,-1.5280762910842896
+Cc1cccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)n1,-0.8553255796432495
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0385706424713135
+Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.1889435052871704
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.8947508335113525
+COC1CC[NH+](CC(=O)Nc2c(C)cc(F)cc2C)CC1,-1.1489717960357666
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9866176843643188
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(I)cc1,-1.3825020790100098
+CC(C)(C)C(=O)NCC1CCN(c2ccccc2N)CC1,-1.1616170406341553
+Cc1ccc(NC(=O)N2CCN(c3ccccc3I)CC2)cc1,-0.9318832159042358
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5049396753311157
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3719865083694458
+O=C(NC1CCCCCC1)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.3201496601104736
+COc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2C)cc1,-1.1423286199569702
+O=C(NCC1CCCCC1)c1cn(C2CC2)nn1,-1.3382831811904907
+Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1,-0.766030490398407
+Cc1nc2n(n1)CC(CNC(=O)c1ccc(F)cc1)CC2,-0.8846543431282043
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1758623123168945
+Cc1cc(F)ccc1C[NH+]1CCN(C(=O)c2ccccn2)CC1,-1.0002936124801636
+Cc1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1,-1.189202070236206
+CC[C@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1,-1.5025646686553955
+O=C(c1cc(F)ccc1F)N1CCN(Cc2ccccc2)CC1,-1.0184074640274048
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1,-1.029283881187439
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.073133111000061
+Cc1cc(Cl)cc(NCc2ccc(N3CCOCC3)cc2)c1,-1.2483727931976318
+Cc1ccc(-n2nccc2NCc2ccc(F)cc2Cl)cc1,-0.8221489787101746
+C[NH+]1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-1.0774633884429932
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1533626317977905
+O=C(C[NH+]1CCO[C@H](c2ccccc2)C1)Nc1ccccc1Br,-1.3460721969604492
+Cc1ccc(NC(=O)CC2CC3(CCOCC3)C2)c(C)c1,-1.5697087049484253
+O=C(NCc1ccccc1)N1CCC[C@H](CCCO)C1,-1.6209688186645508
+C[C@@H]1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.219260811805725
+O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccccc2)CC1,-0.9634612202644348
+CC(C)C(=O)Nc1ccc(NC(=O)CC(C)(C)C)cc1,-1.578179121017456
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.090617299079895
+O=C(c1ccc(F)cc1Cl)N1CCOC[C@H]1Cc1ccccc1,-0.9808650612831116
+Cc1cc(CNc2ccc(C3CCCCC3)cc2)ccc1Cl,-1.1766659021377563
+COc1ccc(OCCC(=O)NC2CC[NH2+]CC2)cc1,-1.6272834539413452
+Fc1ccc(C[NH+]2CCC(Nc3ccc(Br)cn3)CC2)cc1,-1.0299007892608643
+CCc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2,-1.198473334312439
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1624447107315063
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1565569639205933
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(I)cc1F,-0.8380765318870544
+Cc1ccc(Oc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1,-1.2423357963562012
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1O,-1.148959994316101
+C[C@H]1CCN(C(=O)NC[C@@H](O)Cc2ccccc2)C[C@@H]1C,-1.4407705068588257
+Cc1csc(C(=O)Nc2ccnn2-c2ccc(F)cc2)c1,-1.0352709293365479
+C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(F)cc3)CC2)C1,-0.9967819452285767
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.142730951309204
+Clc1ccc(C2CCC(NCc3ccccc3)CC2)cc1Cl,-0.940316379070282
+CC(C)c1ccccc1N=C(O)CNC(=O)c1ccccc1,-1.337084174156189
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2Cl)CC1,-0.9577174782752991
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056506633758545
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(I)cc3)s2)s1,-0.7231101989746094
+O=C(N[C@@H]1C[C@H](c2ccccc2)NC1=O)c1ccccc1Br,-1.0220080614089966
+NC1CCN(c2ccccc2)CC1,-1.8393363952636719
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101638913154602
+CC1(NC(=O)c2ccc(O)c(F)c2)CC[NH+](CCCCO)CC1,-1.252606987953186
+CC1Cc2cc(CNCc3cccc(O)c3)ccc2O1,-1.5691927671432495
+Clc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.0525165796279907
+Oc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.335890293121338
+O=C(COc1ccccc1)OCc1ccccc1,-1.7576881647109985
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5086464881896973
+c1ccc(Cn2c(-c3ccccn3)nnc2N2CCCCC2)cc1,-1.1265525817871094
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2ccccc2)CC1,-1.2168357372283936
+Cc1c[nH]c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)c1,-1.239508032798767
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2Br)cc1,-1.0053536891937256
+Cn1cc(NC(=O)c2cnc(-c3ccc(F)cc3)s2)cn1,-0.9303882718086243
+Cc1nn(C)cc1NC(=O)COc1ccc(F)cc1,-1.3304805755615234
+O=C(Cc1cccc(Br)c1)NC1CC([NH+]2CCOCC2)C1,-1.3980823755264282
+CC(C)(O)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.5694503784179688
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.1664624214172363
+NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)s1,-1.5377962589263916
+COc1ccc(C(=O)N2CCN(c3cccc(C)n3)CC2)cc1,-1.0067843198776245
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1754053831100464
+CCCNC(=O)c1ccc(OC2CCCCCC2)cc1,-1.6088553667068481
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502567768096924
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1cccc(O)c1,-1.1267309188842773
+O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.0185563564300537
+O=C(NC1CCCCCC1)c1ccc(Cl)cc1,-1.6063035726547241
+CC(C)(C)CCCC(=O)NCc1ccc(C(N)=O)cc1,-1.5621778964996338
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.4720332622528076
+Cc1ccc(C2CC[NH+](Cc3ccc(S(N)(=O)=O)o3)CC2)cc1,-1.3891066312789917
+CC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.5323914289474487
+CC(C)(O)CCCC(=O)N1CCC(OCc2ccccc2)CC1,-1.6028090715408325
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4641826152801514
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8851735591888428
+O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,-1.2778056859970093
+Cc1ccc(-c2ccc(OCc3ccc(Br)cc3)cc2)cc1,-1.2606014013290405
+Cc1ccccc1-n1c(C)nnc1NCc1ccc(Cl)cc1,-0.7444996237754822
+O=C(O)[C@H]1CCCN1C(=O)c1cccc(-c2ccccc2)c1,-1.2579878568649292
+C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(c3ccccc3)CC2)C1,-1.3519456386566162
+C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3814951181411743
+O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1CCC(c2ccccc2)CC1,-1.141627550125122
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.265607237815857
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2439569234848022
+Cc1csc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c1,-1.1915467977523804
+CC1CCC(C(=O)NC[C@H](O)Cc2ccc(F)cc2)CC1,-1.360472321510315
+CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)CC1,-0.7437347173690796
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)nn1,-0.9533402323722839
+CC(C)(C)CN1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.4348392486572266
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1378306150436401
+[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0145500898361206
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0620688199996948
+CCNC(=O)Nc1ccc(N2CCCCC2=O)cc1,-1.6100997924804688
+Nc1ccc(N2CCC(NC(=O)C3CCCCCC3)CC2)cc1,-1.2122807502746582
+O=C(Nc1nc(-c2ccccc2)cs1)c1coc2ccccc12,-1.096028208732605
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ncoc1-c1ccccc1,-1.0713567733764648
+NC(=O)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1,-1.5563350915908813
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-1.0758060216903687
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2o1,-1.0787063837051392
+COc1ccc(CNC(=O)c2cc(O)no2)cc1,-1.6325279474258423
+Cc1cc(Cl)ccc1C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1,-0.913478434085846
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1858512163162231
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.433026909828186
+O=C(NCc1ccc(Br)cn1)c1ccc2c(c1)CCCC2,-0.9399341344833374
+c1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1,-1.0364519357681274
+O=C(C[C@@H]1CCCc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1,-0.8263400197029114
+Cc1nc([C@H]2CCC[C@H]2NC(=O)c2ccc(Cl)cc2)no1,-0.917667806148529
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1O,-1.0491130352020264
+Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)n[nH]1,-0.6018396615982056
+Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)s2)s1,-0.7481896281242371
+C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2cccc(O)c2)cc1,-1.1461185216903687
+Cc1ccc(NCc2csc(-c3ccc(F)cc3)n2)c(C)c1,-0.8388997316360474
+Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1,-1.1549534797668457
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1058837175369263
+Cc1ccc(CC(=O)NCC(=O)N2CCOCC2)cc1,-1.647151231765747
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033709049224854
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485389351844788
+Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)o1,-1.185821294784546
+C[C@H](C(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1,-1.344886302947998
+O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2F)CC1,-1.1270766258239746
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2090401649475098
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0657131671905518
+Cc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.2378439903259277
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8881173133850098
+Cc1cc(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)no1,-1.5162516832351685
+O=C(c1ccc(O)cc1Cl)N1CCC(Cc2ccccc2)CC1,-1.1632142066955566
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.100026249885559
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.1148442029953003
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0434352159500122
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.1553497314453125
+Cc1ncc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]1,-1.0522793531417847
+C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)ccc2O1,-0.8709170818328857
+CN(Cc1noc(-c2ccc(F)cc2)n1)c1cccc(N)c1,-0.9272979497909546
+[NH3+]C[C@H]1CCCN(C(=O)c2ccccc2-c2ccc(Cl)cc2)C1,-0.922207772731781
+CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCC,-1.3941638469696045
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0443999767303467
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.6521890759468079
+Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1,-0.8716076612472534
+Cc1ccc(CCC(=O)NCc2ccc(F)cc2F)cc1,-1.2171775102615356
+CC(C)c1ccc(CNCc2ccccc2O)cc1,-1.6065294742584229
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.323975682258606
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858147382736206
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.0075751543045044
+Nc1ccc(F)cc1CNC(=O)c1ccc2c(c1)OCO2,-1.0383224487304688
+Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)C2)n1C,-1.3898919820785522
+O=C(NCCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1,-1.4734376668930054
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Br)cn2)CC1,-0.9982796907424927
+Cc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4415765404701233
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2177648544311523
+Cc1nc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9526969790458679
+C[C@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6927915811538696
+O=C(NCc1ccc(Cl)cc1)c1c[nH]c2cc(F)ccc12,-0.9216642379760742
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0671137571334839
+C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Br)cc2)CC1,-0.9588931202888489
+NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.4243112802505493
+CCCCC(=O)N1CCN(C(=O)COc2ccccc2)CC1,-1.5709545612335205
+Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)ccc34)CC2)cc1,-0.68784499168396
+C[NH+]1CCN(c2ccccc2)CC1,-1.8231467008590698
+CC[C@@H](C)CC(=O)N[C@H](C)C(=O)Nc1ccc(C)cc1,-1.5240806341171265
+Cc1[nH]c2cc(I)ccc2c1C(=O)NCc1ccccc1,-0.8546534776687622
+Cc1oc2ccccc2c1C(=O)NCc1ccc(I)cc1,-0.9887957572937012
+CC(F)(F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1,-1.4971294403076172
+C[C@@H]1Cc2cc(C(=O)NCC[NH+]3CCCCC3)ccc2O1,-1.4125643968582153
+C[NH+]1CCC[C@@]2(CCN(C(=O)NCc3ccccc3)C2)C1,-1.5599384307861328
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8142638802528381
+c1ccc(-c2nc(-c3ccc(CN4CCCCC4)cc3)no2)cc1,-1.2148032188415527
+Cc1ccc(NC(=O)[C@H](Oc2ccccc2)C(C)C)cc1,-1.5796743631362915
+C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH+]1CCCCCC1,-1.515191912651062
+O=C(Nc1cc(Cl)ccc1O)N1CCN(c2ccccc2)CC1,-1.0277208089828491
+[NH3+]CCCc1ccc(CNC(=O)c2ccccn2)cc1,-1.6075286865234375
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9478231072425842
+O=C(CCCc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1,-1.5334175825119019
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.328530192375183
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1816328763961792
+c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1318591833114624
+O=C(C[NH+]1CCc2sccc2C1)NCc1cccc(I)c1,-1.064245581626892
+Cc1nc2ccc(C(=O)NCC3CCC([NH3+])CC3)cc2o1,-1.0705739259719849
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1,-1.096867561340332
+CC(C)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.0971928834915161
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212500810623169
+Clc1ccc(-c2ccc(CNc3ccc(I)cc3)cc2)cc1,-1.0389094352722168
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.895370364189148
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccncc1Br,-0.7932096123695374
+O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.4687187671661377
+Cc1nc2cc(NC(=O)COc3ccccc3)ccc2[nH]1,-1.3293317556381226
+Cc1ccccc1CC(=O)Nc1ccc(N2CCCCC2)cc1,-1.3484249114990234
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.9057328701019287
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F,-0.959428071975708
+Cc1cc(C(=O)NC(=O)N2CCC[C@H](C)C2)ccc1F,-1.074154257774353
+CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.4761370420455933
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0292203426361084
+CC(Br)COc1ccc(OCc2ccccc2)cc1,-1.5718618631362915
+Clc1ccc(-c2ccccc2OCc2ccccc2)cc1Br,-1.0369664430618286
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cccc(Cl)c1,-0.9664688110351562
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0388109683990479
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9589905142784119
+O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2O)CC1,-0.3818780779838562
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)o1,-1.1689531803131104
+Cc1nnc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1,-0.653578519821167
+CC1(C)CCN(c2ccc(OCc3ccccc3)cc2)CC1,-1.5583562850952148
+O=C(N1CCC(CO)CC1)N1CCN(c2cccc(Cl)c2)CC1,-0.9693606495857239
+Cc1ccc(C(=O)Nc2ccnn2-c2ccccc2Cl)[nH]1,-0.9889187812805176
+Oc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.4825011491775513
+CC(C)(C)CC(=O)c1ccc(COC2CCCCC2)cc1,-1.5493282079696655
+CC(C)(O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.3535605669021606
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0550137758255005
+O=C(NCc1cccc2ccccc12)c1ccc2[nH]ncc2c1,-0.9615079760551453
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.8460479378700256
+O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1,-1.524719476699829
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9042986631393433
+O=C(CN1CCc2ccccc21)NCc1ccc(Br)cc1,-1.1912524700164795
+O=C(c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1,-1.054333209991455
+C[C@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5035896301269531
+CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-1.0159268379211426
+CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1,-1.5968056917190552
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0841021537780762
+Clc1ncc(-c2ccc(Br)cc2)c(NCc2ccccc2)n1,-0.7446964979171753
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1173384189605713
+O=CN[C@H]1C[C@H]1C1CCOCC1,-1.860443353652954
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1cccc(F)c1,-0.9257491827011108
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0973033905029297
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0273350477218628
+Nc1ccc([C@H]2C[C@H](NC(=O)c3ccc(F)cc3)C2)cc1,-1.125238060951233
+Fc1ccc(-c2cc(NCc3ccc(Br)cc3)ncn2)cc1,-0.9234231114387512
+O=C1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1,-1.5409355163574219
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579939126968384
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.2533677816390991
+O=C(Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,-1.471849799156189
+Cc1cc([NH3+])ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2123241424560547
+Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2[nH]1,-0.8565995097160339
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.879156768321991
+O=C(NCc1ccc(Br)cc1F)[C@H]1C[C@@H]1C1CCOCC1,-0.9194814562797546
+Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.198970079421997
+C[NH+]1CCC(NC(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.0164742469787598
+CC1(C)CC(NC(=O)N2CCC([NH+]3CCOCC3)CC2)C1,-1.4209316968917847
+Fc1cccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)c1,-1.3051419258117676
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1815763711929321
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1934586763381958
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)s1,-0.8431024551391602
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-0.9675151109695435
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8531903028488159
+Cn1cc(CNC(=O)c2ccc(O)cc2)c2ccccc21,-1.1791421175003052
+Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.2737705707550049
+C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3F)CC2)CC1,-0.982698380947113
+O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2Br)CC1,-0.983923077583313
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.087525486946106
+O=C(Nc1ccccc1Br)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.9121324419975281
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C1,-1.0540071725845337
+C[C@H]1CCC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1,-1.1646840572357178
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Br,-0.9899282455444336
+Cc1cccc2nc(N3CC[NH+](CC4CCC(C)(C)CC4)CC3)oc12,-0.8059060573577881
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1800037622451782
+O=C(Cc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1Br,-0.8071712851524353
+Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1,-0.9556804299354553
+C[NH+]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC1,-1.2323435544967651
+O=C(N[C@H]1CCC[NH+](C2CCOCC2)C1)c1ccc(F)cc1Cl,-0.8924162983894348
+CC(C)C[NH+]1CC[C@@H](C(N)=O)[C@@H](C)C1,-1.5991131067276
+O=C(Cc1ccccc1)N1CCN(Cc2ccccc2O)CC1,-1.465599775314331
+C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.7313941717147827
+O=C(NCc1ccccc1)Nc1ccc(I)cn1,-1.4934173822402954
+C[C@H](CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1,-1.0818442106246948
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1826266050338745
+Cc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)c(F)c1,-0.9252246618270874
+Nc1ccc(C(=O)N2CC[NH+](CCN3CCOCC3)CC2)cc1,-1.3680566549301147
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305426359176636
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-1.0396065711975098
+Cc1cc(NCc2ccc(N)cc2)nc(-c2ccccc2)n1,-1.0558363199234009
+Cc1ccc(CC(=O)Nc2cc(-c3ccccc3)nn2C)cc1,-1.122929334640503
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.9553202986717224
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9996408820152283
+c1ccc(-c2nc(CNCC3CCCO3)no2)cc1,-1.602046251296997
+CC(=O)N1CCN(C(=O)c2c[nH]c(-c3ccccc3)n2)CC1,-1.0558041334152222
+O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CC12CCCCC2,-1.3102648258209229
+N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1,-0.9590277671813965
+Cc1nsnc1C(=O)NCc1ccc2c(c1)CC(=O)N2,-0.9539840817451477
+Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.159873127937317
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1954923868179321
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3156509399414062
+Nc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9134171605110168
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.137148380279541
+Cc1cnccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0642622709274292
+Cc1ccc(CCC(=O)NCc2ccc(Br)cc2Br)cc1,-1.0301848649978638
+Cc1ccccc1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0457799434661865
+Cc1cccc(C(=O)NCC(C)(C)c2ccc(F)cc2)c1,-1.2669425010681152
+Cn1cc(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)cn1,-1.1826114654541016
+CCc1ccc(CC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)cc1,-1.180792212486267
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.894870936870575
+CCCC[C@H]1CCCN1C(=O)NCCc1ccccc1,-1.6091395616531372
+Cc1ccc(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1932586431503296
+O=C(c1ccc(F)cc1)N1CCC[C@H]([C@H](O)c2ccccc2)C1,-1.259875774383545
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1,-0.965033769607544
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1,-1.21636962890625
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.89971923828125
+CCOc1ccc(C(=O)NC2CCC(Cl)C2)cc1,-1.5477124452590942
+C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-0.9837416410446167
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1O,-1.0766682624816895
+Cc1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C)C2)cc1,-1.288384199142456
+O=C(NCCC[NH+]1Cc2ccc(F)cc2C1)N1CCCCCC1,-1.352379560470581
+O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1Cl,-1.241015911102295
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1052442789077759
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2193256616592407
+O=C1N(c2ccccc2)C[C@@]12CCC[NH+](Cc1ccc(F)cc1)C2,-1.1527581214904785
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1884758472442627
+Nc1cc(Cl)ccc1C(=O)C1CCCN(Cc2ccccc2)C1,-0.9417530298233032
+CCOC(=O)c1ccc(Cl)cc1,-1.800906777381897
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.993340253829956
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCOCC2,-1.4836058616638184
+COc1cc(OCc2ccccc2)ccc1S(N)(=O)=O,-1.5983500480651855
+C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCC(C)(C)O)C1,-1.5884287357330322
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0246267318725586
+Cc1ccccc1O[C@H](C(=O)Nc1ccn(C)n1)C(C)C,-1.2295278310775757
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208244323730469
+Nc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.061991810798645
+O=C(NCC1CCCCC1)Nc1ccc(S)cc1,-1.6245601177215576
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.87643963098526
+Cn1ccc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n1,-1.247613787651062
+Cc1cccnc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.912614107131958
+O=C(Cc1cccc(O)c1)N1CC[NH+](Cc2ccccc2)CC1,-1.5305942296981812
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.298539161682129
+Cc1ccc(N2CCC(NC(=O)CCc3cccs3)CC2)cc1,-1.4563099145889282
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1,-0.9296169877052307
+C1=CCC(c2noc(Cc3ccc(-c4ccccc4)cc3)n2)C1,-1.2747001647949219
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2366291284561157
+O=C(N[C@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4177203178405762
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3402645587921143
+c1ccc([C@H]2CCCC[NH+]2Cc2ccc(-n3cccn3)cc2)cc1,-1.2539278268814087
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8930217623710632
+CCCCC(=O)N1CCN(CC(O)=NCCc2ccc(Cl)cc2)CC1,-1.1566609144210815
+O=C(c1ccc(F)cc1)N1CCC(n2c(=O)oc3ccccc32)CC1,-0.7532753944396973
+O=C1Cc2ccc(C(=O)NCc3ccccn3)cc2N1,-1.3068230152130127
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1894433498382568
+COc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.6226909160614014
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2766697406768799
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(Cl)c1,-0.9621676802635193
+Cc1ccc(Oc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1,-1.1787502765655518
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2008068561553955
+O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1,-1.1084891557693481
+Cc1cc(NC(=O)c2ccc(F)s2)n(-c2ccccc2)n1,-0.9886158108711243
+O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2921193838119507
+CCC(C)(C)C(=O)NC[C@@H]1CCCC[NH+]1C1CCCCC1,-1.331616759300232
+COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6399195194244385
+C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](O)c1cccc(F)c1,-1.1227325201034546
+C[NH+]1CCC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1,-1.0267115831375122
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.0584086179733276
+C[C@](O)(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1,-1.4865343570709229
+O=C(N[C@@H]1CCCCC1=O)c1cccc(-c2ccccc2)c1,-1.3289387226104736
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0613027811050415
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1078357696533203
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6006868481636047
+Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5019384622573853
+CCCCNC(=O)c1ccc(Cc2ccccc2)cc1,-1.6194416284561157
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125004529953003
+CCC1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0568692684173584
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.3040565252304077
+Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3C)CC2)cc1,-1.0650266408920288
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0870413780212402
+C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.3678566217422485
+Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)cc1,-0.9868433475494385
+NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1,-1.0997110605239868
+Cc1ccc(CNC(=O)C[C@@H]2CC[C@H]3CCCC[NH+]3C2)s1,-1.1502052545547485
+Cc1ccc(O)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.21273934841156
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0356113910675049
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(O)cc1O,-1.1184345483779907
+C[NH+]1CCC(NC(=O)C2CCN(c3ccccc3N)CC2)CC1,-0.9925006031990051
+Cc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1,-1.267115831375122
+O=C(N[C@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.2544995546340942
+CCN1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0544006824493408
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9485350251197815
+O=C(NC1CC12CCCCC2)c1ccc(N2CCCCC2)cc1,-1.2937361001968384
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4866015911102295
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4217891693115234
+Cc1ccc(CNC(=O)N2CCc3sc(C)nc3C2)cc1,-0.7933837175369263
+O=C(Nc1cccc(F)c1)C1(c2ccc(F)cc2)CCC1,-1.2306444644927979
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0101768970489502
+O=C(CNc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.239455223083496
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750908136367798
+C[NH+]1CCC[C@@H](CNC(=O)c2c(Cl)nc3ccccn23)C1,-0.8216806054115295
+O=C(Cc1ccccc1)NC[C@H]1CCOC2(CCCC2)C1,-1.6309926509857178
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1038093566894531
+CC(=O)Nc1ccc(NC(=O)CS(C)(=O)=O)cc1,-1.6542284488677979
+COc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CO3)cc1,-1.2312599420547485
+C[NH+]1CC[C@H](NC(=O)NCCC2CCCCC2)C1,-1.7068520784378052
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.020829439163208
+C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1,-1.2634187936782837
+[NH3+][C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2324554920196533
+CC[NH+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.0658971071243286
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCCC3)CC2)s1,-1.1935968399047852
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1,-1.2258613109588623
+Fc1ccc(-c2ccc(NCc3cccc(F)c3)cn2)cc1,-1.1264026165008545
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0250096321105957
+O=C(Cc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1,-1.262974739074707
+CCCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1,-1.0820859670639038
+CC(C)(C)CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.142158031463623
+N#Cn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2ccccc2c1=O,-0.3180699050426483
+C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CC[NH+](C)CC2)c1,-1.0458836555480957
+Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)CC2)s1,-1.0378084182739258
+Fc1ccc([C@H]2Cn3ccnc3C[NH+]2Cc2ccc(F)c(F)c2)cc1,-0.45926305651664734
+O=C(c1ccccc1Cl)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.8545387387275696
+Cn1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cn1,-0.9992786049842834
+Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2CC(C)(C)O)cc1,-1.5231266021728516
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.8629508018493652
+C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1,-1.2337723970413208
+O=C(Nc1ccc(Cl)cc1Br)N1CCC(c2ccccc2)CC1,-0.8041021823883057
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1150498390197754
+C[C@@H](CCNC(=O)c1ccc(-c2ccccc2)nc1)C(=O)[O-],-1.289697289466858
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(F)c1,-1.3758364915847778
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.0863890647888184
+Fc1ccc(CNC2CCCCC2c2ccc(Br)cc2)cc1,-1.0845013856887817
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(C)c1,-1.052320957183838
+Cc1cccnc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.836613655090332
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2396857738494873
+CCc1ccc(C(=O)NC(C)C(O)=NC2CCCCC2)cc1,-1.3150416612625122
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0933544635772705
+Cc1ccc(CC(=O)NCCCN2CC[NH+](C)CC2)cc1,-1.5576121807098389
+CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCc3ccc(F)cc3C2)C1,-0.9098544716835022
+[NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.0076875686645508
+Cc1ccc(CNC2CCN(c3ccccc3)C(C)C2)cc1,-1.2699995040893555
+Cc1ncccc1C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)C)C1,-0.9143372774124146
+Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.1291258335113525
+COc1ccc(OCC(=O)Nc2ccccc2I)cc1,-1.4364829063415527
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5022993087768555
+Cc1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)c1,-1.5903114080429077
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)C1CCCCC1,-0.801089882850647
+Cc1cccc(CNC(=O)c2cc3ccc(F)cc3o2)c1,-1.1527409553527832
+CN1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.3534562587738037
+O=C(NC1CC(F)(F)C1)c1ccccc1N1CCOCC1,-1.2152199745178223
+C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.3807803392410278
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1237274408340454
+c1ccc(-c2ccc(Cc3noc(-c4ccccc4)n3)cc2)cc1,-1.240346908569336
+c1ccc(Cn2nnc(-c3ccc(-c4ccccc4)cc3)n2)cc1,-1.1046985387802124
+O=C(NCc1ccc(F)c(F)c1)c1ccc2nc[nH]c2c1,-0.8820317983627319
+Cc1ccc(N2CCC(O)(COc3ccccc3)CC2)cc1,-1.5608717203140259
+Fc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.3626915216445923
+Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)[C@H](C)C2)cc1,-1.2423877716064453
+c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1,-1.1203399896621704
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cn2)cc1,-1.0362595319747925
+CC(C)(C)c1ccc(C(=O)NC2CC23CCCCC3)cc1,-1.2919559478759766
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.3064243793487549
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0379371643066406
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908020973205566
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961290121078491
+Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(F)c1,-1.0625450611114502
+CC(C)(C)CCCC[NH+]1CCC(NC(=O)c2ccccc2)CC1,-1.5037965774536133
+CN1CCN(CC(=O)c2ccc(CN3CCCCC3)cc2)CC1,-1.4082692861557007
+Cc1cc(N)ccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccccc1,-1.1141705513000488
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8932398557662964
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0278446674346924
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382883787155151
+CC(=O)Nc1ccc(NCc2nonc2C)cc1,-1.4940311908721924
+Cc1nnc(CNC(=O)Cc2ccc(F)c(Br)c2)s1,-0.857780933380127
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1497923135757446
+C[NH+]1CCC(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC1,-1.5027016401290894
+COc1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1,-1.4976518154144287
+Cc1ccc(CCC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.0970059633255005
+CC(C)(C)c1ccc(NC(=O)c2ccc(O)cc2O)cc1,-1.1939561367034912
+Nc1ccc(C(=O)NCc2cc3ccc(Cl)cc3[nH]2)cc1,-0.9786581993103027
+CCc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1,-1.5290206670761108
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.0361994504928589
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.318406581878662
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.284037470817566
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(O)c1,-1.2656537294387817
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n[nH]1,-1.1097849607467651
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2cccc(Br)c2)no1,-1.1162017583847046
+O=C(NCc1ccc(F)c(Cl)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8174293041229248
+Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2167582511901855
+COc1ccc(Br)cc1CC(=O)Nc1ccc(Br)cc1C,-0.8359547257423401
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1122198104858398
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0617038011550903
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0327540636062622
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.125361680984497
+O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1c1ccccc1,-1.4069074392318726
+Cc1cc(NCc2ccccc2)cc(Cl)c1-c1ccccc1,-1.1423029899597168
+CC(C)[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-],-1.255956768989563
+Cc1ccc(NCc2nnnn2-c2ccc(F)cc2)c(F)c1,-0.7637727856636047
+COc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1C1CC1,-0.9384951591491699
+Nc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.4338585138320923
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9664133191108704
+O=C(Nc1ccc(C2CCCCC2)cc1)[C@H](F)c1ccccc1,-1.2851974964141846
+CC1CN(C(C)(C)C)CC(C)O1,-1.7893708944320679
+CCc1ccc(C(=O)NC(C)C(O)=NC2CCOCC2)cc1,-1.5240451097488403
+C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F,-1.0870399475097656
+O=C(Nc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1F,-1.1272542476654053
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.0544376373291016
+O=C(Cc1ccc(Br)cc1)NCc1ccc2[nH]ccc2c1,-1.2187422513961792
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0364651679992676
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1460902690887451
+O=C(N[C@@H]1CCC[NH+](C2CCCC2)C1)c1ccc2[nH]ncc2c1,-0.9378578662872314
+Cc1ccccc1CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.4669276475906372
+Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1,-0.9061228036880493
+CC(C)CC(=O)N1CCC(COc2ccc(Cl)cc2)CC1,-1.4482313394546509
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.440316081047058
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1038867235183716
+O=C(CN1CCCC1=O)NC1CCN(c2ccccc2)CC1,-1.451012134552002
+CC(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.0081959962844849
+COc1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1,-1.5508980751037598
+COc1ccc(CNC(=O)Cc2ccco2)cc1,-1.6951963901519775
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0391783714294434
+Cc1cccc(CNC(=O)c2ccc3oc(C)nc3c2)c1,-1.161517858505249
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7619198560714722
+CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9722025394439697
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3543732166290283
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.018555760383606
+CN1CCC[C@H](C(=O)Nc2ccccc2N2CCCC2=O)C1,-1.114377737045288
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1,-1.004499912261963
+C[C@H](O)CNC(=O)C1CCN(c2ccc(F)c(F)c2)CC1,-1.0816494226455688
+Cc1ccc(-c2nnc(COc3ccc(F)cc3)n2N)cc1,-0.9238004088401794
+Cn1cc(CC(=O)N2CCC[C@@H]2Cc2ccccc2)cn1,-1.46952223777771
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.0568801164627075
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3787097930908203
+c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1,-1.1836031675338745
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(Br)c2)no1,-1.1232905387878418
+Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.6404370069503784
+O=C1NCCN(C(=O)c2ccccc2)[C@H]1Cc1ccccc1,-1.355036973953247
+O=C(NCc1ccccc1)[C@@H](c1ccccc1)C(F)(F)F,-1.4569518566131592
+O=C(Nc1ccccc1F)[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1,-0.8950809240341187
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1,-1.3283275365829468
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1293025016784668
+Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1,-1.1455672979354858
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8429703116416931
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1O,-1.056107759475708
+N#Cc1ccc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1,-0.9290154576301575
+C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC3(CCOCC3)C2)C1,-1.5432970523834229
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2770724296569824
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1I,-1.12857186794281
+O=C(c1ccc(Oc2ccccc2)cc1)N1CC[S+]([O-])CC1,-1.513613224029541
+Fc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1,-1.2114304304122925
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1563252210617065
+O=C(Cc1ccc[nH]1)N[C@H]1CCO[C@@H]1c1ccc(Br)cc1,-1.4768052101135254
+N#Cc1ccc(CC(=O)NCc2ccc(I)cc2)cc1,-1.3942750692367554
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2781102657318115
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0568313598632812
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9894182085990906
+O=C(NCc1ccccc1Cl)N1CCC2(CCOCC2)C1,-1.4686223268508911
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.4029440879821777
+O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.6234982013702393
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0780318975448608
+Fc1ccc(C[C@@H]2CC[NH+](Cc3ccc(F)cc3F)C2)cc1,-1.0807069540023804
+COc1sc(Br)cc1C(=O)NCC1CCOCC1,-1.4371119737625122
+CN1CCC(C(=O)Nc2ccc(-c3ccccc3Br)cc2)CC1,-1.030574083328247
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0479464530944824
+Cc1cc(C(=O)NCc2ccccc2)c2nc(C)oc2n1,-1.071212887763977
+C[NH+]1CCC(NC(=O)c2ccc(CC(F)(F)F)cc2)CC1,-1.133785605430603
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8516716957092285
+Oc1ccc(CC2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.3816090822219849
+Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.431632399559021
+Cc1nc(CC(=O)Nc2csc(-c3ccccc3)n2)co1,-1.409204363822937
+Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700599193572998
+[NH3+][C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1,-1.0029921531677246
+O=C(NCc1ccccn1)Nc1ccc(Cl)nc1,-1.5383695363998413
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)C1CCC[C@@H]1c1ccccc1,-1.1916133165359497
+Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1,-1.1610397100448608
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.8219801783561707
+C[C@@H]1CN(C(=O)NCCc2ccccc2)CCO1,-1.686741590499878
+COc1ccc(CNC(=O)C2CCCOc3ccccc32)cc1,-1.2717796564102173
+Cn1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)n1,-0.9715422987937927
+CC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2,-1.5331605672836304
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5076649188995361
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCC(F)(F)C1,-1.1422196626663208
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)n1,-0.7959696054458618
+CCOC(=O)N1CC[C@@]2(CCN(c3ccc(Br)cc3)C2)C1,-1.4526447057724
+COc1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1,-1.4997353553771973
+O=C([C@H]1CCOC2(CCCCC2)C1)N1CCC(c2ccc(F)cc2)CC1,-1.0244309902191162
+O=C(NCC1CCCCC1)C(=O)N1CCO[C@@H]2CCCC[C@H]21,-1.2744219303131104
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033741235733032
+c1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1,-1.2247761487960815
+c1ccc(Oc2ccc(C[NH+]3CC[C@H]4OCCC[C@@H]4C3)cc2)cc1,-1.496791124343872
+Cc1cc(O)nc(-c2ccc(OCc3ccccc3)cc2)c1,-1.3469645977020264
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.336734652519226
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9168373942375183
+O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2F)nn1,-0.8244301080703735
+CN1CCCCC1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0160998106002808
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1,-1.4765897989273071
+C[C@H]1CN(C(=O)c2cccnc2)CC[NH+]1Cc1ccccc1F,-0.9448912143707275
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1665582656860352
+O=C([C@@H]1CCOC2(CCCCC2)C1)N1CCN(c2ccc(Cl)cc2)CC1,-0.9870830774307251
+O=C(Nc1ccc(N2CCCC2)cc1)c1nc2ccccc2[nH]1,-1.1371653079986572
+Cc1ccc(Cl)nc1N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.1483731269836426
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.272576093673706
+O=C(Nc1ccccc1)C(=O)N1CCC(n2cccn2)CC1,-1.385781168937683
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.138161540031433
+CC1C[C@@H](C(=O)NCCc2ccccc2)C2(CCCC2)C1,-1.5355795621871948
+O=C(Cc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1,-1.2690352201461792
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1953707933425903
+Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[NH+](C)C2)CC1,-1.1295496225357056
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0793588161468506
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2Cl)CC1,-0.5876280069351196
+COc1ccc(C(=O)NCc2ccc(Cl)s2)cc1,-1.5571324825286865
+C[C@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0008127689361572
+O=C(c1ccc(F)cc1F)N1CCC[C@@H](Cc2ccccc2)C1,-1.1105445623397827
+O=C(Nc1ccc(F)c(-c2ccccc2)c1)c1ccccc1O,-1.0913949012756348
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6243640184402466
+C[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)[C@@H]1C,-1.1278971433639526
+C[NH+]1CCN(C2CC(NC(=O)c3ccc(Cl)cc3)C2)CC1,-1.0519269704818726
+COc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.609829068183899
+CC(N)C(C)(C)c1ccc(NC(=O)C2CCCCC2)cc1,-1.1933869123458862
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1,-0.9697896242141724
+C[C@@H]1C[C@H](NC(=O)NCC2CCCCC2)CCO1,-1.6692591905593872
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1444857120513916
+Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.008020043373108
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1892088651657104
+Cc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1C,-1.3389853239059448
+O=C(c1ccc(F)cc1)N1CCC(Nc2ncccc2Br)CC1,-0.7517147064208984
+c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.4105119705200195
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1505593061447144
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2043275833129883
+COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6145118474960327
+O=C(NC1CCOC1)C(=O)c1ccc(N2CCCCC2)cc1,-1.442791223526001
+Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]2c2ccccc2)cc1,-1.474307894706726
+Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)no1,-1.4638007879257202
+CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.1472864151000977
+O=C(c1ccccc1O)N1CCN(Cc2cccc(Cl)c2)CC1,-1.061706781387329
+O=C(Cc1ccc(F)cc1)NC[C@H]1CC[NH+]2CCC[C@@H]2C1,-1.271363377571106
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4822368621826172
+Cc1cc(Br)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9317718148231506
+COc1cccc(C(=O)NCC2CCC(C)O2)c1,-1.6438807249069214
+O=C([O-])[C@H]1CCC[NH+]1Cc1noc(-c2ccc(F)cc2)n1,-1.0129481554031372
+Cc1ccccc1N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1,-1.02168869972229
+O=C(Nc1ccc(F)cc1)N[C@@H]1CCOC2(CCCC2)C1,-1.5567275285720825
+C=CCC(O)=NC(C)c1ccc(CNCCC(=O)O)cc1,-1.5447720289230347
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0680196285247803
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0066742897033691
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1,-1.3315231800079346
+CC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1,-1.475487232208252
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(I)c1,-1.2744897603988647
+C[C@@]1(C(=O)N2CCCCC2)CCN(C(=O)c2ccccc2)C1,-1.3868846893310547
+Cc1cccc(-n2nccc2NC(=O)N2CCC(N)C2)c1,-1.0986193418502808
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.0015981197357178
+Cc1ccc(I)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,-0.8942567110061646
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2F)CC1,-1.000775694847107
+CCn1cc(CNC(=O)c2ccc(Cl)cc2)nn1,-1.3943156003952026
+CN(C(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1)C1CC[NH2+]CC1,-0.9453816413879395
+C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1,-1.4130915403366089
+CC(C)CNC(=O)C1CCN(c2ncc3ccccc3n2)CC1,-0.874783992767334
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.5144870281219482
+O=CN1CCN(c2ccc(F)cc2)CC1,-1.7433313131332397
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0782253742218018
+C[NH+]1CCC[C@H](CNC(=O)c2coc3ccc(F)cc23)C1,-0.9998806118965149
+CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.5471620559692383
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9050537347793579
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2s1,-1.0140026807785034
+O=C(Nc1ccccc1)N1CCN(c2ccccc2)C(=O)C1,-1.4682482481002808
+COc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1,-1.2029253244400024
+CCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9427340030670166
+O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H](c2cccc(F)c2)C1,-1.016705870628357
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9364054203033447
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.0377705097198486
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872827053070068
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.43708336353302
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9548292756080627
+O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Br)cc1,-1.0999475717544556
+O=C([O-])C[NH+]1CCC(NC(=O)c2cc3ccccc3s2)CC1,-1.1098953485488892
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2089526653289795
+COc1ccc(C(=O)N2CCC([NH+]3CCC[C@H](C)C3)CC2)cc1,-1.1010304689407349
+Cc1ccc(CNC(=O)N2CCC[S+]([O-])CC2)cc1F,-1.1930465698242188
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917245626449585
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1I,-1.0039281845092773
+c1ccc(-c2nnc(CNCc3cccs3)o2)cc1,-1.567631483078003
+O=C(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9775895476341248
+[NH3+][C@H](CC(=O)NCc1ccc(F)c(O)c1)C1CCCCC1,-1.2804473638534546
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3613120317459106
+COc1ccc(C[NH+]2CC[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1,-1.1614123582839966
+C[C@@H]1C[NH+](Cc2cccc(Br)c2)CC[NH+]1Cc1ccccc1,-1.293734073638916
+C[C@H]1CCCCCN1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1,-0.9293636679649353
+Cc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1,-1.1132651567459106
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.1159313917160034
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCCO3)CC2)c(F)c1,-1.0941606760025024
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9525676369667053
+O=C(c1ccc2nc(O)ccc2c1)N1CCC(c2ccc(F)cc2)CC1,-0.5638366341590881
+CC(C)[NH+]1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1,-0.5776169300079346
+O=C(c1ccc2nc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.3854043483734131
+CCC(C)(C)C(=O)N[C@@H]1CC[NH+](Cc2cccc(Br)c2)C1,-1.2172445058822632
+Cc1ccnc(CNC2CCN(c3ccc(F)cc3)CC2)n1,-0.9250055551528931
+NC(=O)c1cc(F)c(Cl)cc1C(=O)NC1CCCCC1,-0.8141484260559082
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9747353792190552
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)nc2)c(C)c1,-1.0630319118499756
+COc1ccc(C[NH+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.4151569604873657
+O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2)CC1,-1.0496094226837158
+Cc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2Cl)s1,-0.4615481495857239
+CCOc1ccc(C(=O)N2CCOCC3(CCOCC3)C2)cc1,-1.530584692955017
+C[NH+]1CCN(c2ccc(NC(=O)C3CCOc4ccccc43)cc2)CC1,-0.9928390979766846
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4261201620101929
+Cc1cnc(NC(=O)C(=O)N2CCC[C@@H](C(C)C)C2)s1,-0.9287144541740417
+Cc1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1,-1.3083646297454834
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N)cc1,-1.2249755859375
+C[C@H]1C[NH+](C[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CCO1,-1.5370129346847534
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-0.9036161303520203
+O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1c1ccccc1,-0.8228381872177124
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)C1CCOCC1,-0.8900046944618225
+O=C(NCC1CCCCC1)Nc1ccc(O)cc1,-1.6691324710845947
+Cc1ccc([C@H]2CCN(C(=O)N[C@@H]3CC[NH+](C)C3)C2)cc1,-1.1849642992019653
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.053615927696228
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.1753089427947998
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.4419115483760834
+Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)C2)cc1,-1.5428318977355957
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2645063400268555
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9461595416069031
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2scnc2c1,-0.866411030292511
+Cc1ccc(C[C@@H](O)CNC(=O)Cc2ccccc2)cc1,-1.6381680965423584
+Cc1ccc(N)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0697007179260254
+COc1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)cc1,-1.0904479026794434
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(O)c2)CC1,-1.241707444190979
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846178531646729
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.1923389434814453
+Cc1ccccc1N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1,-0.9570443630218506
+Cc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)[NH+](C)C2)on1,-1.2684329748153687
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9445950984954834
+Cc1ccccc1N1C[C@@H](NC(=O)C2CCCCC2)CC1=O,-1.2349461317062378
+O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1c1ccccc1,-1.5374723672866821
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.0841388702392578
+Cc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.2872449159622192
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0074175596237183
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.9167226552963257
+COc1ccc(NCCOc2ccc(Br)cc2)cc1,-1.5948660373687744
+C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1,-1.2270358800888062
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758651256561279
+CC(C)c1ccc(CNc2ccc3[nH]c(=O)oc3c2)cc1,-1.185694932937622
+C[C@@H]1C[NH+](CCNC(=O)Cc2ccc(Br)cc2)CCCO1,-1.4664305448532104
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312168598175049
+CC(C)Cc1ccc(C(=O)N[C@@H]2CCC3(CCOCC3)C2)cc1,-1.4735983610153198
+O=C(Nc1cc(Cl)ccc1O)c1ccc(-c2ccccc2)cc1,-1.0603992938995361
+O=C(NC1CC[NH+](CC2CC2)CC1)C1CCCC1,-1.6082656383514404
+Cc1nc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2[nH]1,-0.8820757865905762
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2s1,-0.7947404980659485
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0093868970870972
+Oc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.3333401679992676
+CC1CCN(C(=O)COCc2ccc3c(c2)OCO3)CC1,-1.5328874588012695
+COc1ccc(C(=O)NC2CC3(CCC3)CCO2)cc1F,-1.4160521030426025
+Nc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1565158367156982
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0654609203338623
+C[NH+]1CCC[C@H](C(=O)Nc2ccc(-c3ncccc3F)cc2)C1,-0.9639729261398315
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6876767873764038
+O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CCCC2)C1,-1.4427462816238403
+Cc1cccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)c1,-1.4605176448822021
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.383630394935608
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1436268091201782
+COc1ccc(CNC(=O)c2cc(Br)no2)cc1,-1.5119988918304443
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1383038759231567
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1728055477142334
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1496081352233887
+O=C1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0065908432006836
+O=C(c1ccco1)N1CC[C@](O)(Cc2ccc(F)cc2)C1,-1.5250695943832397
+Nc1nc(-c2ccccc2)cc(NC(=O)c2ccccc2)c1N,-0.8964953422546387
+C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)CCN1c1ccccc1,-1.1262047290802002
+O=C(Nc1ccccc1-c1ccccc1)c1cc(F)ccc1Cl,-1.0211225748062134
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.693290114402771
+O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccc2)CC1,-0.9413848519325256
+C[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1,-1.237369418144226
+CC1(C)CC(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)C1,-1.478922963142395
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ncc2C)cc1,-1.1700190305709839
+Cc1ccc(N2CCC(O)(COc3ccccc3)CC2)cc1,-1.5610320568084717
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2O)CC1,-1.1483702659606934
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0367646217346191
+C[NH+]1CCN(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)CC1,-1.2184678316116333
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1032499074935913
+Cc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1284494400024414
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3830050230026245
+CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O,-1.2103756666183472
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1951498985290527
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3705476522445679
+C[C@@H]1CCCCN1c1ccc(NC(=O)Cc2ccccc2)cc1,-1.3634343147277832
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0696396827697754
+C[NH+]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.3097056150436401
+O=C([O-])C1CCN(C(=O)N[C@@H]2CCC3(CCC3)C2)CC1,-1.4000189304351807
+c1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.3727600574493408
+Cc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.2392821311950684
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.304442048072815
+Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1F,-1.3359464406967163
+CN1CC[NH+](CCC(=O)NCCc2ccc(Br)cc2)CC1,-1.4742945432662964
+C[C@H]1CCCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1,-1.3650121688842773
+CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.3730517625808716
+C[C@]1(c2ccccc2)CN(C(=O)Nc2ccccc2F)CCO1,-1.4436423778533936
+CC(C)[C@@H]1CCCCN1C(=O)c1ccc(N2CCOCC2)cc1,-1.0913140773773193
+N#Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2)cc1,-1.3559452295303345
+Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5757895708084106
+O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1,-1.6106791496276855
+CCc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1,-1.0720460414886475
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0728334188461304
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1,-1.0925893783569336
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1,-1.1123061180114746
+Cc1ccc(CNC(=O)CCc2ccc(F)cc2F)cc1,-1.1920799016952515
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.868624746799469
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9782960414886475
+Fc1ccc(OCCc2nc(-c3ccc(F)cc3)no2)cc1,-1.1898936033248901
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.965592086315155
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)[C@@H](C)C2)cc1,-1.16157066822052
+CC(C)C(Cc1ccccc1)NC(=O)c1ccc(O)cc1,-1.4692134857177734
+c1ccc(CN2CC[NH+](Cc3cccc4ccccc34)CC2)cc1,-1.2957792282104492
+COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.4579501152038574
+Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[nH]1,-1.025493860244751
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9894201755523682
+O=C(c1ccccc1)N1CC[S+]([O-])[C@H](Cc2ccccc2)C1,-1.4067786931991577
+CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5768834352493286
+Cc1cc(NC(=O)N2CCC(C(=O)[O-])CC2)ccc1I,-0.9354557394981384
+O=C(Nc1cccc(N2CC[S+]([O-])CC2)c1)[C@H]1CCCCO1,-1.410544991493225
+Cc1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)c(F)c1,-1.145505666732788
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.708533525466919
+Cc1cccc(NC(=O)[C@H]2C[C@H](c3ccc(F)cc3)C2)c1,-1.1889197826385498
+O=C(NCc1ccc(Br)cc1)N1CCO[C@]2(CCOC2)C1,-1.4908369779586792
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2807860374450684
+CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](C)C2)C1,-1.5967576503753662
+CC(C)C(=O)Nc1ccc(-c2nnc3n2CC(=O)[C@@H](C)C3)cc1,-0.5299851298332214
+CC1C[NH+](Cc2ccc(CN3CCOCC3)cc2)CC(C)O1,-1.5223567485809326
+C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCCO1,-1.442038655281067
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1F,-1.0405815839767456
+C[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC3(CCOCC3)C2)C1,-1.5584266185760498
+CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1,-1.2471026182174683
+CC1CN(c2ccc(CNc3ccccc3)cc2)CC(C)O1,-1.5492761135101318
+Cc1cccc(-c2noc(CCC(=O)N3CCOC(C)(C)C3)n2)c1,-1.196509838104248
+C[C@@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1,-1.017670750617981
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.3604592084884644
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.737011730670929
+Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cn1,-1.5303689241409302
+COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.5757983922958374
+Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c(C)c1,-1.2743676900863647
+O[C@@H]1C[C@@H](Cc2ccccc2)[NH+](Cc2ccc(F)cc2F)C1,-1.168256402015686
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)nc2)CC1,-1.2703173160552979
+C[NH+]1CC[C@]2(CCC[C@@H](CNC(=O)[C@@H]3CCCCO3)C2)C1,-1.550142765045166
+C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.3680475950241089
+Cc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2n1,-0.48788535594940186
+CC1CC[NH+](Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1,-1.4496175050735474
+O=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1c[nH]c2ccccc12,-1.113451361656189
+COc1ccc(N2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-1.1022883653640747
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1909539699554443
+CC(=O)c1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1,-1.0615154504776
+Cc1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)cc1,-1.209453821182251
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5228097438812256
+COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.4567463397979736
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.160267949104309
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764849543571472
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.014968991279602
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1O,-1.0897914171218872
+O=C(N[C@H]1CC12CCOCC2)N1CCN(c2ccccc2)CC1,-1.447514533996582
+CCCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1,-1.2786617279052734
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)N1CCC[C@@H]1c1ccccc1,-1.2292683124542236
+Cc1ccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cc1,-1.020527720451355
+O=C(NCC(=O)N1CC[C@H](C2CCCC2)C1)C1CCCCC1,-1.3038324117660522
+Cc1ccc(C(=O)NC[C@H]2COC3(CCOCC3)C2)cc1,-1.5868185758590698
+Cc1ccc(CNC2CCN(c3cccc(Cl)c3)CC2)cc1,-1.268494963645935
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.89127516746521
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1682673692703247
+O=C(Nc1cccc(O)c1)N1CCN(c2ccccc2F)CC1,-1.09895920753479
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.357014775276184
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0887585878372192
+Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.1574069261550903
+Cc1ccc(NC(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1,-1.1431372165679932
+Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3674955368041992
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0735013484954834
+O=C(O)c1nccn1CC(O)=Nc1ccc(F)cc1-c1ccccc1,-0.9035022258758545
+CC1(C)CC(NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.4437490701675415
+O[C@@]1(Cc2ccccc2)CC[NH+](Cc2ccc(F)cc2Br)C1,-1.2847472429275513
+Cn1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2n1,-0.8411494493484497
+CC(C)[C@@H](C(=O)NCc1ccc(O)cc1)c1ccccc1,-1.4626903533935547
+CC(C)C(=O)N1CCCC(CCOc2ccc(Cl)cc2)C1,-1.4061940908432007
+CN(c1ccc(Cl)cc1)S(=O)(=O)OCC1CCCCC1,-1.507767677307129
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.7204548120498657
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2167935371398926
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.059965968132019
+CCNc1ccc(C(=O)N2CC3(CC[NH+](C)CC3)C2)cc1,-1.405818223953247
+COc1cccc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)c1,-1.1766477823257446
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.63955557346344
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0601701736450195
+Cc1ccc(CNCC(=O)N2CCS(=O)(=O)C2)cc1,-1.6448428630828857
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3850260972976685
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCCC2)C1,-1.518860101699829
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.678890585899353
+C[C@@H]1C[NH2+]CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.4049897193908691
+Nc1ccc(F)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.0858731269836426
+COc1ccc(CNC(=O)c2ccc(I)s2)cc1,-1.4096750020980835
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5291732549667358
+O=C1C[C@H](NC(=O)C2CCN(c3ccccc3)CC2)CCN1,-1.3011400699615479
+Cc1cnc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)s1,-1.013350009918213
+CC(C)(C)c1ccc(CNC(=O)C2=COCCO2)cc1,-1.5626676082611084
+Cc1cc(F)ccc1N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1,-0.7343850135803223
+Cc1ccc(CNc2ccc(C)cc2-c2ccccc2)cc1,-1.4562139511108398
+Cn1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1,-1.0721689462661743
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0005768537521362
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8864283561706543
+C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1,-0.9478480219841003
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0754907131195068
+C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2cccc(Br)c2)cc1,-0.9499402046203613
+Nc1ccc(COc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.4478700160980225
+O=C(NC[C@@H]1CCCCO1)Nc1ccc(Cl)nc1,-1.5627809762954712
+Cc1ccc(CNC(=O)c2nc3cc(Br)ccc3o2)cc1,-0.9938931465148926
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2225629091262817
+C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.643754005432129
+O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cn2)CC1,-0.860703706741333
+c1ccc(CNC2CC(Cc3ccccc3)C2)cc1,-1.671440601348877
+Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)n3)CC2)s1,-0.8737977147102356
+O=C(c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1,-1.1490975618362427
+Cc1ccc(NC(=O)C2CCN(c3ncccc3F)CC2)cc1,-0.9307580590248108
+Nc1ccccc1-c1noc(CC(=O)Nc2ccc(Cl)cc2)n1,-0.9316851496696472
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9864951968193054
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536106824874878
+Nc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c(F)c1,-1.0164148807525635
+Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1236292123794556
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9743850231170654
+CC(C)(C)[NH2+]C1CCN(C(=O)CCCc2cccs2)CC1,-1.4621332883834839
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1,-0.8607385754585266
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1855536699295044
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2F)nc1,-0.8754136562347412
+Cc1ccc(-c2nn(C)cc2CNc2ccccc2C)cc1,-1.0221514701843262
+Cc1noc(C)c1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1,-0.8023273944854736
+COc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.5607311725616455
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0079957246780396
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.026945948600769
+CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1,-1.4706616401672363
+COc1ccc(CC(=O)N2CCN(C(C)(C)C)CC2)cc1,-1.337677240371704
+CCOc1ccc(C(=O)Nc2nc(C)cs2)cc1,-1.519919753074646
+Cc1cccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc12,-0.6586045622825623
+Fc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Br)cc3)C2)c1,-1.326042890548706
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948204755783081
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)CCCC2,-1.0266159772872925
+CN1C(=O)CC[C@@H]1NC(=O)c1ccccc1-c1ccccc1,-1.164937138557434
+CCNC(=O)[C@@H]1CCC[C@@H]1Oc1ccc(Br)cc1,-1.4920951128005981
+CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1,-1.265068769454956
+CN1CCN(c2ccccc2)C1=O,-1.8233439922332764
+CC1(C)CCN(C(=O)NCC[NH+]2CC(C3CC3)C2)C1,-1.465390920639038
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1,-1.292277216911316
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.038844347000122
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.3128316402435303
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0809502601623535
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CC=CCC1,-1.3903861045837402
+CC(C)(NC(=O)c1ccc(Br)cc1)C(O)c1ccccc1,-1.2748013734817505
+O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1,-1.3518298864364624
+Cc1cc(NC(=O)c2cccs2)n(-c2ccc(Br)cc2)n1,-1.0185133218765259
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.2028775215148926
+C[C@H]1C[NH+](C[C@@H]2CCCCO2)CCN1Cc1cccc(Cl)c1,-1.277815580368042
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0296308994293213
+NC(=O)CCCC(=O)Nc1ccc(Cc2ccccc2)cc1,-1.555686354637146
+Oc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.4513702392578125
+Cn1nc(-c2ccc(Cl)cc2)cc1NCc1ccc(Cl)cc1,-0.7689972519874573
+CC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1,-1.0116838216781616
+Cc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.1642898321151733
+CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2O)cc1,-1.0054690837860107
+CN1Cc2ccc(NC(=O)N3CCC(C)(C)C3)cc2C1=O,-0.9763250946998596
+CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.051384449005127
+CC(C)(C(=O)NCc1ccc(Cl)cc1Cl)N1CCOCC1,-1.0705519914627075
+O=C(Nc1ccc2nonc2c1)c1cc(-c2ccccc2)on1,-1.1965991258621216
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9665135145187378
+C[NH+]1CC[C@@H](NC(=O)NCCc2ccccc2)C1,-1.6817777156829834
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.4244792461395264
+CCCOc1ccc(NC(O)=NC(CC)c2ccccc2)cc1,-1.5003520250320435
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)nc1,-1.18587327003479
+Brc1ccc(CNCCCOc2ccccc2)cc1,-1.6363153457641602
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1905202865600586
+Cc1cc(C(C)C)ccc1NC(=O)c1ccc(F)c(Cl)c1,-0.6251275539398193
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.472153902053833
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9706535935401917
+C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1,-1.3957927227020264
+Cc1cc(NC(=O)CCOc2ccc(Br)cc2)ccc1N,-1.3847253322601318
+Oc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5676847696304321
+CC(=O)NC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1,-1.4317617416381836
+O=C(Nc1ccccc1)N1CCC[C@@H](N2CCCCC2=O)C1,-1.3433737754821777
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4904481172561646
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248910188674927
+CC1CC[NH+](CC(=O)NC[C@@H](O)c2cccc(F)c2)CC1,-1.4362833499908447
+C[NH+]1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1,-0.8686510324478149
+C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3810036182403564
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.2295055389404297
+CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)OCO2,-1.102237343788147
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2o1,-1.0874927043914795
+Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H](c2ccc(Br)cc2)C1,-0.8593955039978027
+CC(=O)N1CCC(NC(=O)Cc2cccc(Br)c2)CC1,-1.4223902225494385
+CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.5961436033248901
+[NH3+]c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.09379243850708
+COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.5228862762451172
+C[NH+]1CCC(CC(=O)NCCCc2ccc(Br)cc2)CC1,-1.4456288814544678
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.1405575275421143
+C[C@H]1CCC[C@H](CC(=O)NCc2cc3ccccc3o2)C1,-1.4685426950454712
+Cc1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0957000255584717
+O=C(c1ccc(F)cc1)N1CCCC[C@H]1[C@H](O)c1ccccc1,-1.1155304908752441
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0593490600585938
+COC1CCCCC1CNCc1ccc(Br)cc1C,-1.373773217201233
+O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.622449278831482
+C[C@@H]1C[NH+](CCNC(=O)Cc2ccc(Br)cc2)CCCO1,-1.4643033742904663
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.9441052079200745
+O=C(Nc1ccc(NCCCO)cc1)c1ccccc1,-1.6266638040542603
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1746000051498413
+Cc1nnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1,-0.7187163829803467
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.101406455039978
+CC(=O)N1CCC(NC(=O)Cc2ccc(O)cc2)CC1,-1.5379693508148193
+Cn1ccc(C(=O)Nc2cn(C)nc2C2CCOCC2)n1,-1.0607041120529175
+Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-0.9731811881065369
+Cc1cccc(Cc2noc([C@@H](C)c3ccc(Cl)cc3)n2)c1,-0.9460285305976868
+Cc1ccc(Br)cc1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1,-0.864823043346405
+C[NH+]1CCC[C@H](NC(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.3740894794464111
+C[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CCS1,-1.0796871185302734
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(O)cc1O,-1.2749488353729248
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9361416101455688
+O=C(Nc1ccccc1)C(O)=NC1CCCCC1c1cccc(F)c1,-1.1577680110931396
+COc1cc(F)ccc1C(=O)N1CCC[C@@H](N2CCOCC2)C1,-0.9971603155136108
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)nc1,-1.2255964279174805
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1,-1.1756290197372437
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3234257698059082
+Cc1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)n[nH]1,-1.3398622274398804
+CC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.5052974224090576
+O=C(Nc1cc2ccccc2s1)c1ccc(-n2cccn2)cc1,-1.0265589952468872
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023346185684204
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9354775547981262
+Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccccc2)c1C,-0.6970021724700928
+Cc1ccc(C(=O)N2CC[NH+]3CCN(c4ccc(F)cc4)C[C@H]3C2)cc1,-0.7546862363815308
+CN1CC[NH+](Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C1,-1.293491244316101
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-1.0346485376358032
+Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)c1,-1.135643720626831
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368092060089111
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0646768808364868
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.1314122676849365
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.4108622074127197
+COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.580343246459961
+C[C@@H]1OCC[NH+]([C@@H](C)C(=O)NCc2ccc(Br)cc2)[C@H]1C,-1.0755641460418701
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8433743715286255
+Nc1ccccc1C(=O)N1CCC(Cc2ccc(O)cc2)CC1,-1.1225765943527222
+NC(=O)c1csc(C(=O)Nc2ccc3c(c2)CCC3)c1,-1.0606014728546143
+Cc1ccc(NCc2ccc(O)cc2)c(-c2ccccc2)c1,-1.3447283506393433
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0277535915374756
+Nc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1,-1.0769703388214111
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9660316705703735
+CC(=O)Nc1ccc(Nc2cc3ccc(Br)cc3s2)cc1,-1.03438401222229
+O=C(C[NH2+]CC1CCCC1)Nc1cccnc1Cl,-1.4570109844207764
+CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4679489135742188
+Cc1nc2ccc(CNC(=O)[C@@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9418952465057373
+O=C(NCc1ccccc1)N1CCC(CCCO)CC1,-1.6167597770690918
+CC1=CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4454560279846191
+Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2240880727767944
+O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2s1,-0.7879412770271301
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Br,-1.1571145057678223
+CC(C)[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.559089183807373
+C[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.014238953590393
+O=C(Nc1ccc(F)nc1)C(=O)Nc1cccc(F)c1,-1.2891944646835327
+O=C(O)C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,-0.9906005859375
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.2670543193817139
+Fc1cc(CNC2CCN(c3ccccc3)CC2)ccc1Br,-1.0026224851608276
+Cc1ccc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc1,-1.4122402667999268
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0232014656066895
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H]1CC12CCOCC2,-1.3441036939620972
+O=C(C[NH+]1CCc2sccc2C1)NCc1cccc(O)c1,-1.3278357982635498
+C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.11054527759552
+Cc1ccc(C(=O)N2CCCC(Cc3ccccc3)CC2)cc1,-1.3948620557785034
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1860475540161133
+Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccs2)n1,-1.0379984378814697
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.0028573274612427
+CS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1,-1.5307334661483765
+O=C(NCCNc1ccccc1)c1ccc(Br)s1,-1.4995040893554688
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Br)cc1,-0.9723594784736633
+Fc1ccc(CNc2cc(-c3ccc(Cl)cc3)ncn2)cc1,-0.9372793436050415
+CC(=O)Nc1ccc(C[NH+]2CCOC3(CCCC3)C2)cc1,-1.5917898416519165
+C[C@@H](C(=O)NCc1ccccc1)[NH+]1CC[C@@]2(CCOC2)C1,-1.5740764141082764
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114612340927124
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2Cl)CC1,-1.0310064554214478
+CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.7526637315750122
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748092889785767
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)on1,-1.134318232536316
+Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2c2ccccc2F)cc1,-0.9648604989051819
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0044540166854858
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.131294846534729
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0012736320495605
+[NH3+]c1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9686715006828308
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2590742111206055
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0268709659576416
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400209188461304
+O=C(Cc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1,-1.270994782447815
+O=C(Cc1cccs1)N[C@@H]1CCN(c2ccc(Br)cc2)C1,-1.2169793844223022
+Cc1cc(C)cc(-c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)c1,-0.9253386855125427
+CN1CC[NH+](CCNC(=O)c2ccccc2)CC12CCC2,-1.5307420492172241
+CC[C@H]1CC(CNC(=O)c2ccc(C)o2)CCO1,-1.6375925540924072
+O=C1NCCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.309930682182312
+CN(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.3213351964950562
+O=C(c1cccnc1)N1CCC[C@H](Oc2ccc(Cl)cc2Cl)C1,-0.8539042472839355
+O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2o1,-1.194807529449463
+C[C@@H]1CN(c2cccc(NCc3ccccc3)c2)C[C@H](C)O1,-1.5025644302368164
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.2504065036773682
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.0971927642822266
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9649471640586853
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0122096538543701
+OC(Cc1ccc(CNC2CCOC2)cc1)=NC1CCCCC1,-1.5014196634292603
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3797773122787476
+CN1CC[NH+](Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C1,-1.26276433467865
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565184354782104
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.0914069414138794
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.380074143409729
+O=C(Nc1ccc(-n2cccn2)cc1)c1coc2ccccc12,-1.1375181674957275
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0714985132217407
+CC1(C)CC(C)(CNC(=O)[C@@H]2CC23CCOCC3)C1,-1.604446291923523
+CC1(C)CC([NH2+]Cc2cccc(F)c2)C1,-1.707965612411499
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1530876159667969
+O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]1Cc1ccccc1,-1.1639893054962158
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.235870122909546
+c1nc(CNCC2CCCC2)n(C2CCCCC2)n1,-1.4608750343322754
+Cc1ncsc1NC(=O)c1csc(-c2ccc(F)cc2)n1,-0.7130001187324524
+Cc1ccc(C[C@H](O)CNC(=O)Cc2ccccc2)cc1,-1.6399273872375488
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cn1,-1.2839218378067017
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0096147060394287
+Cc1cc(NCc2cccc(C(F)(F)F)c2)ccc1Br,-0.9467184543609619
+O=C(O)CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1,-1.3896372318267822
+C[C@H]1CCCN(C(=O)NC(=O)c2ccc(F)c(F)c2)C1,-0.9178935885429382
+c1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1,-1.054976463317871
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3C)CC2)cc1,-1.0956133604049683
+O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CCc2ccccc2C1,-1.1451529264450073
+Cc1cc(O)ccc1C(=O)NCc1ccc2c(c1)CCO2,-1.17080819606781
+C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.3241771459579468
+O=C(NC1CCN(c2ccccc2)CC1)C(=O)N1CCCC1,-1.4087169170379639
+Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.1685422658920288
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3590322732925415
+O=C(NCc1ccc(O)cc1)N1CCOC2(CCCC2)C1,-1.5695643424987793
+Cc1nc(C(=O)N2CCC[C@@H]2Cc2ccc(Cl)cc2)cs1,-0.8393197059631348
+CN1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2035490274429321
+CC1CN(C(=O)Nc2ccc(C(=O)O)cc2)CC(C)O1,-1.4907654523849487
+C[NH+]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1,-1.0129932165145874
+CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,-0.8459646701812744
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0456647872924805
+C[C@H]1C[C@H]2CN(C(=O)NCc3ccc(Br)cc3)CC[NH+]2C1,-0.971012532711029
+O=C(Cc1ccccc1O)NC1CCN(c2ccccc2)CC1,-1.5014225244522095
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0166329145431519
+CCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1C,-1.0114115476608276
+Cc1cnc2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc2c1,-0.6097955703735352
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)cc1,-1.0038455724716187
+O=C(NCc1ccccc1F)N1CCOC2(CCCOCC2)C1,-1.4978070259094238
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907997131347656
+CC1(C)CN(c2ccc(NCc3ccccc3)cc2)CCO1,-1.5539684295654297
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2739967107772827
+CC(C)N=C(O)CNc1cccc(CN2CCC(O)C2)c1,-1.5280334949493408
+C[C@H](C(=O)NC[C@H](O)c1ccc(Br)cc1)c1ccccc1,-1.2919265031814575
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898282289505005
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3770841360092163
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9933803081512451
+O=C(c1ccc(F)cn1)N1CC[NH+](Cc2ccccc2O)CC1,-1.0266355276107788
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2985600233078003
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.0795557498931885
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4657862186431885
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nc2)cc1,-1.183434247970581
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0799856185913086
+Fc1ccc(N2CCC(COc3ccc(Cl)cc3)CC2)cc1,-1.1782790422439575
+CC(C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1,-1.3070710897445679
+Cc1ccc(OCCNC(=O)c2ccon2)cc1,-1.6719235181808472
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.2802551984786987
+O=C(Cc1ccc(I)cc1)NCCc1ccc(Cl)cc1Cl,-0.961741030216217
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9949353933334351
+Cc1cc(Cl)ccc1C[NH+]1CCC(Cc2ccccc2)CC1,-1.360967755317688
+O=C(C[NH+]1CC[NH+]2CCCC2C1)NCc1ccc(Cl)cc1,-1.2161601781845093
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1442567110061646
+Cc1c(O)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1306695938110352
+CCc1ccccc1C(=O)NC[C@@H](O)C1CCOCC1,-1.5661741495132446
+O=C(C[NH+]1CCN(c2ccc(Br)cc2)CC1)Nc1ccccc1,-1.2956128120422363
+O=C1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1,-1.4777164459228516
+C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.1273653507232666
+C[NH+]1CCC(CC(=O)NC[C@@H]2CC3(CCC3)O2)CC1,-1.643586277961731
+CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1,-1.117445468902588
+O=CNC1CCN(CC(F)(F)F)CC1,-1.7419960498809814
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[NH+]1CCCCCC1,-1.3148114681243896
+CN1CCN(c2ccc(CNc3ccc(Cl)cc3)cn2)CC1,-1.0717555284500122
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5477131605148315
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0343064069747925
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.2746121883392334
+O=C([C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CC[C@@H](Cc2ccccc2)C1,-1.1529314517974854
+Cc1ccc(-c2ccc(OCc3ccc(Br)cc3)cc2)cc1,-1.4113982915878296
+Nc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9737842679023743
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.3203240633010864
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3867405652999878
+Fc1ccccc1CNCCc1ccc(Cl)cc1Br,-1.0141804218292236
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4298080205917358
+Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.2633168697357178
+O=C(Nc1ccc2n[nH]nc2c1)c1ccc(C2CCCC2)cc1,-0.8920845985412598
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577802896499634
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.021260142326355
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl,-0.901443362236023
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1Cl,-0.9715866446495056
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(Cl)c1,-1.0670300722122192
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9259072542190552
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9905728697776794
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0676724910736084
+Cc1ccc(CC(=O)N[C@H](CO)c2ccc(Br)cc2)cc1,-1.2923282384872437
+O=C(NCc1cccc(F)c1)N1CCO[C@@]2(CCOC2)C1,-1.5692554712295532
+O=C(COc1ccc(Br)cc1)N[C@@H]1CCc2[nH]ncc2C1,-1.1075193881988525
+Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1,-0.9409321546554565
+CC(C)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.3814815282821655
+Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)n[nH]1,-0.7250924110412598
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9207963347434998
+CC(C)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.022972583770752
+Nc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6801987886428833
+COc1ccc([C@H]2C[C@@H](O)C[NH+]2Cc2ccc(O)cc2)cc1,-1.3808764219284058
+C[C@H]1CCN(C(=O)Cc2ccc(OC3CCCC3)cc2)C1,-1.5297271013259888
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.1367675065994263
+CCOc1ccc(C(=O)N2CCOC(C3CCOCC3)C2)cc1,-1.4809385538101196
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2915513515472412
+O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc(-c2ccccc2)ccc1F,-0.9508951306343079
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1424856185913086
+Cc1ccc(CC2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1417304277420044
+O=C(N[C@H]1CCN(C2CCCCC2)C(=O)C1)C1CCCCC1,-1.225401759147644
+O=C(c1ccc(Cl)cc1)N1CCC[C@H](Nc2ccccc2)CC1,-1.2143057584762573
+Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3C)CC2)o1,-1.1625330448150635
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033779382705688
+O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1,-1.503119707107544
+Cc1cccc(-n2ccc(C(=O)Nc3cnn(C)c3)n2)c1,-1.1532176733016968
+CN1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1929049491882324
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9542772769927979
+CC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1,-1.4876072406768799
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(O)cc1,-1.311443567276001
+CN1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.2724581956863403
+CC1(C)C[NH+](CCNC(=O)c2ccc(Br)cc2)CCCO1,-1.4685838222503662
+O=C(N[C@@H]1CCCC[C@H]1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8515424728393555
+Fc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.100752830505371
+CCOc1ccc(NC(=O)CC2CCCC2)cc1,-1.671128511428833
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9953033328056335
+CC[C@]1(O)CCN(C(=O)NCC2CCCCC2)C1,-1.6709582805633545
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119969129562378
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2159717082977295
+CC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)C[C@@H]1C,-1.1948009729385376
+C[C@@H](C(=O)NCc1ccc(F)cc1Br)c1ccc(Cl)cc1,-0.8554584383964539
+O=C(N[C@@H]1CCO[C@H]1C1CCCCC1)[C@H]1CC12CCCC2,-1.447509765625
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9334885478019714
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4216972589492798
+Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.0583534240722656
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1I,-1.015191912651062
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)N1CCCCCC1,-1.332871913909912
+COc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2)cc1,-1.5725358724594116
+CC[C@@H](Cc1ccc(O)cc1)NC(=O)C1CC[NH+](C)CC1,-1.545486330986023
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4741064310073853
+Cn1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)n1,-1.2082343101501465
+NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1,-1.292870283126831
+Cc1nc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2o1,-1.1019912958145142
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3124109506607056
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.941673994064331
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9298073649406433
+O=C(C1CC[NH+](CCc2ccc(Br)cc2)CC1)N1CCCCC1,-1.176455020904541
+Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2o1,-1.1996694803237915
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.070872187614441
+COC(=O)c1ccc(N2CCN(C3CCCCC3)C2=O)cc1,-1.1391479969024658
+CC(CCC(=O)OCc1ccccc1)C(=O)c1ccccc1,-1.5598734617233276
+O=C(Nc1cc(F)ccc1N1CCOCC1)c1ccccc1F,-1.1045279502868652
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1,-1.07932448387146
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1328476667404175
+Clc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(Cl)cc2)cc1,-1.0362972021102905
+O=C(Nc1ccc2occc2c1)c1csc(-c2ccccc2)n1,-1.0313729047775269
+O=C(NCc1ccccc1O)[C@H]1C[C@@H](O)C12CCCCC2,-1.4316320419311523
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3203587532043457
+COc1cc(C(=O)NCc2ccc(Br)cc2)on1,-1.5166338682174683
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.2639979124069214
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)on1,-1.1981863975524902
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@H](C)CO1,-1.4423493146896362
+COc1ccc(OC2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.4414650201797485
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1756292581558228
+O=CN[C@@H]1CCC[C@H]1c1ccccc1,-1.7901670932769775
+Cc1ncc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)[nH]1,-0.879645586013794
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCSCC2)cc1,-0.8283615112304688
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9841965436935425
+O=C(NCC1CCCCCC1)N1CCO[C@@]2(CCC[NH2+]CC2)C1,-1.5502017736434937
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.064033031463623
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl,-0.7503563761711121
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.15047287940979
+C[C@@H](CC(=O)NCc1ccccc1)CC(=O)c1ccccc1,-1.5676504373550415
+O=C(c1ccc(F)cc1Br)N1CCC(OCC(F)(F)F)C1,-0.7887781262397766
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0193809270858765
+COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6035475730895996
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2896760702133179
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1,-1.1651688814163208
+Cc1ccccc1N1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](C)C2)C1,-1.0505719184875488
+Nc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(Cl)c1,-0.8372596502304077
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653540253639221
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0643178224563599
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.8344364166259766
+Cc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1C,-1.2486059665679932
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2233409881591797
+Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2421754598617554
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5272520780563354
+Cc1ccc(CN2CCN(C(=O)C3CCCCCC3)CC2)cc1,-1.3193573951721191
+CC1(C)CC[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1,-1.054787278175354
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4090667963027954
+O=C(N[C@@H]1CC12CCCC2)c1ccc(-n2cccn2)cc1,-1.3594669103622437
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238714456558228
+O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2I)cc1,-1.1957803964614868
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0043517351150513
+C[C@H]1CN(C(=O)c2ccncc2Cl)CC[NH+]1Cc1ccccc1,-1.0171117782592773
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1428261995315552
+Nc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9746368527412415
+Cc1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1F,-0.5351355671882629
+CCN1CCN(C(=O)C2CCN(c3ccc(C)cc3)CC2)CC1,-1.0387605428695679
+Cc1ccc(CN=C(O)COCc2ccc(O)cc2)cc1,-1.5691286325454712
+Cc1nc2ccc(CNC3CC(c4ccccc4)C3)cc2s1,-0.9047989845275879
+CC[NH+]1CCN(C(=O)c2ccccc2N2CC[NH+](C)CC2)CC1,-1.055185079574585
+Cc1ccn2c(CNC(=O)Cc3ccccc3)cnc2c1,-1.3347498178482056
+O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1548898220062256
+Cc1ccc(-c2ncc(NCc3ccc(Cl)cc3)nn2)cc1,-0.8993207812309265
+COc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.5308722257614136
+O=C(NCc1ccc([O-])c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8903762698173523
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2194364070892334
+Cn1cc(-c2ccc(NC(=O)C3CCCCCCC3)cc2)cn1,-1.2793306112289429
+C[C@]1(NC(=O)c2ccccc2)CCN(c2ccccc2)C1=O,-1.390295147895813
+COc1ccc(CNC(=O)c2cc(Br)no2)cc1,-1.512622594833374
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1095116138458252
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cc1,-1.1054867506027222
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1,-1.266901969909668
+Fc1ccc(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.2656323909759521
+O=C(Nc1ccccc1)c1cccc(N=C(O)c2ccc(Cl)cc2)c1,-1.0712815523147583
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.1145049333572388
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2389342784881592
+Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[C@H]3O)CC2)cc1,-1.2344862222671509
+[NH3+]c1cc(F)ccc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.1023246049880981
+CC1(C)CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.3189584016799927
+O=C(Nc1ccc(N2CC[S+]([O-])CC2)cc1)[C@@H]1CCCCS1,-1.1148412227630615
+Cc1ccc(F)c(CNC(=O)[C@H]2CCS(=O)(=O)C2)c1,-1.5252964496612549
+c1ccc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)no2)cc1,-1.1730562448501587
+CC[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.9257006645202637
+O=C([C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc(O)cc2)CC1,-0.8589182496070862
+COc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccc(Br)cc2)cc1,-1.053415060043335
+O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=COCCC1,-1.5454833507537842
+Cc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1,-1.0345875024795532
+CC1(C)CCN(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1,-0.7366141676902771
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ncccc1F,-0.9132158756256104
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0853959321975708
+Cc1ccc(-c2cc(C)ccc2NCc2ccccc2)cc1,-1.3092937469482422
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9615398049354553
+CCOc1ccc(-c2nn(C)cc2-c2ccc(F)cc2)cc1,-1.1005388498306274
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9849528074264526
+Fc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.3234823942184448
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1,-1.304397702217102
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.070758581161499
+Cc1ccc([C@H]2CCC[C@H]2C(=O)Nc2cnn(C)c2)cc1,-1.1404755115509033
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1855477094650269
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1cccc(Br)c1,-0.9391655325889587
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.3978149890899658
+Cc1ccccc1C(=O)Nc1c(C)cccc1-c1ccccc1,-1.0483664274215698
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2251306772232056
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1614190340042114
+CC(C)(C)C(=O)N1CCN(C(=O)c2c(F)cc(F)cc2F)CC1,-0.2873417139053345
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.22394597530365
+COc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.2446445226669312
+Cc1ccc(SCC(=O)NC[C@H]2CCCCO2)s1,-1.5870894193649292
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(N)cc1,-1.5190297365188599
+C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4511374235153198
+COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9985411167144775
+Cc1ccc(CNC2CCCCC2c2ccc(F)cc2)cc1,-1.154079556465149
+O=C(c1ccc2nc([O-])ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5355010628700256
+O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6724649667739868
+Cc1ccc(C(=O)N[C@H]2CCC[NH+](C3CCCCCC3)C2)cc1,-1.2796720266342163
+Cc1ccc(C(=O)NC2CCN(CC(=N)O)CC2)cc1,-1.499526023864746
+Cc1cccc(OCC(=O)N2CCN(C3CCCCC3)CC2)c1,-1.4938071966171265
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(O)cc1O,-1.1667128801345825
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1883344650268555
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCCC[C@H]1O,-0.9636451601982117
+Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(F)c1,-0.9766103029251099
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1907305717468262
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7933138012886047
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.958115816116333
+COCCNc1ccccc1C[NH+]1CCN(C)CC1,-1.6264604330062866
+CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1,-1.1364002227783203
+Cc1cc(C(=O)NC2CCCC2)nn1-c1ccc(F)cc1,-0.9806151390075684
+C#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6405785083770752
+C[C@@H]1CCC[C@H](CNC(=O)Cn2ccc3ccccc32)C1,-1.3228051662445068
+O=C1COc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2N1,-1.032209873199463
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.613980770111084
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1997166872024536
+O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1,-1.3370698690414429
+CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,-1.5285481214523315
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1441497802734375
+Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46213454008102417
+Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)s1,-1.0873667001724243
+c1ccc(-c2noc(C[NH+]3CCC(c4ccccc4)CC3)n2)cc1,-1.2422852516174316
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1822104454040527
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.017642617225647
+C[C@H]1COCCN1c1cccc(NC(=O)CC2CCCCC2)c1,-1.420129418373108
+O=C(Nc1ccc(C2CCCC2)cc1)c1cc2ccccc2s1,-1.033178448677063
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1,-1.2710119485855103
+CC(C)(O)CC(=O)Nc1ccc(CN2CCOCC2)cc1,-1.6028622388839722
+Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2853608131408691
+Fc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3)C2)cc1,-1.1833378076553345
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9622458815574646
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F,-0.9904008507728577
+C[NH+]1CCN(c2ccc(COc3cccc(Cl)c3)cc2)CC1,-1.272178053855896
+C[NH+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Br)cc2)C1,-0.9959432482719421
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0392770767211914
+CC1Cc2cc(NC(=O)COc3ccccc3)ccc2O1,-1.5241397619247437
+C[NH+]1CCC[C@H](NC(=O)N2CCC[C@H](C(C)(C)C)CC2)C1,-1.184217929840088
+Cc1ccccc1CC(=O)N1CCC(Oc2ccccc2)CC1,-1.4693869352340698
+CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)cc1,-1.636613368988037
+NCc1ccc(Cl)cc1,-1.903597354888916
+CC(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1,-0.7811322212219238
+CCN1CC[NH+](C2CCN(C(=O)c3ccccc3Cl)CC2)CC1,-0.9514699578285217
+Cc1ccc(NC(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1,-1.1810479164123535
+COc1ccc(C(=O)NCc2cnc(C)s2)cc1,-1.4429967403411865
+CC(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9752492308616638
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.0594356060028076
+Cc1cc(F)ccc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1,-1.0613939762115479
+O=C1CN(C(=O)C2CCCCC2)CCN1Cc1ccccc1,-1.379408597946167
+CC(C)(C)C[NH+]1CCC(O)CC1,-1.8586938381195068
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4426182508468628
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.5588496923446655
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439661502838135
+O=C(O)CC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.5274583101272583
+c1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)no2)cc1,-1.1997339725494385
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1,-0.8906770348548889
+CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(Cl)cc1,-1.394744873046875
+O=C(Cc1ccc(F)cc1)NCc1nnc2ccccn12,-1.1117531061172485
+Nc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,-0.7898383736610413
+CCNC(=O)CCCCCN=C(O)COc1ccc(Br)cc1,-1.4888665676116943
+CC1CCC2(C1)C[C@@H](CNC(=O)C1CCCCC1)CCO2,-1.5527260303497314
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cn1,-1.3018467426300049
+CC(C)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1,-1.2942323684692383
+O=C(NCCc1ccccc1)N1CCOC2(CCCCCC2)C1,-1.620102047920227
+CC(=O)Nc1ccccc1NCC1CCCCC1,-1.694248914718628
+CCNc1cccc(NC(=O)c2ccc(Br)s2)c1,-1.4667469263076782
+Cc1nc2ccc(CNC(=O)N3CCC[C@@H](C)C3)cc2o1,-1.1719554662704468
+C[NH+]1CCC(NC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1,-1.1011055707931519
+O=C(Nc1cc(Cl)ccc1O)N1CCN(c2ccccc2)CC1,-1.139728307723999
+C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1C,-0.580803394317627
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.994826078414917
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.1762542724609375
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599950909614563
+CCOC(=O)c1cccc(NC(=O)C(C)C)c1,-1.6482092142105103
+Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3053888082504272
+O=C(Nc1ccc(O)cc1)c1cc(-c2ccccc2)ccc1O,-1.220502495765686
+OC(C[NH+]1CCN(Cc2ccccc2)CC1)=NCc1cccs1,-1.4938665628433228
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4658094644546509
+CC(C)(O)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6688417196273804
+CCCC[C@H]1CCCN(C(=O)NCc2ccccc2)C1,-1.6099501848220825
+Cc1ccccc1N1CCC[C@H](NC(=O)c2ccc(Cl)cn2)C1,-0.8575180172920227
+c1ccc(-c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1,-1.2675527334213257
+O=C1CCC[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.363707423210144
+O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2o1,-1.2775170803070068
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1097843647003174
+Cc1ccc(C(=O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4351552724838257
+O=C(NCc1cccc(Cl)c1)N1CCC2(CCCCC2)C1,-1.5173089504241943
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8379853963851929
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.1203900575637817
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2727302312850952
+[NH3+]C1CCN(C(=O)NC[C@H]2Cc3ccc(F)cc3O2)CC1,-1.1068751811981201
+C[C@@H]1CCCN(c2ccc(NCc3ccc(F)cc3)nn2)C1,-0.9904646873474121
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0387792587280273
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(N)cc2)C1,-1.3385967016220093
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1300380229949951
+O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1,-0.9303328394889832
+Nc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Br,-1.0224627256393433
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)[C@H](C)C2)cc1C,-0.6306136250495911
+COc1ccc(CNC(=O)c2cnc(C)o2)cc1,-1.6211422681808472
+C[C@H]1CCC[NH+](CCC(=O)NCCc2ccc(Cl)cc2)C1,-1.4761086702346802
+Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.2972394227981567
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9196714162826538
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1736916303634644
+CC1(C)CCN(C(=O)CNC(=O)c2ccccc2)CC1,-1.56052827835083
+O=C(Nc1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1,-0.9084961414337158
+Cc1cccnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0027942657470703
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238535642623901
+CC1CC(C)C[NH+](CC(=O)NCC(Cl)c2ccccc2)C1,-1.246147632598877
+CC(C)(C)C(=O)N1CCC(OCc2cccc(Cl)c2)CC1,-1.3747427463531494
+O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=COCCC1,-1.5440291166305542
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.325275182723999
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9634855389595032
+CCC1CC[NH+](Cc2ccc(-c3ccc(C)c(F)c3)s2)CC1,-0.9075121283531189
+Nc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.565104603767395
+O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](Cc2ccccc2)C1,-0.9132973551750183
+O=C(Cc1ccc([O-])cc1)NC[C@@H](O)Cc1ccccc1,-1.5935728549957275
+O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1ccccc1F,-0.9495289325714111
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1058865785598755
+O=C(Nc1ncccc1O)C1CCN(c2ccc(F)cc2)CC1,-0.9546142220497131
+O=C(NCC1CC1)c1ccc(-c2ccccc2)s1,-1.5754103660583496
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9334220290184021
+Cc1ccc2nc(CNC(=O)Cc3ccccc3)[nH]c2c1,-1.3729151487350464
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)o3)C2)cc1,-1.3250555992126465
+CC(C)C(CN1CCN(C)CC1)NC(=O)C1CCCCC1,-1.2762131690979004
+Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1,-0.9591413736343384
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1682353019714355
+N#Cc1ccc(C(=O)Nc2ccnn2-c2ccccc2)cc1,-1.2817591428756714
+CCOc1ccc(NC(=O)c2cc(N)no2)cc1,-1.6144572496414185
+O=C(c1cc(F)ccc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0484809875488281
+O=C(NC1CCCC1)N1CCC[C@H]1c1ccc(Cl)c(F)c1,-0.8375949859619141
+O=C(c1ccccc1)N1CCNCC1,-1.7865639925003052
+O=C(NCc1ccc(O)cc1)Nc1ccccc1,-1.6896997690200806
+NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-0.9866262078285217
+Cn1ncnc1CNC(=O)Nc1ccc(Br)cc1,-1.22328519821167
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccncc1Cl,-0.8057532906532288
+Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3315632343292236
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.5497888326644897
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3006513118743896
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1,-1.0542811155319214
+Clc1ccc(-c2ccc(Cl)cc2OCc2ccccc2)cc1,-1.1047710180282593
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.036476731300354
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.035386562347412
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.5145108699798584
+CCC(C)C(=O)N1CCC(COc2ccc(Cl)cc2)CC1,-1.2378857135772705
+O=C(Cc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1,-1.2606337070465088
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.1298532485961914
+CC(C)(C)CNC(=O)C(=O)Nc1ccc2[nH]ncc2c1,-1.1969314813613892
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.737262487411499
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3167918920516968
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NCCO2,-1.2528963088989258
+Cc1nc(-c2ccccc2N2CCN(C(=O)C(C)(C)C)CC2)no1,-0.7496921420097351
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0272976160049438
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9249461889266968
+Cc1nc2c(s1)CC[NH+](CC(=O)NCc1ccccc1)C2,-1.068321704864502
+OC(=Nc1sccc1CNCC1CCCCC1)C1CCCCC1,-1.3167787790298462
+O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8582873940467834
+Cc1cnc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-0.9394326210021973
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.186591625213623
+O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCC2(CCCCC2)C1,-1.0270535945892334
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1189017295837402
+O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1ccc(Cl)cc1,-0.9141588807106018
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2752010822296143
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4636021852493286
+Cc1cc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)ccc1Br,-0.6527209281921387
+CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1,-1.1409082412719727
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0324833393096924
+O=C(c1ccc(F)cc1O)N1CCN(CC2CCCCC2)CC1,-0.9815312623977661
+O=C(N[C@@H]1CC[S+]([O-])[C@H](c2ccccc2)C1)c1ccccc1,-1.334930658340454
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202118396759033
+Fc1cc(CNc2ccc(Cl)cc2)ccc1N1CCOCC1,-1.1374224424362183
+Cc1cccnc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9303790926933289
+O=C(Nc1c[nH]c2ccccc12)c1ccc(N2CCCC2)cc1,-1.1162842512130737
+NC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1,-1.0129296779632568
+O=C(c1csc(-c2cccs2)n1)N1CC[C@H](c2ccccc2)C1,-0.9350906014442444
+O=C(Nc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1,-0.8422060012817383
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3s2)cc1,-1.032823085784912
+CC(C)(F)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.094711422920227
+C[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCO2,-1.496556282043457
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc12,-0.8073709011077881
+Nc1ccc2cc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2n1,-0.4764200747013092
+COc1ccc(CNC(=O)C2CCC=CCC2)cc1,-1.6304528713226318
+Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.0474551916122437
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1,-1.162688970565796
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.1038364171981812
+O=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccoc2)CC1,-1.1776008605957031
+O=C(NCCc1ccc(Br)c(Cl)c1)c1cc(F)ccc1F,-0.6545273661613464
+c1ccc(Cc2noc(Cc3ccc4c(c3)OCO4)n2)cc1,-1.3412936925888062
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069467544555664
+O=C(NC[C@@H](O)Cc1cccc(O)c1)c1ccc(Br)cc1,-1.4030135869979858
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.198380947113037
+O=C(Cc1ccccc1)N1CCN(c2cc(F)c(F)c(F)c2)CC1,-0.7275591492652893
+Clc1ccc([NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1Cl,-0.9301712512969971
+Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1130560636520386
+Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1F,-0.8000234365463257
+CC1(C)CCCC1NC(=O)COc1ccc(Br)cc1,-1.4851882457733154
+O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)c[nH]1,-0.6999853253364563
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.708066463470459
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(F)cc1,-1.0088305473327637
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Br)c1,-1.278626561164856
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8833891153335571
+CC(=O)Nc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1,-1.6339408159255981
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2449790239334106
+c1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1,-1.251606822013855
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9358997941017151
+C[NH+]1CCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1,-1.0086034536361694
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0310945510864258
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198296308517456
+Cc1nc2c(s1)CCN(C(=O)NCc1cccc(Cl)c1)C2,-0.6547544598579407
+Oc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1F,-1.4383807182312012
+CC(C)C[C@H]([NH3+])C(=O)NCCNC(=O)C(C)(C)C,-1.5242161750793457
+O=C(NCC(O)=NCCc1ccccc1)c1ccc(O)cc1,-1.5396443605422974
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0954315662384033
+O=C(NCC(O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1961390972137451
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060186624526978
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(O)c1,-1.0745819807052612
+O=C(Cc1ccc(C(=O)O)cc1)Nc1ccc(F)cc1,-1.5174760818481445
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3146618604660034
+O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0485352277755737
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.003745436668396
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.22189462184906
+O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F,-1.0414413213729858
+C[C@H]1C[NH+](Cc2ccccc2C(=O)N2CCOCC2)CCCO1,-1.465574860572815
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0783705711364746
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-1.004577875137329
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4331247806549072
+Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1c1cccc(Cl)c1,-0.906672477722168
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8324640393257141
+O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5404582023620605
+CC1(C)CCCN(C(=O)C(=O)NCc2ccccc2)C1,-1.5694624185562134
+Cc1nn(C)c2ccc(C(=O)NCc3ccccc3)cc12,-1.0066707134246826
+O=C([C@@H]1CCCC[C@@H]1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.03938889503479
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1885260343551636
+CC1(C)CN(C(=O)C(=O)NCc2ccccc2)CCO1,-1.6172844171524048
+Oc1ncc(NCc2ccc(Cl)cc2)c(-c2ccccc2)n1,-1.0078219175338745
+O=C(COc1ccccc1)Nc1ccc(CCO)cc1,-1.6967623233795166
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9007465839385986
+Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1,-1.573387622833252
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.988788902759552
+Cc1nnsc1CNC(=O)Nc1cccc(Br)c1,-1.1558560132980347
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0998674631118774
+Cc1ccccc1C(=O)N1CCC(Cc2cccc(Cl)c2)CC1,-0.9994975328445435
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3127448558807373
+CC1(C)CN(C(=O)Nc2cccc(C(=O)[O-])c2)CCO1,-1.5664687156677246
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.8735736012458801
+O=C(Nc1cccc(-c2ccccc2)c1)C1CC2CCCC2N1,-1.1267342567443848
+Cc1[nH]c2ccc(Br)cc2c1C(=O)NC[C@@H]1CCCCO1,-0.8923084735870361
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n1,-1.048717975616455
+C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC[C@H]1c1ccccc1,-1.0621486902236938
+CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(Br)cc1,-1.4452571868896484
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954633474349976
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.2517176866531372
+C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.9730308651924133
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1877402067184448
+O=C(Nc1ccccc1C(F)(F)F)c1ccc(O)cc1F,-0.8986638188362122
+O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2[nH]1,-1.3529722690582275
+CC(C)CC(=O)NC[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.2801371812820435
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8553023338317871
+O=C1CN(C(=O)Nc2ccccc2-c2ccccc2)CCN1,-1.3410543203353882
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-0.984072744846344
+O=C(N[C@H]1CCC[NH+](C2CCCCCC2)C1)c1ccc(F)cc1,-1.1771373748779297
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.2178606986999512
+O=C(NC1CCN(c2ccccc2)CC1)C12CCC[C@H]1[NH2+]CC2,-1.2217406034469604
+C[NH+]1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1,-1.0379269123077393
+CN1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.5111125707626343
+Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.9981830716133118
+CCOc1cc(Br)ccc1NC(=O)c1cscn1,-1.2877241373062134
+Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)cc1F,-0.9591691493988037
+O=C(NC1CCN(c2ncccc2O)CC1)c1ccc(F)cc1,-1.0890077352523804
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n[nH]1,-0.7683400511741638
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5067309141159058
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.034824013710022
+COc1ccc(C(=O)NCc2ccc(Cl)s2)cc1,-1.4341896772384644
+Clc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.100123405456543
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0768086910247803
+Cc1nc(C)c(C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)s1,-0.5893285870552063
+C[C@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-0.9600488543510437
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3384877443313599
+O=C(N[C@H]1Cc2nc(C3CCCCC3)sc2C1)[C@@H]1CCCCO1,-0.8268757462501526
+c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1,-1.268826961517334
+C[NH+]1CCC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3O)CC2)C1,-1.1223808526992798
+Cn1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)n1,-0.893869161605835
+CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.2709524631500244
+O=C(NC[C@H]1CCCCO1)N1CC[C@H](O)C2(CCCC2)C1,-1.5477988719940186
+Oc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.4408199787139893
+Clc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Br,-1.008775234222412
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1,-0.9658282995223999
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0874963998794556
+Fc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.1593884229660034
+Cc1ccc(C(=O)Nc2cn(C)nc2-c2cccs2)cc1,-1.0652178525924683
+O=C(N[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1O,-1.1371517181396484
+COc1ccc(C(=O)N2CCC(OCCO)CC2)cc1,-1.5708593130111694
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1O,-1.0183154344558716
+C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CC[C@H]1c1ccccc1,-0.9420359134674072
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839805841445923
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.0624920129776
+Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.118116021156311
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-1.0480071306228638
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.1836750507354736
+Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1C,-1.51231849193573
+O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2F)CC1,-1.013099193572998
+CC(C)c1ccc(NC(=O)c2c(F)cc(F)cc2Cl)cc1,-0.5268840193748474
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)no1,-1.338858962059021
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@](C)(c3ccccc3)C2)C1,-1.553862452507019
+CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2490299940109253
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1314135789871216
+CC1(C)CN(C(=O)NCc2cc3ccccc3o2)CCO1,-1.5364584922790527
+Cc1ccc(N2CCN(C(=O)c3ccc(C)c4cccnc34)CC2)cc1,-0.5438975095748901
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cc1,-1.1768970489501953
+C[C@@H]1C[C@H](CC(=O)N2CCC(Cc3ccccc3)CC2)CCO1,-1.480164885520935
+C[C@H](Nc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.497907280921936
+Cc1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)n[nH]1,-1.1446166038513184
+Cc1ccc(CNC(=O)CC(O)CN2CCCCC2)cc1,-1.6278318166732788
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.064616322517395
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0249422788619995
+CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1,-1.1425576210021973
+c1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1,-1.2247756719589233
+O=C(Nc1ccc(O)cc1)N1CCCCCC1,-1.6936500072479248
+Cc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1,-1.5568372011184692
+Nc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2403877973556519
+O=C(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.6028815507888794
+O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431961059570312
+COc1ccc(C(=O)N2CCN(c3ccc(I)cc3)CC2)cc1,-0.9624678492546082
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.4206790924072266
+CCNC(=O)C(=O)NCCc1ccc(Br)cc1,-1.6100033521652222
+C[C@@H]1CN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C[C@H](C)O1,-1.24611496925354
+Clc1ccc(NCc2ccc(Br)cc2)c(-c2ccccc2)c1,-1.0081065893173218
+Cc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.901003360748291
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)o1,-1.1647032499313354
+O=C(c1ccc(O)cc1F)N1CCC[C@@H](Cc2ccccc2)C1,-1.1065633296966553
+O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2o1,-1.1942212581634521
+O=C1NCCN(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1,-1.5012904405593872
+CC(C)(O)CC(=O)NC[C@@H]1CCO[C@H](c2ccccc2)C1,-1.595476508140564
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.447644829750061
+Cc1ccc(CNC(=O)c2coc3ccc(C)cc23)cc1,-1.2025086879730225
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3198456764221191
+C[C@@H]1CN(CC2CCOCC2)CC[NH+]1Cc1ccc(F)cc1,-1.3448973894119263
+Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.4007238149642944
+Cc1ccc(C(=O)Nc2coc(-c3ccc(Cl)cc3)n2)s1,-0.9520700573921204
+CC(C)(CNC(=O)c1ccc(I)cc1)c1ccc(F)cc1,-1.038236141204834
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.4594604969024658
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329939842224121
+CC(C)(C)C(=O)Nc1ccc(CN2CCNC2=O)cc1,-1.4174693822860718
+CCC(O)=Nc1cc(F)ccc1NC(=O)Cc1ccc(F)cc1,-1.0263099670410156
+O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(Cl)nc1,-1.0346623659133911
+Cc1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1C(C)(C)C,-0.8087895512580872
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0207103490829468
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5053346157073975
+c1ccc(CC2CC23CN(Cc2ccccc2)CCO3)cc1,-1.5863728523254395
+O=C(c1ccc2c(c1)CCCC2)N1CCN(c2ncc(F)cc2F)CC1,-0.28288212418556213
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0245956182479858
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617037773132324
+CCOc1ccc(C(=O)N[C@H]2CC[NH+](C)C2)cc1,-1.6757136583328247
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.500876545906067
+Cc1cc(O)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.1322709321975708
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(N)c1,-1.0691190958023071
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375950574874878
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.393882393836975
+O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1,-1.2849091291427612
+c1ccc(Oc2ccc(-c3noc(C4CCCCC4)n3)cc2)cc1,-1.2544372081756592
+CC(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.5218236446380615
+O=C([C@H]1CC[NH+](C2=CCCCC2)C1)N1CC[C@@H](c2ccc(F)cc2)C1,-0.9624871015548706
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cn2)CC1,-1.3567354679107666
+Fc1cnc(N[C@@H]2CCC[NH+](Cc3ccc(Br)cc3)C2)nc1,-0.9903433322906494
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-0.9931660890579224
+Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCCCC2)cc1C,-1.195815086364746
+O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1,-1.103397250175476
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4073470830917358
+C[NH+]1CCC([NH+]2CC(NC(=O)c3ccc(Cl)cc3)C2)CC1,-1.0112138986587524
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.4890087842941284
+CCOC(=O)N1CCNCC1,-1.9146565198898315
+Cc1ccc(C(=O)Nc2cccnc2-c2ccccc2)c(Cl)c1,-0.892486035823822
+C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](Cc2ccc(F)cc2)CO1,-1.4863617420196533
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-0.9850966334342957
+CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6268683671951294
+O=C(COc1ccc(Br)cc1)Nc1cccc2occc12,-1.3070265054702759
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3F)cc2)cn1,-0.9720728993415833
+COc1ccc(CNCCc2ccc(N)cc2)cc1,-1.6166362762451172
+O=C(NCc1ccccc1)N1CCC=C(C2CCCCC2)C1,-1.566776990890503
+C[NH+]1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1,-1.3399626016616821
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.671972632408142
+O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccccc2F)C1,-0.9204297661781311
+Fc1ccc(OCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1876333951950073
+N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.316856861114502
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3818999528884888
+C[NH+]1CCN(C2CC(NC(=O)c3ccc(F)cc3)C2)CC1,-1.0563678741455078
+O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4240635633468628
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(C)c1,-1.0574896335601807
+C[C@@H](NC(=O)c1ccnc2ccccc12)c1ccc(Cl)cc1F,-0.5696471929550171
+NS(=O)(=O)CCNC(=O)N1CCC(c2ccccc2)CC1,-1.5131975412368774
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1368536949157715
+CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.2370009422302246
+COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9963025450706482
+Cc1ccc(C(=O)NCC(O)Cc2ccc(F)cc2)cc1,-1.5503571033477783
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(Br)c2)o1,-1.3428789377212524
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.97649085521698
+Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)s1,-1.0339807271957397
+Nc1c(Cl)cccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9369030594825745
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9573661088943481
+O=C(NCCc1cccc(Cl)c1)c1ccc2c(c1)CCO2,-1.3444552421569824
+O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(O)cc1,-1.499726414680481
+C[C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1,-0.9989641904830933
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.067685604095459
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.0717313289642334
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3114089965820312
+O=C(Cc1ccncc1)N1CCC(Oc2ccc(Br)cc2)CC1,-1.2593135833740234
+CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccccc2)cc1,-1.3893946409225464
+O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2[nH]1,-1.1751126050949097
+O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2,-1.3849555253982544
+O=C(C1CCOCC1)N1CCN(Cc2ccc(F)cc2F)CC1,-0.9739310145378113
+C[NH+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)C1,-1.3410946130752563
+Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.1349294185638428
+CCc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-0.8737536072731018
+CC(C)CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1,-1.057628870010376
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.0049588680267334
+CC(C)(C)CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1,-0.8743782043457031
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003918886184692
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1618069410324097
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1757134199142456
+CCCCCCN=C(O)CNc1ccc(OCC(C)(C)C)cc1,-1.5673319101333618
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9423906207084656
+CN(Cc1ccc(F)cc1)C(=O)CCc1ccc(Br)cc1,-1.2252839803695679
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0692925453186035
+O=C(Nc1ccc(Cl)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.0470373630523682
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.022200584411621
+O=C(Nc1ccc(Cl)nc1)N1CCN(c2ccccc2Cl)CC1,-0.745592474937439
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC12CCCCC2,-1.4076093435287476
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060212850570679
+Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1022870540618896
+O=C(c1ccc(F)cn1)N1CCCC1CCCc1ccccc1,-1.175408959388733
+Cc1nonc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1,-0.9459569454193115
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080670595169067
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(F)c1,-1.4116753339767456
+Cc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C,-0.5437950491905212
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.016316533088684
+Cc1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4367561340332031
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1152573823928833
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.148280143737793
+Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)COCCO4)nn2)cc1,-0.9795969724655151
+Cn1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCCO3)ccc21,-1.266312837600708
+Cc1ncsc1C(=O)N1CCC(Oc2ccc(F)cc2Cl)CC1,-0.5934311747550964
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.339303731918335
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCNC2=O)cc1,-1.06167733669281
+C[C@@H]1C[NH2+]CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0383225679397583
+O=C(N[C@@H]1C[C@@H]1C1CC1)[C@@H]1CCN(c2ccc(F)cc2)C1,-0.955471396446228
+CC(C)(C)CC(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C,-1.2064565420150757
+CN1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.509511947631836
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0555813312530518
+Cc1ccc(-c2ccccc2C(=O)NCC(=O)O)cc1,-1.4657301902770996
+Cc1nocc1C(=O)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.8420368432998657
+O=C(c1ncccc1O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.0251259803771973
+Cc1cc(C[NH+]2CCC[C@@H](Cc3ccccc3)C2)ccc1Cl,-1.2335999011993408
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.9240386486053467
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6254068613052368
+Cc1ccc(C[NH+]2CCN(c3ccc4c(c3)CC(=O)N4)CC2)cc1,-1.0486072301864624
+O=C(NC[C@@H](O)C[C@@H]1CCOC1)N1CCC2(CCC2)CC1,-1.5766271352767944
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.038551926612854
+Cc1cc(NC(=O)C2CCN(c3ccc(F)cc3)C2)no1,-1.2530262470245361
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1154041290283203
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9513448476791382
+COc1ccc(CNC2CCN(C(C)C)CC2)cc1,-1.557178258895874
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0478625297546387
+O=C(NC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1,-1.1432009935379028
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.0109764337539673
+O=C(NC1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1,-0.8406273126602173
+CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.688893437385559
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.1916621923446655
+O=C(NCCc1ccc(F)c(F)c1)c1ccc(Br)cc1F,-0.6896553635597229
+N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1,-1.2875136137008667
+[NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.0324856042861938
+Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c(F)c1,-0.9339907765388489
+C[NH+]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3)cn2)CC1,-1.2473046779632568
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.038774847984314
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.024135708808899
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9328306913375854
+O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1C1CCCCC1,-0.7605940103530884
+C[NH+]1CCC(NC(=O)c2ccccc2CC(C)(C)[NH3+])CC1,-1.292747139930725
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0955514907836914
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-1.1054505109786987
+Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)c(C)o1,-1.5494705438613892
+Cc1ncsc1CNC(=O)Nc1ccc([NH3+])cc1,-1.3720958232879639
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1,-1.0291850566864014
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0306951999664307
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382943391799927
+O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1,-1.6378886699676514
+Cc1ccc([C@@H](O)CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.4355792999267578
+C[SH](=O)(O)c1ccc(C(=O)NCc2ccccc2)cc1,-1.5857727527618408
+O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.402679443359375
+O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccccc2O)CC1,-1.2354199886322021
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.218794584274292
+Cc1cccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1Cl,-0.7971030473709106
+O=C(NC[C@@H]1CCC[C@@H](O)C1)NC1CCOCC1,-1.6714611053466797
+C[NH+]1CCN(CCNC(=O)CCc2ccc(Br)cc2)CC1,-1.396809458732605
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5287562608718872
+CC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1,-1.5873469114303589
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8587027192115784
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1,-1.1300959587097168
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5769015550613403
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8168178796768188
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.357728362083435
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.3002265691757202
+Cn1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)n1,-1.024096965789795
+Cc1ccc(C(=O)NC2CC(c3cccc(Br)c3)C2)cn1,-0.9649953246116638
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.030587077140808
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.6543396711349487
+CC(C)(C)OC(=O)N1CCN(c2ccc(I)cc2Cl)CC1,-0.9369987845420837
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.9767144322395325
+Oc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.450230598449707
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943695306777954
+C[C@@H]1Cc2cc(C(=O)NC[C@H]3CCCC[C@H]3[NH3+])ccc2O1,-1.1131526231765747
+CCCCC(=O)N1CCC[C@@H](NC(=O)CC2CCCCC2)C1,-1.5087083578109741
+CC[NH+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1,-1.3434563875198364
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.287178635597229
+Cc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)o1,-1.0213335752487183
+CC(C)[NH+]1CCC([NH2+]Cc2ccc3nc([NH3+])ccc3c2)CC1,-0.9293275475502014
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.976711630821228
+CC(C(=O)Nc1ccc(-c2ccccn2)cc1)c1ccccc1,-1.280556321144104
+C[NH+]1CCC([NH+]2CC(NC(=O)c3ccc(F)cc3)C2)CC1,-1.0912375450134277
+O=C1C[C@@H](NCc2ccccc2)CN1c1ccc(F)cc1,-1.515836238861084
+Cc1ccc(C(=O)N2CCOCC2)cc1Nc1ccc(Cl)cc1,-1.0383105278015137
+Cn1ccc(NC(=O)c2ccn(-c3ccc(O)cc3)n2)n1,-1.2906404733657837
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2663483619689941
+CC(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,-0.9807174205780029
+C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.4513884782791138
+CC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[NH+](C)C1,-1.5573238134384155
+CCc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-0.9527087807655334
+Cc1ccc(NC(=O)C(=O)Oc2ccc(F)cc2)cc1,-1.5749717950820923
+c1cc(-c2nn[n-]n2)ccc1C[NH2+]C[C@@H]1CCCO1,-1.46833336353302
+O=C(NCc1ccc2nc(O)oc2c1)c1ccc(F)cc1,-1.1416069269180298
+O=C(NCc1ccc(Br)c(F)c1)c1cc2ccccn2n1,-0.8333868980407715
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.525545358657837
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.939542293548584
+O=C(NCC1CCCCC1)N[C@@H]1CCC[C@@H](O)C1,-1.7009986639022827
+O=C(NCC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1,-1.5676853656768799
+Nc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Br)cc1,-0.8502202033996582
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2778581380844116
+Cc1ccc(N)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.1214230060577393
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1565452814102173
+Cc1nc2cc(C(=O)NCc3ccc(I)cc3)ccc2[nH]1,-0.8176746368408203
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.12351393699646
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8742606043815613
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.1740251779556274
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.075378656387329
+O=C(CCc1ccccc1)Oc1ccc(-c2ccccc2)cc1,-1.5354989767074585
+CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C)c2)CC1,-0.9872806668281555
+O=C(NCc1ccccc1)C1CCC(C(O)=NC2CC2)CC1,-1.348305583000183
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.948305070400238
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cnn(C)c2)cc1,-1.2483506202697754
+Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1,-1.050276756286621
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8806723356246948
+Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1Cl,-1.0208796262741089
+CCOc1ccc(OCc2ccc(Br)cc2C)cc1,-1.5171629190444946
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0367207527160645
+O=C(Nc1ccc(F)cc1)N1CC(c2ccc(Cl)cc2)C1,-1.0616471767425537
+Cc1cc(Br)ccc1OCC(=O)Nc1oc2ccccc2c1C,-0.8479218482971191
+CCN1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0628941059112549
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0447337627410889
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)s1,-1.0136831998825073
+O=C(NCc1ccc(Br)cc1)[C@@H](O)Cc1cccc(Cl)c1,-1.2097891569137573
+Cc1c(Cl)cccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.0394130945205688
+Cc1cc(C(=O)NC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)ccc1O,-1.2303969860076904
+CCC1CC(=O)N(c2ccccc2)CCN1Cc1ccccc1,-1.425988793373108
+Cc1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1,-0.9731441140174866
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-1.0693755149841309
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0687260627746582
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1,-1.4030500650405884
+CN=C(O)c1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-0.8064772486686707
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2230454683303833
+CCOCCC1CCCC(C(=O)NCC2CCCCC2)C(O)=N1,-1.303754448890686
+CC(O)=Nc1cccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1,-0.8720468878746033
+Cc1ccc(N2CCN(C(=O)c3ccc(C)c4nccnc34)CC2)cc1,-0.535007894039154
+O=C(NC[C@@H]1CC(=O)C2(CCCC2)C1)c1ccccc1,-1.5763121843338013
+O=C(NCc1ccc(Br)s1)Nc1ccccc1F,-1.2853342294692993
+CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2O)CC1,-1.5416522026062012
+Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4283744096755981
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-1.050324559211731
+Cc1nc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.970996618270874
+Clc1ccc(NCc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.1454195976257324
+C[C@@H]1CCCCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1,-0.8456812500953674
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934373497962952
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9658874869346619
+CN(Cc1noc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1,-0.7539030909538269
+Nc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1011648178100586
+O=C(NCc1ccc(F)c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.809381365776062
+Cc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.33841073513031
+COc1ccc(NCCOc2ccc(C)cc2)cc1,-1.6525381803512573
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(O)cc1,-1.632727861404419
+Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c[nH+]1,-1.0533394813537598
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)C3CCCCC3)CC2)cc1,-1.1274632215499878
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.9087950587272644
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2989329099655151
+CCc1cc(CNC(=O)c2ccc(O)cc2)on1,-1.6113959550857544
+C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9576489329338074
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3851209878921509
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4817854166030884
+O=C(Nc1ccccc1F)N1CCC(c2ccc(Cl)cc2)CC1,-0.9031165242195129
+C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.9536166787147522
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1058287620544434
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0494595766067505
+Nc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1,-1.2323023080825806
+Cc1cc(CNC(=O)C2CCCCC2)ccc1[N+](=O)[O-],-1.3793213367462158
+CNC(=O)C1CCCCC1,-1.9369302988052368
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1,-1.1035796403884888
+CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(Br)cc1,-1.4262579679489136
+O=C(Cc1ccccc1O)N[C@@H]1CCC[NH+](C2CCCCC2)C1,-1.3315784931182861
+CCNC(=O)c1cc(Cc2ccc(C)cc2)[nH]n1,-1.5214924812316895
+O=C(NCCOc1ccc(Br)cc1)c1cn[nH]n1,-1.5699973106384277
+CCCn1ncc2c1CN(C(=O)Nc1ccc(Br)cc1Cl)CC2,-0.48691895604133606
+CC(C)(C)[C@H]1OCCC[C@H]1NC(=O)c1ccc(F)cc1Cl,-0.855437159538269
+Cc1ccc(N2CCN(C(=O)NCC(F)(F)F)CC2)cc1,-1.1237725019454956
+Cc1nc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)cs1,-0.9071743488311768
+C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC1C1=CCOCC1,-1.2608470916748047
+Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.958407998085022
+[NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1,-0.9818273186683655
+O=C(NCC[C@@H](O)c1ccccc1)N1CCC2(CC1)OCCO2,-1.5960134267807007
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.328042984008789
+O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7413372993469238
+Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)c(F)c1,-0.792731523513794
+CCc1ccc(C(=O)NC(CN)c2ccccc2)cc1,-1.538403034210205
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Br)cc1,-0.9898355603218079
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ncccc1O,-0.9137848019599915
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.4490238428115845
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0624736547470093
+O=C(c1ccc(Br)cc1F)N1CCC(Oc2ccccc2)CC1,-1.1079155206680298
+CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.513815999031067
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0138773918151855
+Cc1ccc(CNC(=O)C(C)(O)Cc2ccccc2)cc1,-1.58902907371521
+CCOc1ccc(C[C@H](N)C(=O)N2CC[NH+](C)CC2)cc1,-1.4085612297058105
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3304178714752197
+CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(F)c2)C1,-1.0530470609664917
+Nc1ccc(CC(=O)NC[C@@H]2C[C@H]3CCCC[C@H]3O2)cc1,-1.4649423360824585
+C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2O)CC[C@@H]1c1ccccc1,-1.095244288444519
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.201278567314148
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.18267023563385
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.116158127784729
+Cc1cc(Cl)ccc1NC(=O)c1ccc(C2CCCCC2)nn1,-0.7233413457870483
+Oc1cccc(NCC2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1726953983306885
+Nc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0074260234832764
+Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9737716913223267
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5151630640029907
+CC1(C)CC[NH+](CC(=O)NCc2ccc(Br)cc2)C1,-1.5049515962600708
+Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cc2)cc1,-1.364370584487915
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3113181591033936
+O=C(NC1CCCCC1)N1CCN(c2cccc(Cl)c2Cl)CC1,-0.658355176448822
+C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.1897425651550293
+C[C@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9575865268707275
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)oc2c1,-1.1829652786254883
+Cc1c(F)cccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0200254917144775
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4458997249603271
+Cc1ccc(OCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.3047903776168823
+O=C(C1CCCCC1O)N1CCN(Cc2ccc(O)cc2)CC1,-1.1911146640777588
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9236114025115967
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2038922309875488
+CC1(C)CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1,-0.928287923336029
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5077688694000244
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1,-1.0669399499893188
+O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1,-0.9211891889572144
+C[C@@H]1CCC[C@@H](CNC(=O)NC2CCOCC2)C1,-1.6552445888519287
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382981538772583
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1286637783050537
+O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1,-1.5032641887664795
+O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)C1CCC=CCC1,-1.3748637437820435
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9632280468940735
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2358111143112183
+CC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1,-1.5186593532562256
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0011589527130127
+Cc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.2341787815093994
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.0741705894470215
+O=C1OC[C@H](Cc2ccccc2)N1Cc1ccc(Cl)cc1,-1.528670310974121
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1352101564407349
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0315241813659668
+Cc1ccc(CNC(=O)c2sc3ccccc3c2C)cc1,-1.0752044916152954
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9716026186943054
+C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2765367031097412
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0735942125320435
+O=C(NCc1nc2ccccc2o1)c1ccc(F)c(F)c1,-0.9754357933998108
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1,-1.0913187265396118
+O=C(Nc1ccc2[nH]nnc2c1)N1CCC[C@H]1c1ccccc1,-0.94041907787323
+C[NH+]1CCC(NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)CC1,-1.006746768951416
+[NH3+][C@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.0943852663040161
+CC1CC[NH+](CC(=O)N2CCC(Nc3ccccc3)CC2)CC1,-1.502752661705017
+CC(C)n1ncc(C(=O)NCc2ccccc2)n1,-1.480586051940918
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0391159057617188
+O=COCc1ccccc1,-2.0190863609313965
+O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1,-1.3775503635406494
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-0.9624553322792053
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.4888653755187988
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0899195671081543
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.105822205543518
+COc1ccc(C(=O)N2CCC(c3cc(C)ccn3)CC2)cc1,-1.034939169883728
+C[C@@H]1CN(c2ccc(NCC3CCCCC3)cc2)C[C@H](C)O1,-1.5278006792068481
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8691083788871765
+O=C(N[C@H]1CC12CCC2)N1CCC[C@@H]([NH+]2CCCCC2)C1,-1.3171486854553223
+C[C@@H]1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1,-1.5014803409576416
+[NH3+]C[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.8693293333053589
+CCN1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2)CC1,-1.1209660768508911
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1953976154327393
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5200337171554565
+C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9945951700210571
+O=C(N[C@H]1CCCO[C@H]1c1cccc(Cl)c1)c1ccccc1F,-1.0737630128860474
+Cc1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1,-1.2741528749465942
+O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-1.0685398578643799
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1872553825378418
+CC[C@H](C)C(=O)Oc1ccc(C(=O)N2CCCC[C@@H]2C)cc1,-1.1764980554580688
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Br)cc2)CC1,-0.8682530522346497
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c1,-1.1280004978179932
+O=C(c1cccc2[nH]ccc12)N1CCN(Cc2ccco2)CC1,-1.1651350259780884
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1,-1.1639431715011597
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1F,-1.2479031085968018
+O=C(Cc1ccc(Br)cc1)NCC(=O)N1CCCCC1,-1.4721242189407349
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.1405572891235352
+Fc1ccc(CNc2ccc(-c3ccccc3)nc2)cc1Cl,-0.9800705313682556
+Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1O,-1.4314721822738647
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1128385066986084
+O=C(NCC(=O)c1ccccc1Cl)c1ccc(F)cc1,-1.1783547401428223
+Cc1ccc(NCc2ccccc2N2CC[NH+](C)CC2)cc1,-1.2963712215423584
+CC(C)(C)[C@@H](NC(=O)N1CCOCC1)c1ccc(Cl)cc1,-1.3161187171936035
+CC1(C)CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.4985506534576416
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852508783340454
+Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1,-1.1389216184616089
+Cc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(Br)cc3)C2)no1,-1.0166640281677246
+C[C@H]1CCCN(C(=O)c2sc(-c3ccccc3)cc2S(N)(=O)=O)C1,-0.7911357283592224
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-0.9379292726516724
+CC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1,-1.1390317678451538
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.3299309015274048
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0674283504486084
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0387517213821411
+CC(N=C(O)CNc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1,-1.0054140090942383
+Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)no1,-1.339781641960144
+Cc1ccccc1C(=O)NC1CCN(c2ccc(N)cc2)CC1,-1.0562608242034912
+C[C@@H]1CN(C(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.461671233177185
+C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CC[NH+]1C,-1.1607892513275146
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3356714248657227
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3647780418395996
+O=C(CNc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2042981386184692
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8182365298271179
+Nc1ccc(-c2ccccc2NCc2ccc(F)cc2)cc1,-1.178169846534729
+O=C1NCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-0.8852459192276001
+CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1954309940338135
+C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.879509687423706
+Cc1ncc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)o1,-1.0517334938049316
+COc1cccc(NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)n1,-0.9758237600326538
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.143782377243042
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0424634218215942
+Cc1nc(C(=O)Nc2ccccc2F)cc(-c2ccccc2)n1,-0.7898792624473572
+O=C1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.3640532493591309
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0066698789596558
+Cn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1,-1.0786765813827515
+CC(C)(O)CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.4135169982910156
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9870201349258423
+O=C(Cc1ccc(F)cc1)NCCCc1ccc(Cl)cc1,-1.5243260860443115
+C[C@@H](CC(=O)N[C@H]1CCC[C@H]1c1ccccc1)c1ccccc1,-1.5050393342971802
+CCC1(C(=O)NCc2ccc(Br)s2)CCOCC1,-1.5060781240463257
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(O)c1,-1.4167964458465576
+C[C@H]1CCCN(c2ccc(OCc3ccc(N)cc3)cc2)C1,-1.3380345106124878
+CCNCc1cccc(C2CC2c2ccccc2)c1,-1.5607131719589233
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1035135984420776
+Cc1nc2cccc(C(=O)NC[C@H]3CCC[NH+](C)C3)c2o1,-1.0655062198638916
+Cc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(C)c2)cc1,-1.159940242767334
+C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0586262941360474
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.1153689622879028
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1865357160568237
+Cc1ccc(C)c(NCc2csc(-c3ccc(Br)cc3)n2)c1,-0.845128059387207
+CC(C)C(C)NC(=O)N1CCC([NH+]2CCC(O)CC2)CC1,-1.1169307231903076
+CCOc1ccc(NC(=O)c2ccn(C)c2)cc1,-1.6429258584976196
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.1201095581054688
+O=C(NC1CC(F)(F)C1)N1CCC(c2ccccc2)CC1,-1.1974729299545288
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3461908102035522
+C[NH+]1CCC[C@H](NC(=O)N2CCCN(c3ccccc3)CC2)C1,-1.3484828472137451
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1606525182724
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1743019819259644
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9587562680244446
+C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C)s2)C1,-1.382133960723877
+O=C(Nc1ccc(F)cc1)c1ccccc1N1CCCC1=O,-1.1226387023925781
+O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1cccc(-n2cccn2)c1,-1.0490097999572754
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1Br,-0.767741858959198
+Cn1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)n1,-1.1400679349899292
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1714534759521484
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1095176935195923
+C[NH+]1CCC[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-1.095738410949707
+O=C(c1cccc(F)c1O)N1CC[NH+](CC2CCCCC2)CC1,-1.092033863067627
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.0624357461929321
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2[nH]1,-1.0334343910217285
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.45534348487854
+Oc1ccccc1COc1ccccc1,-1.7929341793060303
+COc1ccc(C(=O)NCc2ccc(C)o2)cn1,-1.6128689050674438
+O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2s1,-0.8395393490791321
+Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1F,-0.8947962522506714
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0560142993927002
+C[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccc(Br)cc1,-1.2895431518554688
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9315394759178162
+O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9534426331520081
+[NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1,-1.3989481925964355
+Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1,-1.2713102102279663
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2063349485397339
+CCCCOc1ccc(C(=O)NC2CCOCC2)cc1,-1.6273629665374756
+Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3283685445785522
+CC(O)=Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-0.8927321434020996
+Cc1cccnc1NC(=O)c1c(-c2cccc(Br)c2)noc1C,-0.6591395735740662
+Cc1ccc(CC(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1,-1.5285791158676147
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]cnc2c1,-1.0207819938659668
+C[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.314043641090393
+CC(C)(C)CC(=O)NCC1CCC([NH+]2CCOCC2)CC1,-1.5361599922180176
+C[NH+]1CCCC[C@H](CNC(=O)CCc2ccc(Cl)cc2)C1,-1.4846432209014893
+O=C(Nc1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1,-0.9828500151634216
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9454410672187805
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F,-0.912635087966919
+OC1(Cc2ccccc2)CC[NH+](Cc2cc3ccccc3o2)CC1,-1.4731838703155518
+Cc1ccc(-c2ccc(CNc3ccc(O)cc3)cc2)cc1,-1.4133912324905396
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313146233558655
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.301393985748291
+Cc1cc(C(=O)Nc2ccn(-c3cccc(O)c3)n2)no1,-1.2318917512893677
+Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.299438714981079
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.199947476387024
+Cc1ccc(C(=O)NCc2cc(F)c(F)cc2F)c(Br)c1,-0.5393364429473877
+C[C@@H]1[C@@H]2CCC[NH+]2CCN1C(=O)NCCCc1ccc(Br)cc1,-0.8592106103897095
+O=C1Cc2cc(CNC(=O)C3CCOCC3)ccc2N1,-1.4448052644729614
+O=C(C[NH2+]C[C@@H]1CCCO1)NC1CCCCCC1,-1.7139993906021118
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1918888092041016
+CC1CN(C(=O)CCNCc2ccc(F)cc2)CC(C)O1,-1.4047025442123413
+O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2701112031936646
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0332566499710083
+O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1,-1.489230751991272
+CN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.204391360282898
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.3535116910934448
+CC(C)(CC(=O)NCC1CCOCC1)c1ccc(Cl)cc1,-1.5342384576797485
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1F,-0.5233278870582581
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.312052607536316
+CCCN1CCCC(CNCc2cccc(O)c2)C1,-1.6236976385116577
+O=C(Nc1ccc(F)cc1)[C@H]1C[C@H](c2ccc(Br)cc2)C1,-1.1312679052352905
+Cn1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cn1,-1.1052895784378052
+Cc1cc(N)ccc1NC(=O)c1cccc(N2CCOCC2)c1,-1.1180261373519897
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9912266135215759
+O=C(Cc1cccc([O-])c1)N1CC[NH+](Cc2ccccc2)CC1,-1.4828203916549683
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3843462467193604
+Cc1ccc(CNCc2nc3c(cc2C#N)CCC3)cc1,-0.8941227197647095
+CC(C)Cn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1,-1.094704031944275
+Cc1cccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)n1,-1.2452479600906372
+Oc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.244241714477539
+CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1,-1.236925721168518
+Oc1cc(SCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.9202395677566528
+O=C(Cc1ccccc1)NCc1ccc2c(c1)OCCO2,-1.548555850982666
+CCCCOc1ccc(NC(=O)C2CCCCC2)cc1,-1.6161445379257202
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCO3)c(C)c1,-1.1124310493469238
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0267672538757324
+O=CN1CCN(c2ccc(Cl)cc2)CC1,-1.6496126651763916
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0620793104171753
+C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1,-1.5024242401123047
+Cc1ccc(N2CCN(C(=O)c3cc(C)c(C)c(C)n3)CC2)cc1,-0.43935486674308777
+O=C([O-])N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1,-1.1484333276748657
+Cc1ccc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(C)s2)cc1,-1.1895922422409058
+CNC(=O)c1ccc(C(=O)NC2CCCCC2)cc1,-1.5762872695922852
+Cc1ccn(-c2cccc(NC(=O)[C@@H]3CCC3(C)C)c2)n1,-1.1106278896331787
+COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.6224333047866821
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.494584560394287
+CCCNC(=O)COc1ccc(N2CCCCC2)cc1,-1.6127736568450928
+O=C(Nc1ccccc1F)N1CCN(c2cccc(Br)c2)CC1,-0.8957774639129639
+O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.4829002618789673
+Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3)CCO2)cc1,-1.2068196535110474
+Cc1cc(I)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0166858434677124
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9665594696998596
+CSc1ccc(C(=O)NCC(O)=Nc2ccc(Cl)cc2)cc1,-1.1355807781219482
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0735036134719849
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC[C@@H](c2cccc(Br)c2)C1,-0.9499121904373169
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9446454644203186
+Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.3590730428695679
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)nc1,-0.9571241736412048
+O=C(N1CCC(CO)CC1)N1CCN(c2ccc(F)cc2)CC1,-1.0418353080749512
+C[C@H]1CN(C(=O)c2ccc(Br)c3cccnc23)CCN1c1ccccc1,-0.4535643458366394
+CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(I)cc2)CC1,-1.224251627922058
+Cc1ccc(N2CCN(C(=O)c3ccc4ccc(F)cc4c3)CC2)cc1,-0.6590120792388916
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)cn1,-0.9039956331253052
+CC(C)(C)CC(=O)NCC1CC[NH+](C2CCOCC2)CC1,-1.5341925621032715
+Oc1ccc(-c2ccc(NCc3ccc(F)cc3)nc2)cc1,-1.2140387296676636
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.0111159086227417
+CCc1ccc(-c2nnc(-c3ccc(F)cc3)n2CC#N)cc1,-0.7717731595039368
+CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2c2ccc(F)cc2)CC1,-0.9607421159744263
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.1981585025787354
+Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)cn1,-0.8999700546264648
+CCO[C@H]1CCN(C(=O)Nc2cccc(Br)c2)C1,-1.5322097539901733
+Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1,-1.5785045623779297
+C[C@H]1CCC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1,-1.147704839706421
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0266584157943726
+O=S1(=O)CCC(NCc2noc(-c3ccccc3)n2)C1,-1.519402265548706
+Cc1ccc(C2CCN(C(=O)c3cc(F)c(C)c(F)c3)CC2)cc1,-0.5463667511940002
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.8432728052139282
+O=C(NCC(=O)N1CCC2(CCC2)C1)c1ccccc1,-1.6338425874710083
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3716297149658203
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.9491237998008728
+c1ccc(C2CC(CNCC3CCCCC3)C2)cc1,-1.625089168548584
+Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.9481619000434875
+Cc1cc(Cl)ccc1NC(=O)C1(c2ccc(Br)cc2)CC1,-0.8241073489189148
+O=C(N[C@H]1C[C@H](c2cccc(Br)c2)C1)c1cccc(Br)c1,-0.9147284030914307
+Cc1cccc(C[NH+]2CCN(C(=O)c3ncccc3O)CC2)c1,-1.2006629705429077
+Cc1c[nH]c2ccc(C(=O)NCc3ccc(F)cc3)cc12,-1.0671943426132202
+Fc1ccc(COC2CCN(c3ccc(F)cc3)CC2)cc1,-1.3971240520477295
+CN1CCN(c2ccccc2)C1=O,-1.7760642766952515
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1,-1.3038108348846436
+Nc1ccc(C(=O)NCC(=O)c2ccc(F)cc2)cc1,-1.3263963460922241
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6118725538253784
+O=C(Nc1cc(-c2ccccc2)ccc1F)c1ccc(F)cc1,-1.0348334312438965
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.389650583267212
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.416161298751831
+Fc1ccc(C[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1,-1.208901047706604
+OC1(Cc2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1,-1.509697675704956
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.213762640953064
+Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(F)c1,-0.8343861103057861
+O=C(N[C@@H]1CCO[C@@H]1c1ccc2[nH]cnc2c1)c1ccccn1,-1.0208935737609863
+Fc1ccc(C[C@H]2CCCN(Cc3ccc(Br)cc3)C2)cc1,-1.1487998962402344
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1049690246582031
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8480114936828613
+CCC[NH+]1CCN(C(=O)Nc2ccccc2OC)CC1,-1.6044983863830566
+COc1ccc(CNC(=O)c2cc(Br)co2)cc1,-1.5285838842391968
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0161911249160767
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-0.9531380534172058
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2397323846817017
+O=C(CN1C(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1,-1.1839815378189087
+C[NH+]1CCN(Cc2ccccc2)[C@H](Cc2cccc(O)c2)C1,-1.4863715171813965
+C[C@H]1CN(Cc2cccc(NC3CCCCC3)n2)C[C@H](C)O1,-1.2661045789718628
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1cccc(O)c1,-1.387165904045105
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2273951768875122
+Cc1nnc(NC(=O)N2CC[C@](O)(c3ccccc3)C2)s1,-1.1979866027832031
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.067777156829834
+C[NH+]1CCC[C@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.4422682523727417
+CCc1ccc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1,-1.5360065698623657
+O=C(NCc1cccc(Cl)c1)N1CCC2(CCCO2)CC1,-1.5023623704910278
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9460051655769348
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.148048758506775
+O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCC12CCCC2,-1.5081324577331543
+O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.0834962129592896
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2741411924362183
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.011942744255066
+Cc1nc(NCc2ccc(Cl)cc2)ccc1-c1ccccc1,-1.0228699445724487
+Oc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.300787091255188
+C[C@H](C(=O)NCc1ccc(O)cc1)[NH+]1CCCCC1(C)C,-1.3584022521972656
+c1ccc(COc2ccc(-c3cccc4ccccc34)cc2)cc1,-1.2540091276168823
+Cc1cccc(CNc2ccccc2N2CCN(C)CC2)c1,-1.2813186645507812
+Cc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.190729022026062
+Cc1ccc(C(=O)NCc2nc3ccccc3o2)cc1C,-1.1047276258468628
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3691028356552124
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0634219646453857
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0618244409561157
+Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2o1,-1.1075628995895386
+Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(Cl)cc2)cn1,-1.0066412687301636
+CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cncs2)C1,-1.1488434076309204
+COc1ccccc1C[NH+]1C[C@@H](O)C[C@H]1c1ccc(Cl)cc1,-1.1469156742095947
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.89757239818573
+Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9786080121994019
+O=C(NC1CCCCC1)N1CCC(c2ccc(F)cc2F)CC1,-0.8551030158996582
+Nc1ccc(NC2CN(C(=O)c3ccc(F)cc3)C2)cc1,-1.1528979539871216
+O=C(Nc1nnc(C2CCOCC2)s1)c1ccc2[nH]ccc2c1,-0.8716369271278381
+O=C(c1ccc(Cl)cc1Cl)N1CCN(CC2CCCCC2)CC1,-0.7099658846855164
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1,-1.2710014581680298
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccncc1F,-0.8707018494606018
+O=C(Cc1ccccc1F)N[C@H]1CCCN(c2ccccc2)C1,-1.2672107219696045
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1044706106185913
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)on1,-1.0865278244018555
+O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1,-0.9280873537063599
+Cc1ccc(CNC(=O)CC[NH+]2CCC(C)CC2)c(F)c1,-1.3317127227783203
+CN1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4803053140640259
+NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0537164211273193
+Cc1ccc(C(=O)N[C@H](C)Cc2ccc(F)cc2)c(C)c1,-1.1211638450622559
+O=C(NCCc1ccc(F)c(F)c1)c1ccc(F)cc1F,-0.8091851472854614
+C[C@@H]1C[NH+](CC2CCCCC2)CC[C@H]1Nc1ccc(Br)cc1,-1.1121656894683838
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0552380084991455
+FC(F)(F)c1ccc(C[NH+]2CCC(n3cnnn3)CC2)cc1,-0.8832299709320068
+Cc1ccc(-c2ccc(NC(=O)CCN(C)C)cc2)cc1,-1.471156120300293
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccoc2)CC1,-1.5008476972579956
+O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(Cl)cc1,-0.959709644317627
+Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3o2)cc1,-1.0874868631362915
+O=C(NCc1ccc(Br)cc1F)c1ccc2c(c1)OCO2,-0.9269088506698608
+Nc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.290366530418396
+[NH3+][C@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)C1,-1.1740275621414185
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0138635635375977
+Cc1cccc(C[NH+]2CCN(C(=O)c3ncccc3C)CC2)c1,-1.1874159574508667
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.105770468711853
+O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.502029299736023
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1839470863342285
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2423672676086426
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.006589651107788
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.3946877717971802
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272042274475098
+O=C(N[C@H]1CC[C@H]2CCC[NH+]2C1)c1csc(-c2ccccc2)n1,-0.9340647459030151
+O=C(NC[C@H]1CCCCO1)c1ccc(CCCO)cc1,-1.6236402988433838
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0921289920806885
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)nc2)CC1,-0.9417137503623962
+O=C1C(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.4906357526779175
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.215930461883545
+CC(C)(O)CC(=O)Nc1ccc(OC2CC[NH2+]CC2)cc1,-1.5959848165512085
+O=C(Nc1ccc(F)cc1O)C1CCN(c2ccccc2)CC1,-1.073577880859375
+C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1,-1.0311414003372192
+CN=C(O)c1cccc(NC(=O)CN(C)c2ccccc2)c1,-1.4595739841461182
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0815778970718384
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.0848817825317383
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.3880387544631958
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.406707525253296
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0700687170028687
+Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1,-1.0638257265090942
+Cc1ccc(C(=O)N2CCNCC2)cc1,-1.7548342943191528
+N#Cc1cccc(OCCN2CCN(c3ccccc3)CC2)c1,-1.4955153465270996
+Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.1085349321365356
+O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(Cl)cc1,-0.970300555229187
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0273048877716064
+COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3O)CC2)cc1,-1.1302285194396973
+CN(C)c1ccc(NC(=O)c2cc(F)c(N)cc2N)cc1,-0.7117898464202881
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.055688500404358
+CCCc1ccc(NC(=O)N2CCOC3(CC[NH2+]CC3)C2)cc1,-1.5179003477096558
+Cc1ccc(CNc2cc(N)ccc2-c2ccccc2)cc1,-1.2558043003082275
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.3866826295852661
+CC(C)COc1ccc(CNC2CCCCC2)cc1,-1.6397368907928467
+Cc1ccc(CNC(=O)[C@H]2CCCOC23CCCC3)cn1,-1.5277421474456787
+Cc1nsc(N2CC[C@H](NC(=O)c3ccc(Cl)cc3)C2)n1,-0.7437862753868103
+O=C(Cc1nc2ccccc2o1)NCc1ccc(Cl)cc1,-1.2562257051467896
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5061744451522827
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.5177422761917114
+O=C(Cc1cccc(Br)c1)NCC(=O)N1CCCCC1,-1.4728338718414307
+C[C@@H]1C[NH+](Cc2ccc(Nc3ccccc3)nc2)C[C@H](C)O1,-1.538804054260254
+C[NH+]1CCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1,-1.4731950759887695
+CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1,-0.9409818053245544
+O=C(Cc1ccccc1)Nc1cc(-c2ccccc2)ccc1F,-1.3275349140167236
+C[NH+]1CCC[C@@H](CNC(=O)CCCc2ccc(Br)cc2)C1,-1.440207839012146
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1796834468841553
+O=C(N[C@@H]1CCO[C@H]1c1ccc(Br)cc1)N1CC[C@@H](F)C1,-1.006058692932129
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccncc1Cl,-0.8310694694519043
+Cc1cccc(C[C@H](O)CNC(=O)N2CCC[C@H](C)C2)c1,-1.5033224821090698
+O=C(Nc1ccccc1N1CCCCC1=O)C1CCOCC1,-1.3071883916854858
+O=C(c1cccc(Br)c1)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1,-0.6102781891822815
+CC(C)(C)[C@H]1CCC[NH+]1Cc1ccc(N2CCCCC2)cc1,-1.2444279193878174
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9120122790336609
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2s1,-0.9750351905822754
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2798151969909668
+Cc1ccc(CNC(=O)[C@@H]2COc3cc(O)ccc3C2)s1,-1.1139689683914185
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114763140678406
+CCNC(=O)Nc1ccc(-c2cnn(C)c2)cc1,-1.5953996181488037
+O=C(c1csc(-c2ccccc2)n1)N1CC[C@H]([NH+]2CCCC2)C1,-0.9953897595405579
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1645678281784058
+CC1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)CC1,-1.386759638786316
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.6736950874328613
+Nc1ccc(NC(=O)CN2CCC(c3ccccc3)CC2)cc1,-1.3714007139205933
+C[C@@H](CC(=O)NCc1cccc(Br)c1)c1ccc(Cl)cc1,-1.235851764678955
+Cc1ccc(CCNC(=O)Cc2ccc(F)cc2Br)cc1,-1.0904179811477661
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2072582244873047
+CC(C)(O)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.6119723320007324
+O=C(Nc1ccc(Oc2ccccc2O)cc1)C(F)(F)F,-1.3314883708953857
+NCc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9717886447906494
+O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.5210758447647095
+Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3642780780792236
+CC1(NC(=O)c2ccccc2N)CCN(c2ccccc2)CC1,-1.2284891605377197
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)nc1,-1.237408995628357
+CCc1cc(C(=O)NCc2ccc(Br)cc2)on1,-1.4644708633422852
+C[NH+]1CCCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1,-1.111556887626648
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(I)cc1,-0.9002851247787476
+O=C(Cc1cccc(Br)c1)NC1CC(c2ccccc2)C1,-1.3470476865768433
+Cc1ccc(-c2nnc(NC(=O)c3ccc(O)cc3)s2)o1,-1.0332118272781372
+C[C@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccc(Cl)cc1,-1.018812894821167
+Cc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)c(Cl)c1,-0.852836012840271
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8890756368637085
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0385574102401733
+COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.0927995443344116
+O=C(Cc1ccc(Br)cc1)NC1CCN(c2ccccc2)CC1,-1.2268450260162354
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1990580558776855
+O=C(NC[C@H]1CCC2(CCOCC2)O1)[C@@H]1CC12CCCC2,-1.5909470319747925
+C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4924958944320679
+C[C@@H]1C[NH+](C[C@@H]2CCC[NH+](C)C2)CCN1Cc1ccccc1,-1.4474059343338013
+O=C(CCc1ccccc1)Nc1ccc(-c2ncccn2)cc1,-1.515149712562561
+O=C(Nc1ccc(Cl)cc1O)N1CCC(c2ccncc2)CC1,-0.9239803552627563
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0799980163574219
+Cc1ccc(N2CCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)cc1,-0.48986905813217163
+O=C(N[C@H]1CCO[C@H](c2ccco2)C1)N1CCc2sccc2C1,-1.1225056648254395
+N#Cc1ccc(CNc2ccc(N3CCCCC3)c(F)c2)cc1,-1.0953307151794434
+CC(C)[NH+]1CCC(NC(=O)N2CCC3(CCO3)CC2)CC1,-1.530997633934021
+O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)[O-])cc1,-1.497820496559143
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2o1,-1.1801304817199707
+O=C(N[C@H]1CCCCC1=O)c1ccc(-c2ccccc2)cc1,-1.338455080986023
+CC(=O)C(=O)Nc1ccc(Nc2ccc(F)cc2)cc1,-1.575974464416504
+CCN1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-0.9596924781799316
+Nc1ccc2sc(C(=O)NCc3ccc(F)cc3)cc2c1,-0.9516209959983826
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-0.9923575520515442
+O=C(c1cc(F)ccc1Cl)N1CCC(OC2CCCCC2)CC1,-0.8592191338539124
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(Br)cc1)C2,-0.8538405895233154
+O=C(NCc1ccccc1)[C@@H](O)CCc1ccc(Br)cc1,-1.476949691772461
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.243936538696289
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.1147890090942383
+Cc1cc(F)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-1.0456115007400513
+Cc1ccc(C(=O)NC2CCN(c3ccccc3C)CC2)cn1,-0.9987494349479675
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@@H]2C)cc1,-1.4634461402893066
+Cc1occc1CNC(=O)Nc1ccc(Br)cc1,-1.5185216665267944
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.166508674621582
+O=C(NC1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1,-0.7971752285957336
+O=C(CCc1ccccn1)Nc1ccc(-c2ccccc2)cc1,-1.4939324855804443
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0061920881271362
+O=C(Nc1ccccc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1923905611038208
+C[C@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.3061448335647583
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9420078992843628
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.9623561501502991
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.0171098709106445
+O=C(c1ccc(F)cc1)N1CCN(c2ccc(O)c3ccccc23)CC1,-0.6270812153816223
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903865814208984
+CN(C(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCCCC1,-0.9735327363014221
+O=C(N[C@@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.2606559991836548
+O=C(NC1CCCCCC1)N1CCCC[C@H]1c1ccc(F)cc1,-1.1268600225448608
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934290647506714
+C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2F)C1,-0.8455520868301392
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4817991256713867
+c1ccc(OCC2C[NH+](Cc3cccnc3)C2)cc1,-1.6777759790420532
+O=C(Nc1ccc(C2CCCC2)cc1)N1CC[NH+]2CCC[C@H]2C1,-1.0924066305160522
+CC[NH+]1CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1,-1.0116064548492432
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4594887495040894
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0074883699417114
+C[C@H]1CCCN(c2ccc(C(=O)Nc3ncccc3F)cn2)C1,-0.8128686547279358
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.0758365392684937
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0286141633987427
+C[C@H]1CCCN(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1,-1.1891576051712036
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2415995597839355
+CC1(C)CC[C@@H]1NC(=O)c1ccc(C2CCOCC2)cc1,-1.3147594928741455
+Cc1nc2ccc(CNC(=O)c3ccc(O)cc3)cn2n1,-1.031356930732727
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.029222846031189
+CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-1.1283435821533203
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9616971611976624
+Cc1c(C(=O)Nc2ccc(N3CCCC3)cc2)cnn1C,-1.0022019147872925
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0088963508605957
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.277162790298462
+Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1,-1.6153559684753418
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2186143398284912
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536669611930847
+COc1ccc(CNCc2ccccc2F)cc1F,-1.3516243696212769
+COc1ccc(CNC(=O)c2ccc(Br)[nH]2)cc1,-1.5162718296051025
+Cc1nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2[nH]1,-0.8529168367385864
+O=C(NC1CCN(c2ccc(F)cc2)CC1)N1CCCCCC1,-1.169940710067749
+NC(=O)[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1,-0.8467294573783875
+c1ccc(N2CC[NH+](C[C@H]3CCCN3c3ccccc3)CC2)cc1,-1.3576979637145996
+CCOc1ccc(-c2ccc(C=O)cc2-c2ccccc2)cc1,-1.278112769126892
+Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(C)c1,-1.040989637374878
+Nc1ccc(F)cc1,-2.034971237182617
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4062447547912598
+O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.2725859880447388
+O=C(CC[NH+]1CCN(C2CC2)CC1)Nc1ccc(Cl)cc1,-1.3001735210418701
+Nc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.092368245124817
+COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.5302354097366333
+C[NH+]1CCC[C@@H](C[NH+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1,-1.2953543663024902
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1318843364715576
+O=C(Nc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.278292179107666
+Cc1nc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.8090139627456665
+CC(C)c1ccc(CCC(=O)Nc2ccc(N)cc2)cc1,-1.3747084140777588
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.073689341545105
+O=C(NCCC1CCCC1)N[C@H]1CCC[C@@H](O)C1,-1.6601999998092651
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9726305603981018
+Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3755148649215698
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8429710865020752
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9131672978401184
+CC[C@H]1CCCN(C(=O)N2CCC(c3ccc(F)cc3)CC2)C1,-0.920533299446106
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852025985717773
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0731987953186035
+CC(N)COc1ccc(OCc2ccccc2)cc1,-1.6659057140350342
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2[nH]1,-0.812942385673523
+CC(CNC(=O)c1ccccc1)N=C(O)Cc1ccccc1,-1.5386618375778198
+Cc1ccc(C(=O)NC2(c3ccc(C)cc3)COC2)cc1,-1.5072327852249146
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8851513266563416
+CN(Cc1ccccc1Br)C(=O)Nc1ccccc1Cl,-1.0600371360778809
+CC(=O)NC1CCN(C(=O)c2cnc3ccccc3c2)CC1,-1.0138108730316162
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8566109538078308
+C[C@@H]1C[NH+]([C@H]2CCN(C(=O)c3ccc(F)cc3)C[C@H]2C)C[C@H](C)O1,-0.7731493711471558
+Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1Br,-1.032848834991455
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.324851393699646
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.097411870956421
+CC1(C)CCCN(C(=O)NCc2nc3ccccc3o2)C1,-1.2814315557479858
+O=C(NC1CC[NH+](C2CCCCCC2)CC1)c1cccc(F)c1,-1.130344033241272
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617063403129578
+C[C@@H]1CN(C(=O)NC[C@H](O)c2ccc(Cl)cc2)C[C@H](C)O1,-1.2648898363113403
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.267257571220398
+CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5560935735702515
+O=C(Nc1ccc(Br)cc1Cl)C1CCN(c2ccccc2)CC1,-0.7949955463409424
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210241436958313
+Cn1cc([C@H]2OCC[C@H]2NC(=O)CC2CCCCC2)cn1,-1.447460412979126
+O=C1CCc2c(cccc2C(=O)NCc2ccccc2F)N1,-0.8953889012336731
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9503603577613831
+O=C(NCCc1n[nH]c(=O)c2ccccc12)N1CCOCC1,-1.0798650979995728
+Cc1ccc(C[NH+]2CCN(C(=O)C3CCC=CCC3)CC2)s1,-1.3189048767089844
+O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-1.1211802959442139
+Cc1nnc(NC(=O)C2(c3ccc(F)cc3)CCCC2)s1,-1.0101035833358765
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1,-1.3587124347686768
+O=C(NCC(F)(F)F)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.03734290599823
+CCN1CCN(C(=O)c2ccc(N3CCOC(C)C3)cc2)CC1,-1.186376929283142
+Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1,-0.913982629776001
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.672364354133606
+CC(C)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0988271236419678
+O=C(Nc1cc(Cl)ccc1O)N1CCC(c2ccccc2)CC1,-1.0080407857894897
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0285556316375732
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0306533575057983
+O=C1N(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.402888536453247
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2251957654953003
+CN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.200049877166748
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.009820818901062
+c1cc2c(cc1-c1nc(C[NH+]3CCC4(CCCCC4)C3)no1)CCO2,-0.9889073371887207
+O=C(NCCc1ccc(F)cc1)N1CC2(CCCCC2)C1,-1.5300558805465698
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9742776155471802
+CC(C)(O)CC(=O)N1CCC(OCc2ccccc2)CC1,-1.5987294912338257
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.4130686521530151
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.230387568473816
+C[C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1438924074172974
+C[C@H]1OCCN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)[C@H]1C,-1.1258068084716797
+Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C)CC2)cc1,-1.040382981300354
+O=C1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1,-1.4834249019622803
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846714973449707
+COc1ccc(NC(=O)C(=O)N2CCCS[C@H](C)C2)c(F)c1,-0.952390730381012
+C[C@@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.489762306213379
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.4739048480987549
+COc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(Cl)cc2)cc1,-1.3371036052703857
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0684623718261719
+Nc1ccc(C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)cc1,-0.6380733847618103
+O=C(Nc1cccn2cccc12)c1ccc(-c2ccccc2)o1,-1.2230497598648071
+O=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2s1,-0.9129171967506409
+CO[C@@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.4784693717956543
+CS(=O)(=O)c1ccc(N2CCN(Cc3ccc(F)cc3)CC2)s1,-1.1800310611724854
+O=C(NC[C@@H]1CCCCO1)Nc1ccc(I)cc1,-1.559902548789978
+Cc1ccc(COc2ccc(-c3ccccc3)cc2C)cc1,-1.3757762908935547
+Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8883271217346191
+O=C1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.3565596342086792
+C[C@H]1CCCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.2780570983886719
+C[C@H]1CCc2onc(CNC(=O)c3ccc(Br)cn3)c2C1,-0.7097108960151672
+C[C@H]1CCCC[NH+]1CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0259052515029907
+Cc1ccc(O)c(-c2ccc(C(=O)Nc3ccccc3)cc2)c1,-1.19287109375
+CC(C)C(C)(N)C(=O)NCCOc1ccc(Br)cc1,-1.374292254447937
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.273797869682312
+Oc1ccc(NCc2ccc(Br)cc2)nc1-c1ccccc1,-1.0601212978363037
+C[NH+]1CCN(c2ccc(COc3ccc(N)cc3)cc2)CC1,-1.36085045337677
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(N)c1,-1.1640076637268066
+O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2994518280029297
+Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)s1,-0.8080875873565674
+COc1ccc(CN(C)Cc2ccc(Br)cc2)cc1,-1.5040663480758667
+Cc1ccc(N2CCN(C(=O)Cc3ccc(C)c(F)c3)CC2)cc1,-0.8607540726661682
+Cc1nc2cc(COc3ccc(C(=O)O)cc3)ccc2o1,-1.258385419845581
+O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1F,-0.7941769957542419
+Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1251318454742432
+CC1CN(C(=O)NCCc2ccc(Cl)cc2F)CC(C)O1,-1.0073751211166382
+CC1CCN(c2ccccc2F)CC1,-1.6546170711517334
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9486562013626099
+CC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4328837394714355
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.0204814672470093
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.304563045501709
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Br)CC1,-0.8371673226356506
+COc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1,-1.506365418434143
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4820661544799805
+C[NH+]1CC[C@@]2(CN(C(=O)NCc3ccccc3)CCO2)C1,-1.5961004495620728
+O=C(Nc1ccc(O)cc1)N1CCO[C@H](c2ccccc2F)C1,-1.2125409841537476
+O=C(N[C@@H]1CCO[C@H](c2cccc(Cl)c2)C1)c1ccncc1F,-0.9326465725898743
+Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.0962074995040894
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Br)cc1,-0.985541582107544
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8213450908660889
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.500749945640564
+N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9720287919044495
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3N)CC2)cc1,-1.107401728630066
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.888826310634613
+O=C(NC1(c2ccccc2)CCCCCC1)c1ccc(Cl)cc1,-1.3825047016143799
+O=C(CCc1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1,-0.7094051837921143
+C[C@H](CC1CCOCC1)NC(=O)c1ccc2c(c1)OCO2,-1.5283924341201782
+O=C(NCc1ccccn1)Nc1cccc(F)n1,-1.5864044427871704
+O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2)C1,-1.6302226781845093
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0388678312301636
+Cc1ccc(I)cc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9731536507606506
+COc1ccc(CNC2CCCCC2C(C)C)cc1,-1.489073395729065
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734224319458008
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)nc1,-1.0173720121383667
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2031652927398682
+Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C)C3)cc2)no1,-1.1544976234436035
+Cc1ccc(CNC2CCOC(c3ccc(F)cc3)C2)cc1,-1.339150071144104
+Cc1nnc(N2CCC[C@@H](NC(=O)c3ccn(C)n3)C2)s1,-0.7518659830093384
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,-1.0109754800796509
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(O)cc2)cc1,-1.1000051498413086
+N#Cc1ccc(NC(=O)c2ccc(-c3nncs3)cc2)cc1,-1.089422345161438
+Cc1ccc2sc(C(=O)NCc3ccc(Cl)cc3)cc2c1,-0.9324870109558105
+Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]1,-1.1896394491195679
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4309195280075073
+CC(C)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,-0.764907717704773
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.028451681137085
+C[NH+]1CCC(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9853160381317139
+Oc1ccc(C[C@H]2COCC[NH+]2Cc2ccc(Br)cc2)cc1,-1.4512132406234741
+Cc1ccc2nc(CNC(=O)Cc3ccccc3)oc2c1,-1.416811227798462
+CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5655879974365234
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1200809478759766
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.253661870956421
+C[C@@H]1C[NH+](C)CC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1256829500198364
+CC(C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1,-1.494640588760376
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.380621075630188
+C=CC(O)=Nc1ccc(C(=O)NCc2ccccc2)cc1,-1.5472636222839355
+CC(C)(F)C(=O)N1CCN(C(=O)NC2CCCC2)CC1,-1.1950021982192993
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0806043148040771
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2323215007781982
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.530879259109497
+C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(-c3ccccc3)c2)C1,-1.1363592147827148
+O=C(CN1CCCC1=O)Nc1ccccc1-c1ccccc1,-1.456899642944336
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0278229713439941
+Fc1ccc(C[NH+]2CCC[C@@H](Cc3ccc(Cl)cc3)C2)cc1,-1.3249523639678955
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.015801191329956
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4661134481430054
+C[C@H]1C[NH+](Cc2ccc([O-])cc2)CCN1Cc1ccccc1,-1.4732635021209717
+Oc1cc(NCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.0923256874084473
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1,-1.375809907913208
+Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1,-1.2274824380874634
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.13131582736969
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-1.0010185241699219
+O=C(O)CN1CCCC(C(=O)Nc2ccc(Cl)cc2)C1,-1.4068450927734375
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3586835861206055
+CCC1(CC)CCN(C(=O)c2ccc(OC)cc2)CC1,-1.547680377960205
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8896752595901489
+CN1CCC[NH+](CCNC(=O)c2cccc3ccccc23)CC1,-1.3258143663406372
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)n1,-1.0023566484451294
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.3092358112335205
+c1ccc(-c2nc(CSc3ccc4c(c3)CCO4)no2)cc1,-1.1026157140731812
+Cn1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cn1,-0.9714517593383789
+c1ccc(CN2CCCC2)cc1,-1.9194141626358032
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2cccc(F)c2)C1,-1.1345449686050415
+Clc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-1.0517230033874512
+O=C(Nc1ccc(F)cc1F)N1CCC([NH+]2CCCCC2)CC1,-0.8272050619125366
+CC[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1Br,-1.3609477281570435
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2357666492462158
+Nc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.437942624092102
+O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CC[C@H]1c1ccccc1F,-0.9162715673446655
+C[NH+]1CC[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1,-1.0081766843795776
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172394871711731
+CC(C)Nc1ccc(C(=O)NC2CCCC2)cc1,-1.6550211906433105
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCNC2=O)cc1,-1.2484211921691895
+Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1S,-1.2185667753219604
+O=C(c1ccc(Br)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0467909574508667
+C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3F)CC2)C1,-1.0005073547363281
+Cn1cc(CC(=O)Nc2cc(-c3ccccc3)on2)cn1,-1.5571839809417725
+C[C@@H]1C[NH+](Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H](C)O1,-1.5112755298614502
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2479605674743652
+CC(C)(C)OC1CCN(C(=O)c2ccc(N)cc2F)CC1,-1.0826606750488281
+CCc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C)C3)cc1,-0.78606116771698
+O=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1ccccc1,-1.3289549350738525
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.5068472623825073
+O=C(NC1CCN(c2cc(F)ccc2F)CC1)c1ccccn1,-0.9599685072898865
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Cl)c1)CC2,-0.6561495661735535
+Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1,-0.952101469039917
+O=C(NCc1ccc(Br)cc1)[C@H](O)CCC1CCCCC1,-1.458938717842102
+Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1,-1.2308927774429321
+Cc1ccccc1OCC(=O)N1CCC([NH+]2CCSCC2)CC1,-1.2019866704940796
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.3993489742279053
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571040868759155
+C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9830676913261414
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.0869401693344116
+Cc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1,-1.0889317989349365
+Cc1ccc(NC(=O)c2ccc(O)cc2)cc1N=C(O)C1CC1,-1.042871117591858
+Cc1ccccc1CC(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.3507713079452515
+Cc1ccc(-c2ccc(OCc3ccc(O)cc3)cc2)cc1,-1.4703559875488281
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0335606336593628
+Cc1csc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2)n1,-0.8620791435241699
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.1253437995910645
+Cc1ccc(CNc2nc(C)cc(-c3ccccc3)n2)cc1,-1.0600717067718506
+C1C[C@@H](C2CC2)CO1,-2.032615900039673
+O=C(c1ncccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8302488327026367
+O=C(NCCc1ccc(F)cc1Cl)c1ccc(F)c(Cl)c1,-0.6706225872039795
+O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ccccc2)CC1,-1.126611590385437
+CC(C)(CNC(=O)[C@@H]1CCC[C@H](O)C1)c1ccc(Br)cc1,-1.1822004318237305
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8994644284248352
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0785454511642456
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-0.8558762073516846
+O=C(N[C@@H]1CCCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1,-0.8913836479187012
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9662092328071594
+O=C(NCc1ccc(Cl)c(F)c1)c1ccc2[nH]ccc2c1,-0.9024193286895752
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9130961894989014
+O=C(NC1CCC(c2ccccc2F)CC1)c1ccc(Cl)cn1,-0.7857996821403503
+Cc1cccc([C@H](O)C(=O)Nc2ccc(N(C)C)cc2)c1,-1.289860486984253
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl,-0.8844246864318848
+C[C@H]1Cc2cc(C(=O)N3CC[C@](C)(c4ccccc4)C3)ccc2O1,-1.0212234258651733
+O=C(Nc1nc2c(s1)CCCC2)c1ccc([C@@H]2CCOC2)cc1,-0.8356499075889587
+Cc1ccc(N2CCN(Cc3nc(C(C)C)no3)CC2)cc1,-1.0249462127685547
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.08408784866333
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
+Cc1cc2cc(C(=O)NCc3cccc(O)c3)ccc2[nH]1,-1.354898452758789
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.461336225271225
+CC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1,-1.5315827131271362
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2239400148391724
+Nc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1062597036361694
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1229150295257568
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1692469120025635
+Nc1ccc(O)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.1006451845169067
+Cc1cc(F)ccc1OC1CCN(C(=O)c2ccccc2)CC1,-1.1477950811386108
+O=C([C@H]1CC12CCC2)N1CCC(C[NH+]2CCCCC2)CC1,-1.5212678909301758
+Cc1ccc(OCc2noc(-c3ccc(F)cc3)n2)c(Cl)c1,-0.8989043831825256
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.0229687690734863
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2F)C1)c1ccc(Cl)cc1,-1.0110901594161987
+O=C1CC[C@@H](c2ccccc2)C[C@@H]1C(=O)NC1CCOCC1,-1.34565007686615
+COc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1,-1.4183118343353271
+CC[C@H](C(=O)NCc1ccccc1)C(C)C,-1.6921792030334473
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)cc1,-1.0655555725097656
+O=C(NCc1ccc(Br)s1)c1cc(O)c(F)c(Cl)c1,-0.6787104606628418
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.0188472270965576
+Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c1,-1.0949795246124268
+O=C(c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCOCC1,-1.0946015119552612
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734152793884277
+COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Br,-1.1983157396316528
+Cc1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)o1,-1.1217190027236938
+NCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6054657697677612
+O=C(NC1CC(F)(F)C1)[C@@H]1CCCN(c2ccccc2)C1,-1.3055943250656128
+COc1ccccc1Cn1c(S)nnc1-c1ccc(C)cc1,-0.9976520538330078
+Cc1ccc(N2CCC(NC(=O)c3ncccc3C)CC2)cc1,-1.0047210454940796
+Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1,-1.1235334873199463
+O=C(CCN1CCCCC1)NCCc1ccc(Br)cc1F,-1.2158942222595215
+Cc1ccc(C(=O)N2CCC(C(O)=NCc3ccccc3)CC2)cc1,-1.1406573057174683
+O=C1Cc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2N1,-1.4578759670257568
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2153280973434448
+Cc1cccc(N2CCN(C(=O)c3ccc4ccc(F)cc4n3)CC2)c1,-0.52609783411026
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.195495367050171
+Cn1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1,-0.9282345175743103
+CCOc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.630250334739685
+CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-0.8974236845970154
+O=C1SCCCN1c1ccccc1,-1.7515531778335571
+Cc1ccc(NC(=O)N2CCCC[C@H](c3ccccc3)C2)cc1,-1.372602939605713
+Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.075364589691162
+C[C@H]1CCCC[NH+]1CC1CCN(C(=O)c2ccc(F)nc2)CC1,-0.9088035821914673
+C[NH+]1CC[C@@H](c2ccccc2F)[C@H](NC(=O)c2ccccc2)C1,-1.019991397857666
+[NH3+][C@@H]1CCC2(CCN(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)CC2)C1,-0.8541486263275146
+COc1cccc(CNC(=O)c2cc(Cl)no2)c1,-1.55748450756073
+CC[NH+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.0180355310440063
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1,-1.1074844598770142
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1c1ccccc1,-0.9420357346534729
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)on3)C2)cc1,-1.2220808267593384
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1579967737197876
+O=C(N[C@@H]1CCC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1,-1.3146766424179077
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.528245210647583
+Cc1ccc(C(=O)N2CCNCC2)cc1,-1.6919792890548706
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1152245998382568
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700042247772217
+CC(C)(O)CCNC(=O)Nc1ccc(Br)c2cccnc12,-1.0525381565093994
+Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.3003345727920532
+Cc1cnc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)s1,-1.1396996974945068
+CC(C)(O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.457911491394043
+Cc1ccc(OC2(Cc3ccccc3)CCC(C)CC2)cc1,-1.5514742136001587
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.0479726791381836
+Cc1ccccc1C(=O)Nc1ccnc(N2CC[NH+](C)CC2)c1,-1.0443886518478394
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1847842931747437
+FC1(F)CCC(CNc2ccc(-c3ccccc3)cc2)CC1,-1.3270721435546875
+O=C(Nc1ccc2nncn2c1)N1CCC[C@H]1c1ccccc1,-1.0400534868240356
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.092262864112854
+O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCc2ccc(Cl)cc2C1,-0.5234264135360718
+Cn1cc(CNC(=O)c2ccc(F)cc2)c2ccccc21,-1.0629123449325562
+COc1ccc(CC(=O)Nc2ccc(Cl)cc2Br)cc1F,-0.8066449761390686
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(I)cc2F)CC1,-0.9001653790473938
+Cc1ccc(CNC(=O)CCCc2ccc(Br)cc2)cn1,-1.3274627923965454
+O=C(Nc1ccc(F)cc1)N1CCN(c2ncccc2O)CC1,-1.0113316774368286
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.0817108154296875
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.080064296722412
+Cc1n[nH]c(-c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)n1,-0.9453607797622681
+CCCCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.2418798208236694
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.536813497543335
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2,-1.0701481103897095
+Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.2592253684997559
+CC(C)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1,-1.523740530014038
+O=C([O-])CN1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.5478034019470215
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.067552089691162
+[NH3+]CCCc1ccc(CNC(=O)N2CCOCC2)cc1,-1.6680766344070435
+O=C(Cc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1,-1.4809215068817139
+Fc1ccc(OCC2CCC(c3ccc(F)cc3)CC2)cc1,-1.2188934087753296
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.068597674369812
+O=C(c1ccccc1[O-])N1CCN(Cc2ccc(O)cc2)CC1,-1.2175683975219727
+O=C(Nc1nc2ccccc2o1)c1ccc(N2CCCC2)cc1,-1.1378958225250244
+C[C@H]1CN(C(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.4691448211669922
+CC1N(C(=O)NCc2ccc(F)cc2)CC12CCOCC2,-1.3890327215194702
+O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.2743890583515167
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1,-0.8008787631988525
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.3043947219848633
+C[C@@H]1C[NH+](C2CCN(C(=O)c3ccc(F)cc3F)CC2)C[C@H](C)O1,-0.69113689661026
+Cc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1,-1.5846771001815796
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.255008339881897
+O=C(NCCCCc1ccc(F)cc1)c1cn2ccccc2[nH+]1,-1.4763379096984863
+CN1CCN(c2cccc(C(=O)Nc3ccccc3)c2)C1=O,-1.2473596334457397
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9587860107421875
+O=C(Nc1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1,-1.1061105728149414
+Cc1ccc(CNC(=O)C[C@H]([NH3+])c2cccc(Br)c2)cc1,-1.2662742137908936
+O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4479283094406128
+CC(C)(O)CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1,-1.3738393783569336
+CC1(C)CCC(NC(=O)CCOc2ccc(Br)cc2)CC1,-1.4847209453582764
+O=C(Nc1ccccc1I)N1CCN(c2ccc(F)cc2)CC1,-0.8631380200386047
+Cc1cc(C)cc(-c2cccc(OCc3ccccc3)c2)c1,-1.4397211074829102
+O=C(Nc1ccccc1)N1CCCN(c2ccc(F)cc2)CC1,-1.3118937015533447
+C[C@@H]1CN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C[C@@H](C)O1,-1.0292315483093262
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.113531231880188
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.9103829264640808
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3774693012237549
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccn2)CC1,-0.7766801118850708
+O=C(Oc1ccccc1)N1CCCN(Cc2ccccc2)CC1,-1.5389493703842163
+C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)cc2)CC1,-1.2742135524749756
+O=C(NCc1ccc(Br)cc1)C(O)Cc1ccc(Cl)cc1,-1.2120550870895386
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.0993660688400269
+O=C(NC[C@@H]1CC12CCCCC2)N1CC[C@@]2(CCOC2)C1,-1.5550997257232666
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.06065034866333
+O=C(c1ccccc1)N1CCCC(Oc2ccc(Cl)cc2F)C1,-1.0235891342163086
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0346999168395996
+O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-0.9697825908660889
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.068135142326355
+O=C(NCc1ccccc1)N[C@H]1CCC[C@H](O)C1,-1.6809005737304688
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0081263780593872
+O=C1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1,-1.3273391723632812
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.0112035274505615
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5274014472961426
+C[C@H]1CCCCN1c1ccccc1NC(=O)c1ccc(Cl)cc1,-0.9282999634742737
+O=C(NCc1cccc(F)c1)N1CCC2(CCOCC2)C1,-1.5420540571212769
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(F)cc2)CC1,-0.8929510116577148
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0681462287902832
+Cn1cc(NC(=O)C2CCCC2)c(-c2ccc(F)cc2)n1,-1.111565113067627
+CC[NH+]1CCC[C@H](CNC(=O)c2ccc(C)s2)C1,-1.5177652835845947
+c1ccc(Cc2nc(-c3cccc(N4CCOCC4)c3)no2)cc1,-1.238976240158081
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003897428512573
+Fc1ccc(CNc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.1052160263061523
+Cc1cc(NCc2ccc(-c3ccccc3)cc2)nc(Cl)n1,-0.9698253273963928
+Cc1cccc(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)c1,-1.3523061275482178
+Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl,-1.0962302684783936
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.1221706867218018
+C[C@H]1COCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.4825605154037476
+O=C1CC(NCc2ccc(Br)cc2)CN1c1ccccc1,-1.234821081161499
+CC(C)C(=O)N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1,-1.2389779090881348
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0775749683380127
+CCC(CC)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1,-0.8088869452476501
+O=C(NCc1ccc(Cl)nc1)c1cc2ccc(F)cc2o1,-0.9361060857772827
+Cc1ccc(C[NH+]2CCC[C@H](C)C2)cc1,-1.7290843725204468
+O=C(Cc1ccc(Cl)cc1)NCc1coc2ccccc12,-1.2688426971435547
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)c1,-1.3860070705413818
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6404783725738525
+C[C@H]1CCCN(C(=O)NC2CC(c3ccc(Cl)cc3)C2)C1,-1.042592167854309
+Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl,-1.2373358011245728
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6230337619781494
+Cc1ccc(C(=O)NCc2nc3ccccc3o2)cc1C,-1.1038994789123535
+Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1,-1.3513989448547363
+[O-][S+]1CCN(Cc2ccccc2)CCN(Cc2ccccc2)C1,-1.4947409629821777
+Clc1ccccc1C[NH+]1CCc2nc(Cc3ccccc3)[nH]c2C1,-0.8038111925125122
+O=C(c1ccc(F)cn1)N1CC[NH+](CC2CCCCCC2)CC1,-1.050309419631958
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.096882700920105
+Cc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)c(F)c1,-0.974726140499115
+CC(C)(C)C(=O)NCc1cccc(N2CCOC2=O)c1,-1.429559350013733
+COc1ccc(CNC(=O)C[C@@H]2CCC[NH+](C)C2)cc1,-1.580599069595337
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.1113628149032593
+CC(=O)Nc1ccc(OCC(O)=NCC(C)(C)N)cc1,-1.5694315433502197
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.4161015748977661
+O=C(c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1,-1.0359539985656738
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.2777148485183716
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2674933671951294
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.009604573249817
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2988790273666382
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0707579851150513
+CC(=O)N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1,-1.14991295337677
+Cc1ccc(NC(=O)C2CCN(c3ccccc3C)CC2)cc1,-1.0886682271957397
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9675009250640869
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl,-0.8947446346282959
+[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9686208963394165
+Cc1n[nH]c(C)c1CC(=O)Nc1ccc(-c2ccccc2)cc1,-0.9899621605873108
+COc1ccccc1C[NH+]1CCC(c2cn(C)nc2C)CC1,-1.0164368152618408
+CCNc1cccc(NC(=O)c2cnn(C)c2)c1,-1.6007972955703735
+CC1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2351341247558594
+Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3689213991165161
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8346272706985474
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3708513975143433
+Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1499629020690918
+O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.6138686537742615
+CC(C)(C)c1ccc(C(=O)NC2CCC(=O)CC2)cc1,-1.4669426679611206
+Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)s1,-1.0032151937484741
+Cc1ccc(O)c(C(=O)N2CCC(Oc3ccccc3)CC2)c1,-1.3993161916732788
+Cc1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1,-1.5505666732788086
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3143045902252197
+COc1ccc(CNC(=O)c2csc(Cl)n2)cc1,-1.3170835971832275
+COc1ccccc1CC(O)=NCC(=O)Nc1ccccc1,-1.5448981523513794
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-0.9140082597732544
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210274815559387
+Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)nn1C,-1.0509968996047974
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(Br)c1,-0.9751267433166504
+O=C(c1ccc(Br)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0478739738464355
+CN1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.3462241888046265
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)nc1,-1.0537922382354736
+Nc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0568488836288452
+Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCCC[C@H]3O)CC2)o1,-1.2584794759750366
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(O)cc3)n2)s1,-1.132009744644165
+CC(C)(O)CN1CCC(NC(=O)c2cccc(Cl)c2)CC1,-1.2605196237564087
+O=C(Nc1ccc([C@H]2CCCO2)cc1)c1ccc2[nH]ncc2c1,-1.1228392124176025
+Cc1ccc(CC(=O)NC[C@@H](O)c2ccc(Br)cc2)cc1,-1.4742388725280762
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@@H]1O,-1.0493640899658203
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8378003239631653
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3714146614074707
+COc1ccc(CC(=O)N2CCN(C(=O)C(C)C)CC2)cc1,-1.2173490524291992
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3206156492233276
+COc1ccc(N)cc1CNC(=O)c1cscn1,-1.4132037162780762
+O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)cc1,-1.1184196472167969
+CC[C@H]1COCC[C@H]1C(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0218946933746338
+C[NH+]1CCN(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1,-1.2846879959106445
+N#CC(N=C(O)CCc1ccccc1)OCc1ccccc1,-1.602645993232727
+Cc1ccc(NC(=O)c2ccc(C3CC[NH2+]CC3)cc2)c(O)c1,-1.0730427503585815
+Cc1ccc(F)c(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1,-1.046046495437622
+CN(CC1CCCCC1)C(=O)Cc1c(F)cc(F)cc1F,-0.8253929615020752
+C[C@H]1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3401100635528564
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2469736337661743
+COc1ccc(CNC(=O)c2cc(Cl)co2)cc1,-1.576501727104187
+Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)[C@@H](C)C2)cc1F,-0.5053293704986572
+O=C(Cc1ccc2[nH]ccc2c1)N1CCN(c2ccc(F)cc2F)CC1,-0.5674797296524048
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3132071495056152
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9769536852836609
+Cc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1,-1.4035499095916748
+Cc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.846286416053772
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.500260829925537
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067045450210571
+NC(=O)Cc1nc2ccccc2[nH]1,-1.7241322994232178
+Cc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.925247848033905
+C[C@@H]1CN(C(=O)c2ccc(C(=O)CC(F)(F)F)cc2)C[C@H](C)O1,-0.903918981552124
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)nc1,-1.1378298997879028
+Oc1cc(COc2ccccc2)c(-c2ccccc2)cc1Cl,-1.322219967842102
+Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.1555671691894531
+C[C@H]1CCCC[C@H]1NC=O,-1.9319453239440918
+CC1(C)CC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1,-0.9556025862693787
+CCCOc1ccc(CNc2cccc(O)c2)cc1,-1.698046326637268
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ncccc1Br,-0.7726128101348877
+Fc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)cc1,-1.1960899829864502
+O=C(Nc1ccccc1-c1ccc(F)cc1)c1ccccc1F,-0.9814602732658386
+C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.421186089515686
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1,-1.2137329578399658
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.0431289672851562
+O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccccc1,-0.9386917948722839
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0722203254699707
+CCc1ccc(CNC(C)Cc2ccccc2)cc1,-1.6843576431274414
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.1167000532150269
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1,-1.0797927379608154
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1082251071929932
+CN(C)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1,-1.105704665184021
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2083407640457153
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@H]1O,-1.0535162687301636
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1952210664749146
+CC1(Cc2ccccc2)CC[NH+](Cc2ccc(F)cc2)CC1,-1.5160343647003174
+Cc1cc(S)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.0960386991500854
+Cc1cccc(O)c1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2951929569244385
+CCN1CCCC(C(O)=NCc2ccc(C(=O)OC)cc2)C1,-1.3844982385635376
+Nc1ccc(-c2ccccc2)cc1NCc1ccc(F)cc1,-1.317097783088684
+O=C(NC1Cc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1,-0.9781503081321716
+O=C(NCc1ccc(F)c(F)c1)N1CCc2sccc2C1,-0.8064756989479065
+Nc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cc1,-1.034375786781311
+CCCCC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1,-1.4156745672225952
+Cc1cc(OCc2ccccc2)cc(-c2ccccc2)c1O,-1.3673067092895508
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.999305009841919
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(I)cc1,-1.4281678199768066
+Cn1ncc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)n1,-0.9669082164764404
+O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4232784509658813
+Cc1ccc(NC(=O)N2CCOC[C@H]2c2ccccc2)c(F)c1,-1.1502206325531006
+Nc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)cc1F,-1.0486664772033691
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46132993698120117
+O=C1CCC(NC(=O)c2ccccc2-c2ccccc2)CC1,-1.3326988220214844
+O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-1.047837495803833
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.113288164138794
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8938136100769043
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1202983856201172
+O=C(NCc1ccc(F)cc1F)N1CCC2(CCCC2)C1,-1.1396297216415405
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8123231530189514
+O=C(NCC(=O)N1CCc2ccccc21)c1ccc(I)cc1,-0.9554321765899658
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0432864427566528
+CC(C)[NH+]1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.080378532409668
+CCC[C@@H]1CCCN(C(=O)Nc2ccc(OC)nn2)C1,-1.3287955522537231
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9553762078285217
+C[C@@H]1[C@@H](C)[NH2+]CCN1C(=O)c1ccc(Nc2ccccc2)cc1,-1.0788061618804932
+CN1CC[NH+](Cc2cccc(F)c2)C[C@H]1Cc1ccccc1,-1.5034068822860718
+O=C(c1ccc(C(F)F)cc1)N1CCC[C@@H](c2ccccc2)C1,-0.9893878698348999
+Cc1ccc(CNC(=O)CCc2ccc(O)cc2)c(Cl)c1,-1.2655761241912842
+O=C(COc1ccc(I)cc1)N1CCN(c2ccccc2)CC1,-1.2339390516281128
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-0.9620519280433655
+C[C@H]1CN(c2ccc(OCC(=O)c3ccccc3)cc2)CCO1,-1.4924657344818115
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.26430344581604
+O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2F)CC1,-1.0050013065338135
+Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1,-1.4735268354415894
+CC(C)Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)n2)cc1,-0.8315137624740601
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.9130976796150208
+Cc1ccc(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)C2)cc1,-1.5371173620224
+Cc1ccc(C[NH+]2CCC(Cc3cccc(C)c3)CC2)cc1,-1.4463847875595093
+C[NH+]1CC[C@@H](CNC(=O)NC2CCCCCC2)C1,-1.6462674140930176
+O=C(NCc1ccc2[nH]ncc2c1)N1CCC2(CCC2)C1,-1.2749489545822144
+CCOc1ccccc1CNc1ccc(C)cc1C,-1.5400240421295166
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9717038869857788
+NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.4384047985076904
+CCc1ccc(CNC(=O)[C@H]2CC[C@@H](O)C2)cc1,-1.6235980987548828
+CC1(C)CCC[C@@H]1NC(=O)NCC1CCOCC1,-1.6410688161849976
+CC[NH+]1CC[C@@H](C(=O)OCc2ccc(F)cc2)C1,-1.6079941987991333
+CC[NH+]1CCC(C(=O)N2CCC(C)(c3ccccc3)CC2)CC1,-1.3920520544052124
+CC1(C)CCC(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1,-1.3530758619308472
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3123109340667725
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0167593955993652
+C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)CCO1,-1.6929707527160645
+Cc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4530868530273438
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9669370651245117
+Cc1cccc(C(=O)NC2CCN(CC(=N)O)CC2)c1,-1.5155490636825562
+CC(=O)C(=O)Nc1ccc(Nc2ccc(Br)cc2)cc1,-1.3391237258911133
+[NH3+]CCCc1ccc(CNC(=O)C2CCCCC2)cc1,-1.5922660827636719
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5313692092895508
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(O)o2)CC1,-1.3314542770385742
+CC(C)(C)CNCc1ccc(C(=O)C(F)(F)F)cc1,-1.2294775247573853
+CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1,-1.3708629608154297
+Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1F,-1.2096177339553833
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9640302658081055
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1F,-0.929034411907196
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](F)C1,-1.6351265907287598
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1563493013381958
+O=C(Cc1ccc(F)cc1)N[C@@H]1CCC2(CCOCC2)C1,-1.549362301826477
+Nc1ccc(NC(=O)c2ccccc2F)cc1,-1.6410534381866455
+O=C(NCc1cc2ccccc2o1)N1CCc2ccccc2C1,-1.114850640296936
+CS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2F)cc1,-1.4567257165908813
+O=C(Nc1cccnc1N1CCCC1)c1cc2ccccc2s1,-0.9155238270759583
+C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1,-1.0499061346054077
+O=C(Cc1ccccc1F)NC1CCN(c2ccccc2)CC1,-1.2678028345108032
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.0162066221237183
+O=C1C[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)CCN1,-1.2596499919891357
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.426086187362671
+O=C(C1CC[NH+](Cc2ccc(F)cc2Cl)CC1)N1CCOCC1,-0.934454083442688
+O=C(c1ccc2cc(O)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5760439038276672
+CC(C)(C)C(=O)N1CCC(C(=O)N[C@@H]2CCSC2)CC1,-1.1288883686065674
+Nc1ccc(CC(=O)NCc2ccc3[nH]ccc3c2)cc1,-1.3556182384490967
+CC(C)CC(=O)NC[C@@H]1CC(=O)N(C2CCCCC2)C1,-1.4171274900436401
+Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2n1,-0.36325472593307495
+c1ccc([C@H]2CCN(Cc3ccc(N4CCSCC4)cc3)C2)cc1,-1.2014834880828857
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.0808829069137573
+CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.1548718214035034
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.084766149520874
+c1ccc(C[NH+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1,-1.2372232675552368
+CCOc1ccc(NC(=O)[C@@H]2CC[C@@H](O)C2)cc1,-1.6402413845062256
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.546316385269165
+Cc1ccc(CNC(=O)CCc2ccc(Br)cc2)c(Br)c1,-1.0124021768569946
+Cn1cc(CCNCc2cccc(F)c2)cn1,-1.6405103206634521
+CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.2639949321746826
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCOCC2)C1,-1.0115785598754883
+O=[N+]([O-])c1cc(N2CCOCC2)ccc1OCc1ccccc1,-1.4801077842712402
+CC(=O)NCc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1,-1.0885133743286133
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1158825159072876
+O=C(Cc1ccc(O)cc1)NC[C@@H]1C[C@H]1C1CCOCC1,-1.5228853225708008
+Cc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.1719272136688232
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCO[C@@H]1c1ccccc1,-1.1082372665405273
+Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)c2ccccc2)cc1,-1.2195016145706177
+Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Cl,-1.2306175231933594
+CS(=O)(=O)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1878238916397095
+Cc1ccccc1C(=O)Nc1cc(O)ccc1-c1ccccc1,-1.135931134223938
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4359139204025269
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954852819442749
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-0.9985242486000061
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0579636096954346
+O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)c1ccc2[nH]ncc2c1,-1.0266399383544922
+Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.98702073097229
+O=C(Cc1ccc(O)cc1)NC[C@H](O)Cc1ccccc1,-1.596761703491211
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531965970993042
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.139827847480774
+CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1,-0.9014833569526672
+CC1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.3091042041778564
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.032492756843567
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9550769329071045
+CC1(C)C[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)CCO1,-1.5706701278686523
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0735148191452026
+O=C(c1ccc(O)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.4699151515960693
+Cc1cc(F)ccc1-c1nnc(SCc2ccc(Cl)cc2)o1,-0.7885390520095825
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.253420352935791
+c1ccc(-n2ncnc2C[NH+]2CCC(N3CCOCC3)CC2)cc1,-1.2926411628723145
+O=C(Nc1ccccc1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1721948385238647
+C[NH+]1CCC(C(=O)Nc2cccc(-c3ccccc3N)c2)CC1,-1.0823081731796265
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)o1,-1.3152459859848022
+CC(C)c1ccc(NC(=O)C(O)c2ccc(I)cc2)cc1,-1.0628437995910645
+O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCN(c2ccccc2)C1,-0.8939618468284607
+CC(C)[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1,-0.947579562664032
+O=C(Nc1ccc(N2CCCNC2=O)cc1)c1ccccc1,-1.3141647577285767
+CC(C)(O)CNC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-1.271620512008667
+O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0534334182739258
+COc1cccc(CCNC(=O)c2ccncc2Br)c1,-1.4774771928787231
+O=C(c1cc(F)c(F)c(F)c1)N1CCC(O)(c2ccccc2)CC1,-0.7247377038002014
+O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O,-1.2579554319381714
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8899256587028503
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0356823205947876
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248899459838867
+Cc1nc2c([nH]1)C[C@H](CNC(=O)c1ccc([NH3+])cc1)CC2,-0.8813216090202332
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2352017164230347
+COc1ccccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1,-1.2339659929275513
+CC(=O)NC1CCN(C(=O)Cc2ccc(C)cc2)CC1,-1.4902946949005127
+Cc1ccc(CN2CCN(CC(=O)N3CCCCC3)CC2)cc1,-1.4340132474899292
+O=C(Nc1ccccn1)N1CCN(c2ccc(F)cc2)CC1,-1.1949880123138428
+O=C(Cc1ccccc1)N1CCC(CN2CCCC2=O)CC1,-1.4761751890182495
+Cc1ccc(N2CCN(C(=O)NCC(F)(F)F)CC2)cc1,-1.1244726181030273
+O=C(NCCCCCO)N1CCC(c2ccc(Cl)c(F)c2)CC1,-1.0477659702301025
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0478625297546387
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)no1,-1.2483478784561157
+O=C(Nc1ccc(F)cc1O)N1CCC(c2ccccc2)CC1,-1.0777060985565186
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3842848539352417
+[NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1,-1.1956905126571655
+Cc1ccc(CC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4535654783248901
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1965159177780151
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.226539969444275
+Cc1ccc2[nH+]c(C(=O)NCc3ccc(O)cc3)cn2c1,-1.425093650817871
+C[C@@H]1Cc2ccccc2N1CC(=O)NS(=O)(=O)c1ccccc1Br,-0.948962390422821
+Cc1ccc(F)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-1.0478814840316772
+Cc1noc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n1,-1.0384942293167114
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.205260992050171
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.3006300926208496
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3278340101242065
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1,-1.1105231046676636
+Cc1ccc(C[NH+]2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.4507704973220825
+Cc1cccnc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9206048250198364
+CN1CCN(c2ccc(COc3ccc(N)cc3)cc2)CC1,-1.3633397817611694
+C[NH+]1CC[C@H](NC(=O)c2ccoc2-c2ccc(Cl)cc2)C1,-1.2009360790252686
+O=C(Nc1ccccc1Cl)c1ccc(N2CCOCC2)c(F)c1,-0.9320570826530457
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3255306482315063
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)nn1,-1.0193572044372559
+C[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(F)ccc1N,-0.9982044100761414
+O=C(CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1,-1.2250375747680664
+O=C(COCc1ccccc1)Nc1ccccc1,-1.7471576929092407
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(I)cc1,-1.2446534633636475
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1cccc(F)c1,-1.2542141675949097
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2902278900146484
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1772404909133911
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0294982194900513
+O=C(NCc1cc2ccccc2o1)c1ccc(O)c(O)c1,-1.274045705795288
+O=C(Nc1nc2ccccc2s1)c1csc(-c2ccccc2)n1,-0.7892419099807739
+O=C(c1ccc2ccc(F)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5830467343330383
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4270448684692383
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.0007975101470947
+O=C(c1ccc(F)cc1F)N1CCCC(Cc2ccccc2)C1,-0.9718704223632812
+O=C(c1ccc(C(=O)N2CC[C@H](F)C2)cc1)N1CCCCC1,-1.062247633934021
+Cc1ccc(C(=O)NC2CCN(c3ccccc3O)CC2)cc1,-1.273521900177002
+CCOc1ccc(NC(=O)CC2CCOc3ccccc32)cc1,-1.502148985862732
+O=C(NCc1ccc2ccccc2c1)c1cc2ccccc2s1,-0.9840128421783447
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0365029573440552
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.095999002456665
+[NH3+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)nc2)C1,-0.9344896674156189
+COC(=O)CCc1cccc(NCc2ccccc2)c1,-1.644863247871399
+Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.227371335029602
+O=C(Nc1ccc(I)cc1O)c1ccc(N2CCOCC2)cc1,-1.018450140953064
+O=C(c1ccccc1Br)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8807719945907593
+COc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1,-1.5497922897338867
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2C)cc1,-1.1896833181381226
+O=C(Cc1ccc(I)cc1)NC[C@@H](O)Cc1ccccc1,-1.4427725076675415
+Nc1ccc(NCc2ccccc2)cc1-c1ccc(Cl)cc1,-1.1415003538131714
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2443221807479858
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8734710812568665
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.1488118171691895
+CC(C)(C[NH+]1CCCCC1)NC(=O)c1ccc(F)cc1[NH3+],-1.299357533454895
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8977429270744324
+C[NH+]1CCN(C(=O)c2ccc(Nc3ncccc3Cl)cc2)CC1,-0.9688599705696106
+Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1,-1.4614640474319458
+CC(C)(C)C(=O)c1ccc(C(=O)NC2CCNC2)cc1,-1.4402450323104858
+O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.5399309396743774
+Cc1cc(NCc2ccccc2)nc(-c2ccc(F)cc2)n1,-1.1371939182281494
+CC1(C)CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3)C2)C1,-1.540817379951477
+O=C(c1cc(F)ccc1O)N1CCN(CC2CCCCC2)CC1,-1.1271933317184448
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689021110534668
+O=C(Nc1ccc(N2CC[C@H](O)C2=O)cc1)c1ccccc1,-1.4682321548461914
+Cc1ccccc1CNC=O,-1.9230334758758545
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894861698150635
+Cc1cc(-c2ccccc2)ccc1NC(=O)Cc1ccccc1,-1.4062066078186035
+COc1ccc(CNC(=O)[C@@H]2CC[C@@H](O)C2)cc1,-1.633147120475769
+O=C(Nc1ccc(F)cc1O)N1CCC[C@H](c2ccccc2)C1,-1.0813182592391968
+O=C(NCc1ccc[nH]1)Nc1ccc(Br)cc1F,-1.3665111064910889
+CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.5845842361450195
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.280408263206482
+O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.075080394744873
+O=C(NC1CC1C1CCOCC1)c1csc(C2CCCCC2)n1,-0.9420658349990845
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4978047609329224
+Cc1ncc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.8249458074569702
+O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4825445413589478
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1020450592041016
+O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1,-1.0223870277404785
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0545920133590698
+Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cs1,-0.9013370275497437
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.5595897436141968
+CC(C)[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCOCC1,-1.4456123113632202
+O=C(Nc1ccc(F)cc1F)N1CCOC[C@H]1c1ccccc1,-1.0747056007385254
+Oc1ccc(C[C@H]2CCN(Cc3ccc(F)cc3F)C2)cc1,-1.2340264320373535
+Cc1ccc(-c2ccc(C(=O)NC3CCCCCC3)cc2)cc1,-1.2977871894836426
+O=C(c1ccccc1)N1CCC(Nc2ccc(F)cc2F)CC1,-0.9780125617980957
+O=C(Nc1ccccc1Br)N1CCOC[C@@H]1c1ccc(F)cc1,-0.9858062267303467
+O=C(Nc1cccc2nonc12)c1ccc(-c2nn[n-]n2)cc1,-0.8036966323852539
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5164915323257446
+CC(C)c1ccc(C(=O)N2CCCCC2c2ccccc2)cc1,-1.0733543634414673
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023304462432861
+O=C(N[C@H]1CC12CCCC2)c1coc(-c2ccccc2)n1,-1.541038990020752
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8853588104248047
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1200900077819824
+CCS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1Br,-1.0606789588928223
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0561459064483643
+c1ccc(CNc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.0589648485183716
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-1.0384330749511719
+O=C(NC1CCCC1)N1CCC[C@H](c2cc3ccccc3o2)C1,-1.1514383554458618
+O=C(c1ccc2ccc(O)nc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5896080136299133
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0091356039047241
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975635170936584
+Cc1nc2c(s1)CC[NH+](CC(=O)NCC1CCCCC1)C2,-0.9418777823448181
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3578375577926636
+Cn1nc(C(=O)NCc2cccc(Cl)c2)c2ccccc21,-0.8958328366279602
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700123310089111
+CN1CCN(c2ccccc2NC(=O)C2CCCCC2)C1=O,-1.212445616722107
+CC(C)(C)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,-1.2401889562606812
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5500887632369995
+Cc1nc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)cs1,-0.9774336218833923
+O=C1NCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.094068169593811
+CN1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1=O,-1.2503361701965332
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8470591902732849
+C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8908385634422302
+O=C(NC1CCOCC1)C1CCN(c2ccc(F)cc2F)CC1,-0.9353300333023071
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1102368831634521
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1425364017486572
+CC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CCOCC1,-1.590985655784607
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1Cl,-0.4059905409812927
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8731070160865784
+C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1,-1.5245083570480347
+Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.1579138040542603
+C[C@H](CC(=O)NCc1ccc(O)cn1)c1ccc(Br)cc1,-1.1674870252609253
+O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1,-1.0229575634002686
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCOCC2)C1,-1.6639230251312256
+Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2F)CC1,-0.8009651899337769
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2,-1.2416174411773682
+O=C(N[C@@H]1CCO[C@@H]1C1CCCCC1)c1c[nH+]c2ccccn12,-1.1830134391784668
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9485094547271729
+C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2,-1.4387637376785278
+O=C(NCCC1CCC1)NCC[NH+]1CCCCC1,-1.7026935815811157
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5293922424316406
+C[C@@H]1CCN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C[C@H]1C,-0.9911776781082153
+Cc1ccc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc1,-1.4119431972503662
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2145947217941284
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718969106674194
+C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3N)CC2)C1,-1.0410454273223877
+O=C1[C@H](OCc2ccccc2)CCN1c1ccc(I)cc1,-1.3035459518432617
+COc1ccc(OCC(=O)N2CCC(C)=C(Cl)C2)cc1,-1.231594204902649
+O=C(N1CCCCC1)N1CCCN(Cc2ccc(F)cc2)CC1,-1.257137656211853
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.578159213066101
+O=C(Nc1ccc(O)cc1)c1ccc(OC(F)(F)F)cc1,-1.4152133464813232
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653813242912292
+C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2ccccc21,-0.905707597732544
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.2588145732879639
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0830433368682861
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.10580575466156
+Clc1ccc(OCc2ccccc2)c(-c2ccccc2)c1Br,-1.1058638095855713
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Br)c2)C1,-1.1054399013519287
+CN1CC[C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1=O,-1.1256308555603027
+C[NH+]1CCN(c2ccc(NC(=O)N3CCCCCC3)cc2)CC1,-1.3500319719314575
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5312950611114502
+NS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)s1,-0.9559849500656128
+Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)n[nH]1,-0.9402158260345459
+O=C(c1cccc(F)c1Cl)N1CCC[C@@H](Cc2ccccc2)C1,-0.898159921169281
+NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc1,-1.0746005773544312
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0314347743988037
+CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1,-1.539402723312378
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9689187407493591
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9812792539596558
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.021024465560913
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc12,-0.4606190323829651
+Cc1ccc(NC(=O)NC[C@H]2CCCCO2)nc1,-1.6990447044372559
+c1ccc(Cc2nc(-c3ccc(N4CC[NH2+]CC4)cc3)no2)cc1,-1.3177083730697632
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700068473815918
+Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c(F)c1,-0.9819060564041138
+O=C(NCCC[NH+]1C[C@@H]2CC[C@@H](C2)C1)c1ccc(O)cc1,-1.4315662384033203
+C[C@H]1C[C@H](NC(=O)NCC2CCCCC2)CCO1,-1.668496012687683
+CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5536714792251587
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8134320378303528
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.4562475681304932
+Cc1sc2ccccc2c1C(=O)NCc1ccc(F)cc1,-0.9063026905059814
+O=C(Nc1cc(O)ccc1F)c1ccc(N2CCOCC2)cc1,-1.1374211311340332
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531803846359253
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cn1,-0.9901158213615417
+CCN1CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-0.9213017225265503
+Cc1cc(F)ccc1NC(=O)c1cccc(N2CCCCC2)c1,-1.0209882259368896
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1891670227050781
+COCCCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5951871871948242
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9669564962387085
+O=C(Cc1ccccc1F)N[C@H]1CCCC[C@H]1c1ccccc1,-1.1974459886550903
+O=C(NCc1ccc(F)c(F)c1)c1c[nH]c2ccccc12,-0.9404159188270569
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.015674352645874
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.4997726678848267
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.0225244760513306
+CC(C)(CC(=O)O)NCc1ccccc1-c1ccccc1,-1.5377709865570068
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.4990334510803223
+O=C(Nc1ccc(N2CCOCC2)cc1)C(O)=Nc1ccc(F)cc1,-1.1545690298080444
+CCOc1ccc(C[NH+]2CCOC3(CC[NH+](C)CC3)C2)cc1,-1.5563479661941528
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0801644325256348
+N#Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1,-1.2495778799057007
+C[NH+]1CCC(NC(=O)N2CCC(c3ccccc3F)CC2)CC1,-0.9711012840270996
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9649034142494202
+O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1124050617218018
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5317630171775818
+Cc1ccc(CNC(=O)N2CCCC3(CCOCC3)C2)s1,-1.500636100769043
+Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)cc1F,-0.7517710328102112
+CC(C)CNc1ccc(OCc2ccccc2)cc1,-1.6562328338623047
+N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1,-1.3050695657730103
+C[C@H]1CCCN(C(=O)NC[C@@H](O)Cc2cccc(Br)c2)C1,-1.3076939582824707
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2422831058502197
+O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2cccc(Br)c2)CC1,-0.5086295008659363
+O=C(CCc1cccnc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5079323053359985
+Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)cc1,-1.143815040588379
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101747989654541
+O=C(NC1CCN(c2ccccc2)CC1)C(O)c1ccccc1,-1.4430433511734009
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0062333345413208
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1543378829956055
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.389583945274353
+CCN1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9664916396141052
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060303449630737
+Nc1ccc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1,-0.7573544979095459
+Fc1ccc(NCc2ccc(-c3ccccc3)c(F)c2)cc1,-1.1880215406417847
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2974129915237427
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1,-1.5663124322891235
+C[C@H]1C[C@@H](NC(=O)c2ccc(N)cc2)CCN1c1ccccc1,-1.0879120826721191
+O=C(NCc1ccc(Br)cc1)[C@H]1CCOC2(CCCC2)C1,-1.4648518562316895
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3639754056930542
+Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccccc2)C1,-1.0307300090789795
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.9412199854850769
+O=C(NCc1ccccc1)Nc1ccc(Br)nc1,-1.5432636737823486
+O=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2Cl)CC1,-0.8489014506340027
+Oc1ccc(CNc2ccc(C3CCCCC3)cc2)cc1O,-1.3147401809692383
+CC(C)[NH+]1CCC[C@@H](CNC(=O)c2cnco2)C1,-1.5958279371261597
+Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2O)nn1,-0.9369247555732727
+COCCC(=O)Nc1ccc(-c2ccc(Cl)c(F)c2)cc1,-1.248061180114746
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0226268768310547
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9738733172416687
+CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6142067909240723
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.0795176029205322
+Cc1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2)cc1,-1.58966064453125
+Cc1nn(CC(C)C)cc1C(=O)Nc1ccc(F)c(Br)c1,-0.6183519959449768
+O=C(NC1CCC(c2n[nH]c3ccccc23)CC1)c1cccs1,-0.887108564376831
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9894247651100159
+CC1CC[NH+](Cc2ccccc2C[NH+]2CCN(C)CC2)CC1,-1.3593755960464478
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccn(-c2ccccc2)n1,-1.073583960533142
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2916184663772583
+O=C(NCC(O)=NCCC1CCCCC1)c1ccc(Br)cc1,-1.2447974681854248
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2208670377731323
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)[C@@H](C)C2)cc1O,-0.6954529881477356
+C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1I,-0.969344437122345
+O=C(CCc1ccc(O)cc1)NC[C@H]1CCCC(=O)N1,-1.5684587955474854
+C[C@@H]1CCC[NH+](C[C@@H](O)CNC(=O)c2ccc(F)cc2)C1,-1.5327985286712646
+Cc1nnc(NC(=O)N2CC[C@H](c3ccc(Br)cc3)C2)o1,-0.9671325087547302
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.4347971677780151
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8982124924659729
+Cc1ccc(NC(=O)C2CCN(c3ccccn3)CC2)c(C)c1,-0.9866343140602112
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1,-1.2780407667160034
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9144159555435181
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547824144363403
+Cc1ncccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9016849994659424
+O=C(O)C1CCCN(C(=O)c2ccnn2-c2ccccc2)C1,-1.1613028049468994
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)no3)C2)cc1,-1.3494913578033447
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.006187081336975
+O=C(N[C@@H](C(=O)[O-])C(=O)c1ccccc1)c1ccccc1,-1.5312820672988892
+Nc1cc(F)ccc1C(=O)NC1CCC([NH+]2CCCCC2)CC1,-0.9026214480400085
+O=C(N[C@@H]1CCCOC1)c1ccc(-c2ccc(F)cc2F)cc1,-1.0107150077819824
+CC(C)CC[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1,-1.2369683980941772
+CC(C)(CNC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1,-1.1402770280838013
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0914701223373413
+O=C(NCc1ccc(O)c(Cl)c1)[C@@H]1C[C@@H]1C1CCOCC1,-1.0932668447494507
+C[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3610947132110596
+O=C(c1ccccc1Cl)N1CCN(Cc2cccc(F)c2)CC1,-0.9358579516410828
+CC(C)(O)CC(=O)NCC1CCCCC1,-1.8003062009811401
+O=C(Nc1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1,-0.8747543692588806
+Cc1ccc(NC(=O)CCOc2ccc(Br)cc2)c(N)c1,-1.2519081830978394
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2cccc(Cl)c2)CC1,-0.3905307650566101
+Cc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.1045289039611816
+Cc1ccccc1NC(=O)C[NH+]1CCC[C@H](c2ccccc2)C1,-1.3878765106201172
+C[C@@H]1CCC[NH+](CCNC(=O)c2ccc3c(c2)CCN3)C1,-1.3473541736602783
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2070327997207642
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.0045744180679321
+Cc1ncccc1C(=O)N1CCCC[C@@H]1Cc1ccc(Br)cc1,-0.9119487404823303
+CC(C)C1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1,-1.0013221502304077
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413359642028809
+Cn1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1,-1.1833338737487793
+C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.9049539566040039
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cc1,-1.1133304834365845
+C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N)c3)cc2)CC1,-1.144989252090454
+Cc1cc(Br)ccc1C(=O)N[C@@H](C)Cc1ccc(F)cc1,-1.0615899562835693
+Cc1ccc(OCc2nc(-c3ccc(F)cc3)no2)c(Cl)c1,-0.9086045026779175
+O=C(NCCOc1ccccc1)c1cc(Br)no1,-1.5768815279006958
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0722994804382324
+Cc1ccc(COc2ccc(C)c(-c3ccccc3)c2)cc1,-1.373782753944397
+CN=C(O)c1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,-0.9417636394500732
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2750592231750488
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898586869239807
+CC(C)(C)COC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.3921685218811035
+Cc1ccc(-c2nocc2C(=O)Nc2nnc(C)s2)cc1,-0.8365204334259033
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1903839111328125
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5311726331710815
+Oc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1,-1.506430745124817
+CC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1,-0.8132243156433105
+[NH3+]c1ccc(CNC(=O)Cc2nc3ccccc3s2)cc1,-1.160705804824829
+c1ccc(Cc2noc(COC3CCCC3)n2)cc1,-1.6815141439437866
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH]1,-1.2721798419952393
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3F)C2)cc1,-1.0549092292785645
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9737319946289062
+C[NH+]1CCCCC[C@@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(F)cc1,-1.093324065208435
+O=C(Nc1cccc(Br)c1)N1CCC[C@@H](N2CCCC2=O)C1,-0.9782849550247192
+O=C(NCC(O)=NCc1ccc(F)cc1)c1ccccc1F,-1.2324479818344116
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nc1,-1.0720220804214478
+NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1,-1.5330110788345337
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)nc3)CC2)cc1,-1.328187346458435
+O=C(Oc1ccc(Cl)cc1)[C@@H]1CCCCN1CC(F)(F)F,-0.9905962347984314
+Fc1ccc(-c2ccc3c(n2)C[NH+](Cc2nc4ccccc4s2)CC3)cc1,-0.35570600628852844
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(Br)cc1F,-0.8255425691604614
+O=C(CC1CCCCCC1)Nc1ccc(N2CCOCC2)cc1,-1.5618233680725098
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1573935747146606
+C[C@@H]1CN(C(=O)c2ccccc2Br)CC[NH+]1Cc1ccccc1,-0.9981968402862549
+Nc1cccc(NC(=O)Nc2ccc3c(c2)OCCC3)c1,-1.4983232021331787
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9132115840911865
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.460101842880249
+CCc1nn(C)cc1CNC(=O)c1ccccc1,-1.4976640939712524
+O=C(Cc1ccc(Cl)cc1)N[C@H]1CCCN(C(=O)[O-])C1,-1.2962074279785156
+Cc1occc1C(=O)N1CCC[C@H]1Cc1ccc(Cl)cc1,-1.106374740600586
+C[C@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1,-1.204102635383606
+O=C(N[C@@H]1CCC[C@H](F)C1)c1ccccc1CC(F)(F)F,-1.0265320539474487
+O=C(N[C@@H]1CCC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F,-1.034044623374939
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.2033898830413818
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccn2)CC1,-1.4948756694793701
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8676936030387878
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2145044803619385
+O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9450190663337708
+O=C(NC1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1,-1.3127789497375488
+Cc1cccc(CN2CCCC[C@H]2Cc2ccc(F)cc2)c1,-1.437060832977295
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2o1,-1.088520884513855
+O=C(CC[C@H]1CCCCO1)Nc1ccc(N2CCSCC2)cc1,-1.5112148523330688
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0622649192810059
+C[C@@H](N)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.0864958763122559
+CC(C)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1,-1.2093993425369263
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2o1,-1.0182263851165771
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2200806140899658
+C[C@@H](Cc1ccc(Br)cc1)NC(=O)CC[NH+]1CCCCC1,-1.4508106708526611
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3587568998336792
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.1864335536956787
+CCCC(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1,-0.988375186920166
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)nn1,-0.8500140309333801
+O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1=O)C1CCCCC1,-1.146668553352356
+Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3214086294174194
+c1ccc(-c2ccc(C[NH+]3CC[C@@H](c4ccccc4)C3)cc2)cc1,-1.4000056982040405
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9351450204849243
+O=C(CCN1CCOC1=O)Nc1cccc(-n2cccn2)c1,-1.4960745573043823
+Cc1cc(NC(=O)c2ccco2)n(-c2ccc(Br)cc2)n1,-1.0425063371658325
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9068491458892822
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2863514423370361
+Cc1nc(C[NH+]2CCN(C(=O)Cc3cccs3)CC2)cs1,-1.1395624876022339
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9952670931816101
+Clc1ccc(COc2cc(Br)ccc2N2CCOCC2)cc1,-1.0940603017807007
+O=C(Nc1ccc(Cl)nc1)C(=O)Nc1cccc(Br)c1,-1.1075416803359985
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0198298692703247
+O=C(c1ccccc1Br)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0465030670166016
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9727230072021484
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.208420753479004
+O=CN[C@@H]1CCN(c2ccc(F)cc2)C1,-1.746536374092102
+Cc1ccc(-c2nnc(NC(=O)CCC3CCOCC3)o2)cc1,-1.363897442817688
+O=C(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.6651973724365234
+Cc1ccc(N2CCC(NCc3ccc(N)cc3)CC2)cc1,-1.2352547645568848
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.9460139274597168
+Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(F)c2)n1,-1.0137035846710205
+C[C@@H]1C[C@@H](NC(=O)CC2CCCCC2)CCN1c1ccccc1,-1.285322904586792
+CC[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2O)CC1,-1.3873149156570435
+O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,-0.9972460865974426
+CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC(c2ccccc2)CC1,-1.0391120910644531
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9550533890724182
+CC(C)(C)[C@@H](NC(=O)c1cccc(S)c1)c1ccccc1,-1.2931815385818481
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-1.0709969997406006
+O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1Cl,-0.8613758683204651
+Cc1cc(F)ccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1,-1.5335049629211426
+c1ccc(CNc2nc3ccccc3nc2-c2ccccc2)cc1,-0.9621944427490234
+Cc1nc(CC(=O)Nc2n[nH]c(-c3ccccc3)n2)cs1,-0.9799016714096069
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0324034690856934
+C[NH+]1CCN(Cc2ccc(Br)cc2)C[C@H]1Cc1ccccc1,-1.2617824077606201
+Cc1cnccc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9507209658622742
+O=C(NCC1CC1)N1CCCN(c2cccc(Cl)c2)CC1,-1.2977274656295776
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9948179125785828
+Cc1ccccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.0964215993881226
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(Br)cc1,-0.9404118061065674
+COc1ccc(CNC(=O)N2CCCCC[C@@H]2C)cc1,-1.55120050907135
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2035857439041138
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1Cl,-0.7887997627258301
+CS(=O)(=O)c1cnc(N2CC[NH+](Cc3ccc(F)cc3)CC2)s1,-0.971545398235321
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4463300704956055
+CN1CCN(c2ccc(NCc3ccc(O)cc3)cc2)CC1,-1.4089634418487549
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4238898754119873
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.286824107170105
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604636907577515
+Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.9754900932312012
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8855515122413635
+Cc1cc(Cl)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.9605615735054016
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccncc1Cl,-0.7483683824539185
+C[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1471651792526245
+[NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1,-1.4905097484588623
+O=C(NCCCc1ccccc1)Nc1ccccc1Br,-1.5169099569320679
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617215394973755
+Nc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0549561977386475
+COc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-1.0280816555023193
+Cc1nnc(SCC(=O)NCc2ccccc2)[nH]1,-1.5364161729812622
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(I)cc1,-0.9745949506759644
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)c(C)c1,-1.3062832355499268
+C[C@@H]1CCC[NH+](CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1,-0.678617537021637
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3386619091033936
+COc1ccc(CNC(C)Cc2ccccc2)cc1,-1.6475133895874023
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2o1,-1.087498426437378
+Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1,-0.959221363067627
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934279322624207
+O=C(Nc1n[nH]c2ccccc12)c1ccc(-c2ncco2)cc1,-0.9939911961555481
+Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(F)c1,-1.1100114583969116
+O=C(N1CCC(c2ccccc2)CC1)N1CCOC[C@H]1C1CC1,-1.1520596742630005
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9616988301277161
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1342681646347046
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)CC2)cc1,-1.360689401626587
+CC(C)Oc1ccc(CCC(=O)N2CC[NH2+][C@@H](C)C2)cc1,-1.4516007900238037
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)nc1,-0.9944829344749451
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1Cl,-0.7226876020431519
+CC1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)C1,-0.9938601851463318
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.3346070051193237
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1903049945831299
+CC1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1,-1.1270971298217773
+Cc1cc(C(=O)Nc2ccnn2-c2ccc(Br)cc2)no1,-1.0053722858428955
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-0.9949238896369934
+Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCOCC2)cc1C,-1.1754287481307983
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.4399644136428833
+C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2)C[C@@H](C)O1,-1.6130356788635254
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1cccc(Cl)c1F,-0.7839545607566833
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1148542165756226
+Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1867262125015259
+Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl,-0.7210112810134888
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(F)cc1,-1.1991852521896362
+CC1(O)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.2766913175582886
+C[C@@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.4016605615615845
+O=C1CCC(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.3404189348220825
+COC(=O)c1cccc(OC)c1C[NH+]1CCCC[C@H]1C,-1.4012647867202759
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1,-1.1437101364135742
+O=C(CCc1ccccc1)N[C@@H]1CCCO[C@@H]1c1ccccc1,-1.5287244319915771
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3945538997650146
+Cc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.229587435722351
+COC1CCN(C(=O)Cc2ccccc2)CC1,-1.6977192163467407
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599977135658264
+Fc1ccc(C[NH+]2CCC(CC3CCOCC3)CC2)cc1F,-1.2087421417236328
+CN(C)c1cccc(CC(=O)Nc2cc(Cl)ccc2Br)c1,-0.860443115234375
+Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.2085378170013428
+COc1ccc(CNC(=O)CN=C(O)C2CCCCC2)cc1,-1.525224208831787
+COc1ccc([C@]2(O)CC[NH+](Cc3ccc(C)cc3)C2)cc1,-1.5144927501678467
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9000359177589417
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125000953674316
+[NH3+]CCCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccco1,-1.657374620437622
+Cn1cc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)cn1,-0.87205570936203
+O=C(Nc1ncccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.7714723944664001
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4551067352294922
+O=C(Cc1ccccc1)Nc1ccc(-c2ccc(O)cc2)cc1,-1.4806684255599976
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750075578689575
+O=C(Nc1ccccc1F)N1CCC(c2ccc(O)cc2)CC1,-1.0737906694412231
+Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.039701223373413
+Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1,-0.9749971032142639
+CC1CCCC(NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.1865293979644775
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5910911560058594
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9106751084327698
+CC(C)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1,-1.5354654788970947
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1,-1.302646279335022
+C[C@@H]1CCCCN(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.2572866678237915
+Cc1ccccc1C(=O)N1CCN(CC(=O)c2ccccc2)CC1,-1.190833568572998
+C[NH+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4086580276489258
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2633907794952393
+O=C(c1ccc2ncc(Cl)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.41546398401260376
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(O)cc2)cc1,-1.5307807922363281
+CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](OCc2ccccc2)C1,-1.5021014213562012
+Cc1ccc(-c2nc(COc3ccc(Cl)cc3C)no2)cc1,-0.9523496627807617
+O=CNCCc1ccc(F)cc1,-1.9238865375518799
+CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc(F)cc3)C2)CC1,-0.9515681862831116
+CCc1nnc(NC(=O)Nc2cccc(C)c2)s1,-1.3846346139907837
+Cc1ccc(NC(=O)c2ccc(N)cc2)cc1-c1ccccc1,-1.1166198253631592
+O=C(C1CCCc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.6887908577919006
+C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1,-1.499218463897705
+CCC(NC(=O)c1ccccc1)C(O)=NCc1ccccc1,-1.5366545915603638
+Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1,-0.9731417298316956
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC(=O)C2)cc1,-1.486452579498291
+O=C(NCc1ccc(Br)cc1Cl)Nc1cccs1,-1.1868724822998047
+Fc1ccc(-c2ccccc2NCc2ccc(Cl)cc2)cc1,-1.2090827226638794
+[NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccccc3F)CC2)C1,-0.9243713021278381
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0851752758026123
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8844864964485168
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.202868938446045
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.342564344406128
+O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1ccc2[nH]ccc2c1,-1.1050947904586792
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9726082682609558
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1384235620498657
+Cc1ccc(C2CC(NC(=O)c3ccc(F)cc3)C2)cc1,-1.307549238204956
+O=C(N[C@H]1CCCO[C@H]1c1ccccc1F)c1ccc(Cl)cc1,-1.0698856115341187
+Cc1cc(I)ccc1NC(=O)c1ccc(C2CCCCC2)cc1,-0.9494094252586365
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9654427170753479
+CCc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1,-1.265197515487671
+CCOc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1,-1.6968103647232056
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2cccc(F)c2)CC1,-1.0637987852096558
+O=C(Cc1cccc(F)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,-0.5902783870697021
+CCOc1ccc(C(=O)NCC(=O)O)cc1O,-1.6392853260040283
+O=C(NC1CCCCC1)N1CCN(c2ccccc2)C(=O)C1,-1.352711796760559
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Br,-0.8851111531257629
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2o1,-1.088584542274475
+NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.4479892253875732
+CN(C)c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1,-1.2841548919677734
+O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H](c2ccccc2)C1,-1.4059282541275024
+Cc1nc2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2o1,-1.0979421138763428
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.107418179512024
+Cc1ccc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(C)s2)cc1,-1.187134027481079
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)nc1,-0.9836896657943726
+Fc1ccc(-c2nc(COc3ccc(Cl)cc3Cl)no2)cc1,-0.7715513706207275
+CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.3336294889450073
+O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.625404715538025
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4661188125610352
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2714420557022095
+Cc1cc(CNC(=O)c2ccc3[nH]ncc3c2)ccc1O,-1.0784653425216675
+CC(C)(C[NH3+])C(=O)NCc1cccc(-c2ccccc2)c1,-1.527173399925232
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.137234091758728
+Cc1ccc(CC(=O)NCc2cc3ccccc3o2)cc1,-1.5157899856567383
+Cc1ccc(OCCC(=O)Nc2ccc(Br)cc2F)cc1,-1.3713750839233398
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2457295656204224
+O=C(C[NH+]1CC[C@H]2CCC[C@@H]2C1)NCc1ccc(Br)cc1,-1.1817796230316162
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2F)CC1,-1.075730562210083
+O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520251989364624
+O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2o1,-1.1098427772521973
+Cc1nc2c(o1)CC[C@H](NC(=O)c1ccn(C(C)C)n1)C2,-0.7933642864227295
+O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2934370040893555
+O=C(C[NH+]1CCC[C@@H](C(=O)[O-])C1)Nc1ccc(Br)cc1,-1.3528307676315308
+Cc1ccccc1N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1,-0.9630544185638428
+Cc1cccnc1NC(=O)N1CCCC[C@@H]1c1ccc(Br)cc1,-0.9002373218536377
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389467477798462
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.8983091115951538
+O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4375
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0857287645339966
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2434417009353638
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(Br)cc1,-0.8941122889518738
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1615499258041382
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6734024286270142
+Clc1ccc(NCc2cccc(-c3ccc(Br)cc3)c2)cc1,-1.183362364768982
+O=C(NCc1ccc2n[nH]nc2c1)c1ccc(O)c(F)c1,-0.860804557800293
+NC(=O)CNC(=O)N1CCCC[C@H]1c1ccc(Br)cc1,-1.2201294898986816
+O=C(NCC1CCOCC1)[C@@H]1CCC[NH+](C2CCCCCC2)C1,-1.4741698503494263
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)nn1,-0.9128657579421997
+Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1,-1.32430899143219
+COc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1,-0.9923268556594849
+Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.2597938776016235
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCSC2=O)cn1,-0.8658618927001953
+Cc1ccc([C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)cc1,-0.9640517830848694
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.2112443447113037
+C[C@](O)(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1,-1.57829749584198
+Clc1cccc(OCCNCc2ccccc2Cl)c1,-1.5552377700805664
+O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@H]1c1ccccc1,-0.8796770572662354
+O=C(Nc1ccccc1)C(=O)N1CCC(c2nccs2)CC1,-1.250556468963623
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)nc2O)cc1,-1.197161316871643
+O=C(Cc1ccccc1)Nc1ccc(Cl)cc1,-1.6484044790267944
+O=C(NCCCCc1ccc(O)cc1)[C@H]1C[C@H]1C1CCOCC1,-1.4674832820892334
+CCc1ccc(C(=O)N[C@@H]2CCOCC3(CCOCC3)C2)cc1,-1.5216572284698486
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.0254387855529785
+Clc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.1248688697814941
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0040233135223389
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.000336766242981
+Clc1ccc(CNc2ccc(-c3cccc(Cl)c3)cc2)cc1,-1.2191656827926636
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2ccccc2F)C1,-1.0770080089569092
+Cc1ccc(CNc2ccc(C)nc2-c2ccccc2)cc1,-1.1768529415130615
+COc1ccc(-c2nc3cccnc3n2Cc2ccccc2)cc1,-1.0423102378845215
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6734637022018433
+c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(N2CCOCC2)CC1,-1.0257391929626465
+Cc1ccc(NC(=O)N2CCC(c3ccccc3Cl)CC2)cc1,-1.0809153318405151
+OC(Cc1ccc(CNc2ccccc2)cc1)=NC1CCCC1,-1.515788197517395
+C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1094058752059937
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9162591099739075
+CC1CCCCN(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.3455924987792969
+C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-0.9832859039306641
+Cc1ccc(NCc2ccc(C3CCCCC3)cc2)cc1C,-1.240772008895874
+O=C(c1ccccn1)N1CCC(Nc2ccc(F)cc2Cl)CC1,-0.7895469665527344
+CC1CCCCN1C(=O)COCCOC(C)(C)C,-1.6758875846862793
+O=C(Nc1cccc(Cl)c1)N1CCOC[C@H]1c1ccccc1Cl,-0.9384446144104004
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nn2)c(N)c1,-0.8301813006401062
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.466327428817749
+CC(C)(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1,-1.4955562353134155
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1229146718978882
+CC[C@H](F)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1,-1.1028598546981812
+O=C(Cc1ccccc1)N[C@@H]1CCCN(c2ccccc2Cl)C1,-1.1976202726364136
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.296081304550171
+Cc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)s2)cc1,-0.8218887448310852
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.022217035293579
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1,-0.9996649026870728
+CN1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.4143306016921997
+CC(C)CC[NH+]1CCC(NC(=O)N2CCC(C)CC2)CC1,-1.2913885116577148
+CC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCO[C@@H](C)C2)cc1,-1.522564172744751
+Cc1ccc(-c2nc(NC(=O)c3cc(C)[nH]n3)cs2)cc1,-0.9461524486541748
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3F)cc2)cc1,-1.1010453701019287
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-0.9858002066612244
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9663529992103577
+C[C@@H]1CN(c2ccc(COc3ccccc3)cc2)C[C@@H](C)O1,-1.5133925676345825
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1265169382095337
+O=C1NCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.1136517524719238
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.056688904762268
+Cc1cccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)c1,-1.0133119821548462
+N#Cc1ccc(NCc2ccccc2N2CCOCC2)c(I)c1,-0.9808436036109924
+COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.469433069229126
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9435362815856934
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.152498483657837
+C[C@H]1CN(C(=O)c2ccccc2O)CC[NH+]1Cc1ccccc1,-1.187986969947815
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9476343989372253
+O=C(c1ccc(S(=O)(=O)P)cc1)N1CCN(c2ccccc2)CC1,-1.1379107236862183
+Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1N,-1.2322628498077393
+O=C1Cc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2N1,-1.5536707639694214
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820209503173828
+CC1(C)CC(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.5272362232208252
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1,-1.1415038108825684
+O=C(N[C@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl,-1.0076414346694946
+Cc1ccc(C(=O)Nc2noc(-c3ccc(Br)cc3)n2)o1,-1.0481560230255127
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.087683081626892
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1583876609802246
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9305200576782227
+CC(C)Cc1ccc(C(=O)OC2CCC(C)C(C)C2)cc1,-1.2550253868103027
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cncc(S)c1,-1.0966787338256836
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1325410604476929
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1031215190887451
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9879047274589539
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)ccc1Br,-0.9840109944343567
+O=C(NCc1ccccc1)C1CCCCN1C(O)=NC1CC1,-1.359637975692749
+Nc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(F)cc1,-1.0469189882278442
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(O)c1,-1.1558412313461304
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1O,-1.0597022771835327
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.8044705986976624
+C[C@H](CNC(=O)Cc1ccc(Br)cc1)Cc1ccccc1,-1.4711722135543823
+CN1CCCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.3543524742126465
+CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCS1,-1.446526050567627
+COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1269131898880005
+O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6856005191802979
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.1919798851013184
+CCc1ccc(NC(=O)c2ccc(OC)cc2N)cc1,-1.3377104997634888
+CC1CCCCC1NC(=O)c1ccc(N2CCN(C)CC2)cc1,-1.0318771600723267
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5830047130584717
+[NH3+]c1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0835142135620117
+C[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1Cl,-0.7802666425704956
+COc1ccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1,-1.1621721982955933
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.880860447883606
+Cc1csc(N2CCCC(NC(=O)c3cc(C)on3)C2)n1,-0.9498868584632874
+O=C(N[C@@H]1CCCC[C@@H]1c1cccc(F)c1)c1ccccc1O,-0.9901549220085144
+O=C(C[C@H]1CCCCO1)Nc1ccc(Br)cc1C(=O)[O-],-1.3208949565887451
+Cn1cc(CC(=O)N[C@@H]2CCO[C@@H]2C2CCCCC2)cn1,-1.4435653686523438
+O=C(C[NH+]1CCCC[C@@H]1c1ccccc1F)NC1CCCCC1,-1.2930506467819214
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-1.0631862878799438
+CC(C)(C)NC(=O)N1CCC(C#N)(c2ccccc2)C1,-1.468161702156067
+C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C1,-1.0262376070022583
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.0737489461898804
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0884677171707153
+CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.282904863357544
+O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-1.0739803314208984
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.1343679428100586
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1,-1.0924957990646362
+CC(C)[NH+]1CCC(NC(=O)CCc2ccc(F)cc2)CC1,-1.420718789100647
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6427700519561768
+Cc1csc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1,-0.9581040143966675
+[NH3+]c1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.1831023693084717
+Nc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccccc2)CC1,-1.0433565378189087
+Cc1ccc(-c2ccc(NCc3ccc(N)cc3)cc2)cc1,-1.316286563873291
+COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.4233057498931885
+O=C1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.3883970975875854
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2629098892211914
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0848857164382935
+Cc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1837788820266724
+O=C(O)CNC(=O)c1ccc(N2CCc3ccccc32)cc1,-1.1883649826049805
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1429134607315063
+Fc1ccc(CNc2ccccc2-c2ccc(Br)cc2)cc1,-1.1784448623657227
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.031748652458191
+c1ccc(C[NH+]2CCN3CC[NH+](Cc4ccccc4)CC3C2)cc1,-1.4180729389190674
+CCSc1nc(-c2ccc(Cl)cc2)n[nH]1,-1.1973457336425781
+C[C@@H]1CCC[NH+](CCNC(=O)CCc2ccc(Br)cc2)C1,-1.3615816831588745
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.230075478553772
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](O)C2)cc1,-1.5227885246276855
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8781693577766418
+O=C(C[NH+]1CCN(c2ccccc2)CC1)NC1CCCCCC1,-1.5022897720336914
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.2202738523483276
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.31430184841156
+Cc1ccc(NC(=O)NC2CCC3(CCOCC3)C2)nc1,-1.5418682098388672
+Fc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)cc1F,-1.3076571226119995
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5532651543617249
+Cc1cccc([C@H](C)CC(=O)NCc2cccc(Br)c2)c1,-1.270766019821167
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ncc1Br,-0.93031907081604
+Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)cn1,-1.3010245561599731
+Cc1ccc([C@@H](CO)NC(=O)c2ccc(O)cc2)cc1C,-1.2299582958221436
+O=C(Cc1cc2ccccc2o1)NCc1ccc(Cl)cc1,-1.354551911354065
+C[NH+]1CC[C@@H](C(=O)NCc2ccc3ccc(F)cc3c2)C1,-1.0862082242965698
+CC[NH+]1CCC(c2ccc(O)cc2)CC1,-1.7114628553390503
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3O)cc2)cc1,-1.1901565790176392
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9885973930358887
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.9015827775001526
+O=C(N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-1.2293858528137207
+O=C(OCc1ccc(Cl)cc1)[C@H]1CCC2(CCNCC2)C1,-1.4813511371612549
+C[C@H]1C[NH+](C)CC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1365164518356323
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9890321493148804
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1,-1.0166893005371094
+O=C(Nc1nc2c(s1)CCN(c1ccccc1)C2)c1cccs1,-0.7696606516838074
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CC[C@H]1CN1CCOCC1,-1.31278395652771
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccncc1Cl,-0.8271359205245972
+C#CCCCCCC(=O)N1CCN(c2ccc(OCC)cc2)CC1,-1.4644966125488281
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(F)c1F,-1.0408365726470947
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.3961622714996338
+CO[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(F)cc3)C2)C1,-1.0259697437286377
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1181308031082153
+O=C(Nc1ccc(Br)cc1F)c1cccc(N2CCCCC2)c1,-0.8682698607444763
+CC(=O)Nc1ccc(OCC2CCCCC2)cc1,-1.6842690706253052
+Fc1ccc(C2CC(NCc3ccc(Br)cc3)CCO2)cc1,-1.305953025817871
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.2266080379486084
+OC1(CNCCc2ccc(Br)cc2)CCCC1,-1.6295456886291504
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.9325512647628784
+Clc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.0031546354293823
+O=C(Cc1nc2ccccc2s1)NCc1ccc(Cl)cc1,-1.0254204273223877
+C[NH+]1CCC[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1,-1.39742112159729
+CC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1,-1.2514599561691284
+C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9924261569976807
+Cc1nc2cccc(C(=O)NC[C@H]3CCC[NH+](C)C3)c2[nH]1,-0.8985413312911987
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0237358808517456
+COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)cc1,-1.0807889699935913
+Cc1ccc(NC(=O)N2CCC(c3ccccc3Br)CC2)cc1,-1.0474212169647217
+[NH3+]c1cc(F)ccc1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1,-0.8816900253295898
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3N)CC2)cc1,-1.2181148529052734
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2068207263946533
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915124773979187
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6719740629196167
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3247753381729126
+Cc1ccc(C(C)N2CCN(C(=O)c3ccccn3)CC2)cc1,-1.034582257270813
+C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8271490335464478
+CCc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0057971477508545
+C[C@@H](O)C[NH+]1CCC(C)(NC(=O)c2ccc(Br)cc2)CC1,-1.2852251529693604
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1251616477966309
+COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0039340257644653
+Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c2c1,-1.0138273239135742
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.012816071510315
+Cc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1C,-1.0886250734329224
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0628234148025513
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124953269958496
+[NH3+]C[C@@H]1CCCCN1C(=O)C1CCN(c2cccc(F)c2)CC1,-0.900497555732727
+C[NH+]1CC[C@]2(CCN(C(=O)NCc3ccccc3O)C2)C1,-1.4968587160110474
+CC(C)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2)cc1,-1.3928546905517578
+CC1(C)CCN(C(=O)NCc2ccc(Br)o2)C1(C)C,-1.1423683166503906
+O=C1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.401484489440918
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.202769160270691
+C[NH+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1,-1.2288024425506592
+Cn1ccc(C(=O)NC2CCN(c3cccc(Cl)c3)C2)n1,-1.0098217725753784
+Cc1ccccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.1322206258773804
+O=C(NCc1nc2ccccc2o1)c1ccc(F)c(Cl)c1,-0.9083221554756165
+Cc1cccc([C@@H]2OCC[C@@H]2NC(=O)c2cnn(C)c2)c1,-1.2460952997207642
+[NH3+]c1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9582401514053345
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.993435263633728
+Cc1ccc(CNC(=O)c2n[nH]c3cc(Cl)ccc23)cc1,-0.9858852624893188
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.459878921508789
+O=C(c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.8606109619140625
+C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1,-1.3110272884368896
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)nc1,-0.7233708500862122
+CN1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1,-1.3482686281204224
+O=C(N[C@H]1CCC12CCCC2)c1ccc(-c2ccccc2)cc1,-1.3421822786331177
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N1CC[C@@H](O)C1,-1.224945306777954
+O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2F)CC1,-0.7533671855926514
+COc1ccc(C)cc1NCCOc1ccccc1,-1.6392015218734741
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.026436686515808
+O=C(c1ncccc1Cl)N1CCC(Cc2ccc(F)cc2)CC1,-0.8339268565177917
+O=C(NCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0081461668014526
+Cc1ccc(CCNC(=O)N2CCC3(CCCC3)C2)cn1,-1.489364743232727
+C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.206797480583191
+O=C(NC1CC(F)(F)C1)N1CCO[C@H](c2ccccc2)C1,-1.3549860715866089
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0488311052322388
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1368540525436401
+O=C(CC1CCC1)N1CCN(Cc2cccc(F)c2)CC1,-1.4649053812026978
+O=C(CC1CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3001445531845093
+Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0829637050628662
+Cc1ccc(NC(=O)C2CC[NH+](C3CCOCC3)CC2)c(C)c1,-1.1126644611358643
+Cc1nnc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)o1,-1.1742713451385498
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Br)n1,-0.8815978169441223
+CC(C)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.0914199352264404
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.1882398128509521
+O=C(NCCc1ccc(F)cc1F)c1ccc(Cl)c(Br)c1,-0.646812379360199
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0238114595413208
+N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1,-1.5150961875915527
+Cc1ccc(C(=O)C(=O)NCc2cccc(F)c2)cc1,-1.4193958044052124
+CC1(C)CC[C@H](C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C1,-1.5013881921768188
+O=C(NC[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc2ccccc2n1,-0.9143551588058472
+Cn1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1,-1.0711272954940796
+O=C(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1,-0.9898005723953247
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.5121347904205322
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8653587102890015
+O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.3758118152618408
+O=C(c1ccc2nc(Cl)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.3854091465473175
+Cc1cc(O)ccc1NC(=O)N1CCCC[C@H]1c1ccccc1,-1.130406141281128
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-1.0016670227050781
+O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.4131470322608948
+Fc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.3710672855377197
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(N)c1,-1.1026713848114014
+Cc1cc(C)c(-c2ccccc2)c(OCc2ccccc2)c1,-1.3358508348464966
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110972285270691
+Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[C@H]3O)CC2)cc1,-1.2238399982452393
+Nc1ccc(NC(=O)NCC2CCCCC2)cc1,-1.6439746618270874
+COc1ccccc1CNC(C)Cc1ccccc1,-1.6278281211853027
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.431018590927124
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)nc1,-0.9353078603744507
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)n1,-0.9208659529685974
+COc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.609832525253296
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848594069480896
+O=C(C[C@H]1CCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8631332516670227
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.0369750261306763
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.186703085899353
+Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)c(F)c1,-0.7927249073982239
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4245096445083618
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.212515115737915
+COc1ccc(CNC(=O)c2cc(C)ns2)cc1,-1.4888076782226562
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0118294954299927
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9700341820716858
+Cc1ccc2cc(C(=O)NCc3ccc(N)cc3)[nH]c2c1,-1.1326504945755005
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8821048736572266
+C[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1,-0.9355941414833069
+Nc1cccc(C(=O)Nc2cc(N3CCOCC3)ccc2F)c1,-1.0585713386535645
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8130940198898315
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.2938785552978516
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(N)n1,-0.8913882374763489
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0319020748138428
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.3026323318481445
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1038861274719238
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1,-1.5374367237091064
+O=C(c1csc(C2CCCC2)n1)N1CCC(n2cccn2)CC1,-0.8174847960472107
+Cc1ccc(C2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1,-0.8698285818099976
+Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.310716152191162
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0559195280075073
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2199550867080688
+C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1838001012802124
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.2883981466293335
+O=C(NC1CCCCC1)N1CC[C@H](c2c[nH]c3ccccc23)C1,-1.1498427391052246
+O=C(c1cc(Cl)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0868794918060303
+O=C(N[C@H]1CCC12CCOCC2)c1csnc1-c1ccccc1,-1.140783429145813
+CC(C)(N=C(O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1,-1.4173731803894043
+Cc1ccc(C)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1,-1.172927975654602
+Cc1noc(C2CCN(CCOc3ccc(F)cc3)CC2)n1,-1.1921674013137817
+C[C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.132240891456604
+O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.4729886054992676
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9044279456138611
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5281344652175903
+Clc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0118753910064697
+Nc1nc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9808409810066223
+CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1,-1.2688267230987549
+O=C(Nc1ccccc1F)N1CCC[C@H](c2cccc(F)c2)C1,-0.9500033259391785
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.207561731338501
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0300434827804565
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3201624155044556
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8234986662864685
+Cc1ccc(NC(=O)N2CC[NH2+]C[C@H]2c2ccccc2F)cc1,-1.116711139678955
+C[C@@](O)(CNC(=O)N1CCCCC1)Cc1ccc(F)cc1,-1.5515954494476318
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2327295541763306
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5946393013000488
+Cc1ccc(C(=O)NC2CCN(C3CCCCC3O)CC2)cc1,-1.2551921606063843
+O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.343302845954895
+CCOc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.4889335632324219
+Cc1ccc(N2CCN(C(=O)c3cccc4ccc(C)nc34)CC2)cc1,-0.5619359016418457
+Cn1ccc(C(=O)NCCOC2CCCCC2)c1,-1.6828685998916626
+Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1,-1.3649969100952148
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@H]2C1,-0.8055733442306519
+O=C(COC1CCCCC1)NCC1CCOCC1,-1.7228293418884277
+CC[C@@H](O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4638384580612183
+CC[C@H]1CCCCN1C(=O)C(=O)Nc1nc2ccccc2s1,-0.8614181876182556
+CCOc1ccc(CC(=O)N2CCN(CC)CC2)cc1,-1.6166073083877563
+Fc1ccc(CNC2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0419992208480835
+O=C(NC1CCN(c2ccccc2)CC1)C1CC2(CC2)C1,-1.4510116577148438
+C[C@H]1CC[NH+](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.1317118406295776
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199501514434814
+Cc1cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)no1,-1.2893933057785034
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1371362209320068
+CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.359302282333374
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1O,-1.038590669631958
+Cc1ccc(N2CC[C@H](NC(=O)C3CCOCC3)C2=O)cc1,-1.2158429622650146
+C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccc(N3CCOCC3)cc2)C1,-1.1185988187789917
+O=C1C[C@@H](NC(=O)N2CCC(c3ccccc3)CC2)CCN1,-1.3062392473220825
+Cc1csc(C(=O)N2CCC(C)(Oc3ccccc3)C2)n1,-1.4361493587493896
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1565217971801758
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3433805704116821
+Cc1ccc(C(=O)Nc2nc(C3CC[NH+](C)CC3)cs2)o1,-1.0231132507324219
+O=C(c1ccccc1Cl)N1CCCC(Cc2ccc(Cl)cc2)C1,-0.9650691747665405
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9759526252746582
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.2120327949523926
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9019256830215454
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9666891694068909
+CCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2)CC1,-1.4799261093139648
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.4214534759521484
+Cc1ccc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)cc1,-1.5029058456420898
+c1ccc(Cc2nc(-c3ccc(C4CCCCC4)cc3)no2)cc1,-1.1770963668823242
+COc1ccc(CN2CCN(C(=O)C(C)(C)N)CC2)cc1,-1.3083930015563965
+Cc1cc(C2CCOCC2)ccc1NC(=O)c1ccc(F)cc1,-1.0505876541137695
+Cc1ccc(CC(=O)NC2CC[NH+](C[C@@H](C)O)CC2)cc1,-1.5358778238296509
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)c1,-1.2084016799926758
+O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2sccc2C1,-1.0763368606567383
+CC(C)c1ccc(C(=O)N2CCCN(c3ccccc3)CC2)o1,-1.1983555555343628
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846179723739624
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[C@H]1O,-1.0443542003631592
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2778587341308594
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2618482112884521
+O=C(Nc1ccccc1)OCc1ccc(Cl)cc1,-1.6379039287567139
+c1ccc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1,-1.1939514875411987
+O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccccc2F)cc1,-0.8515607714653015
+O=C(Cc1ccc(I)cc1)NCC(=O)C1CCCCC1,-1.4212307929992676
+O=C(NCc1ccc2nc(O)oc2c1)c1ccc(F)cc1,-1.141619086265564
+O=C(c1ccccc1O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0749845504760742
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0266199111938477
+Cc1ccc(NC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1250388622283936
+Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccn2)CC1,-0.9702819585800171
+C[NH+]1CCN(Cc2ccccc2)[C@H](Cc2cccc(Cl)c2)C1,-1.438637614250183
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3284653425216675
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437071681022644
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(N)cc2)cc1,-1.4908145666122437
+Cc1ccc(OCc2nc(-c3cc(Br)ccc3F)no2)cc1,-0.9504491686820984
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.3291181325912476
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5586878061294556
+Cc1cc(NCc2ncnn2-c2ccccc2)c(O)cc1F,-0.8584673404693604
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.8965017795562744
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8880830407142639
+Cc1ccc(CNc2ccc(N3CCC(O)CC3)cc2)cc1,-1.416641116142273
+NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1,-1.5827279090881348
+Nc1ccc(C(=O)NC[C@@H](O)Cc2cccc(I)c2)cc1,-1.2589612007141113
+CC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.4760335683822632
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124972343444824
+O=C([C@H]1CCC(F)(F)C1)N1CCC[C@@H]1Cc1ccccc1,-1.206017017364502
+C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4584652185440063
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1907719373703003
+Cc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(C)c2)cc1,-1.1602892875671387
+Cc1ccc2cc(C(=O)NCc3ccc(Br)cc3)oc2c1,-1.0849392414093018
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6010687351226807
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.19878351688385
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9672442674636841
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2F)CC1,-0.9842748045921326
+C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1,-1.1373600959777832
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0463433265686035
+C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(N)cc2)cc1,-1.1873321533203125
+CCCCC(=O)N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.4070892333984375
+CC(C)C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1,-0.7325019240379333
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.0410975217819214
+N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1,-1.4123573303222656
+O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.512560486793518
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.232460856437683
+O=C(c1ccccc1Cl)N1CCC[C@H](Cc2ccc(O)cc2)C1,-1.16022527217865
+C[C@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.18110191822052
+C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[NH+]1CCOCC1,-1.0931271314620972
+C[C@H]1CCCCN1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-0.9883684515953064
+C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3F)cc2)CC1,-1.0507638454437256
+CC[C@H]1CCC[NH+](CC(=O)NCC2CCCC2)C1,-1.7037696838378906
+CC1CCN(CC2CCCCN2C(=O)c2ccccc2O)CC1,-1.2069294452667236
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.2725746631622314
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-1.0385335683822632
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.1144145727157593
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)CCO1,-1.1053825616836548
+O=C(NC1CCCCC1)N1CCCN(c2ccc(Cl)cc2)CC1,-1.2234976291656494
+NS(=O)(=O)c1ccccc1CNCc1cccc(Br)c1,-1.3783587217330933
+O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-1.0209577083587646
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9435394406318665
+O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCN2,-1.033704400062561
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5480073690414429
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)cc1,-0.9275374412536621
+CC(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1,-1.5174354314804077
+O=C(O)c1ccc(OCC(=O)N2CCC(O)CC2)cc1,-1.6044998168945312
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9816396236419678
+O=C(c1ccccc1O)N1CCC[C@H](Oc2ccc(F)cc2)C1,-1.3114237785339355
+Cc1ccc2nc(CNC(=O)c3ccc(N)cc3)[nH]c2c1,-0.960284948348999
+C[C@@]1(c2ccccc2)C[C@@H](NC(=O)Cc2ccccc2)CCO1,-1.5524702072143555
+O=C(Cc1ccc(F)c(F)c1)Nc1ccc2ccc(=O)oc2c1,-0.9136807322502136
+C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3422380685806274
+Cc1ccc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc1,-1.4204367399215698
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(C)cc2)C1,-1.4947195053100586
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.477543592453003
+C[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1,-1.0584120750427246
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3828670978546143
+COc1ccc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)cc1,-0.9955723881721497
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.145233154296875
+O=C(CC1CC[NH2+]CC1)Nc1ccc(N2CCCC2=O)cc1,-1.5261332988739014
+COC(=O)c1cccc(OCC(=O)N2CCCC2)c1,-1.6229451894760132
+Cc1nc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)c[nH]1,-0.9446083307266235
+Cc1cccc(NC(=O)N2CCC(N3CCCC3=O)CC2)c1,-1.1575671434402466
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.5120418071746826
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4830318689346313
+Cc1cc(NC(=O)[C@H]2CCN(c3cccc(F)c3)C2)no1,-1.1524330377578735
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0559115409851074
+CC(C)(C(=O)NCCc1ccccc1)c1ccc(F)cc1,-1.486649751663208
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.150172233581543
+O=C(Cc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1,-1.4853320121765137
+Cc1ccc(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)cn1,-1.605804681777954
+Cc1ccc(NCc2cccc(-c3ccc(I)cc3)c2)cc1,-1.3064919710159302
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4308109283447266
+CN1CCN(Cc2ccccc2)C1=O,-1.7659616470336914
+CCc1cc(C)ccc1NC(=O)c1cc(F)c(Br)cc1F,-0.48550450801849365
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3578358888626099
+O=C1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.2916343212127686
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0747283697128296
+C[NH+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])c2ccc(Br)cc2)C1,-1.2251744270324707
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)N1CCOCC1,-0.955392062664032
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2058651447296143
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3[O-])CC2)cc1,-1.136319637298584
+C[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4791545867919922
+CN1CCN(c2ccc(OCc3ccc(Br)cc3)cc2)CC1,-1.2295887470245361
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(F)c(O)c1,-1.051924228668213
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.311385989189148
+O=C(CCc1ccc(Br)cc1)Nc1ccc(-c2nnco2)cc1,-1.198743224143982
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)CC1)c1ccccc1,-1.254340410232544
+Cn1ccc(C(=O)Nc2ccc(F)cc2-n2cccn2)n1,-1.1098132133483887
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(O)nc1O,-1.130350112915039
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1912617683410645
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.220435380935669
+CC1(C)CC(NC(=O)c2ccccc2-c2ccccc2)C1,-1.4087740182876587
+Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(Cl)cc3)C2)n[nH]1,-1.1077214479446411
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.0110094547271729
+O=C(N[C@H]1CCCC[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O,-1.0966356992721558
+C[NH+]1CC[C@H](NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)C1,-1.2051492929458618
+C[C@H]1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.367951512336731
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Br)c1,-1.424519658088684
+Cc1ccc(O)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.217497706413269
+CN1CC[NH+](C2CCN(C(=O)Nc3ccccc3Cl)CC2)CC1,-0.9299401640892029
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3152656555175781
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2788708209991455
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.36815786361694336
+O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1,-1.2889999151229858
+Cc1ccc(-c2ccc(OCc3ccc(Br)cc3)cc2)cc1,-1.4113980531692505
+c1ccc(-c2ccc(CNc3ccc4ccccc4n3)cc2)cc1,-1.1118175983428955
+O=S(=O)(c1ccccc1N=C(O)Cc1ccc(F)cc1)N1CCNCC1,-1.008731484413147
+Oc1cc(-c2ccccc2)cc(OCc2ccccc2)c1O,-1.4133975505828857
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,-0.8236508369445801
+C[NH+]1CCC(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1,-0.9317253232002258
+Nc1cccc(CCN=C(O)CNC(=O)c2ccccc2)c1,-1.5181679725646973
+Cn1ccc(CNC(=O)CCCCc2ccc(Br)cc2)n1,-1.4120064973831177
+Cc1ccc(N2CCN(C(=O)Nc3ncccc3Cl)CC2)cc1,-0.8631711602210999
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(I)cc2)CC1,-0.9647464752197266
+Cc1cc(F)ccc1N1CCC[C@H](C(=O)NC2CCCCC2)C1,-0.8973639607429504
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.125213861465454
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(Br)cc1,-1.0543944835662842
+CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1,-0.8876726031303406
+Cc1ccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)cc1,-1.1497504711151123
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1,-1.2199629545211792
+C[C@H](NC(=O)N1CCC(S(C)(=O)=O)CC1)c1ccccc1,-1.4444987773895264
+O=C(NC(c1ccccc1)C(F)(F)F)c1ccc(F)cc1,-1.1230007410049438
+Cc1ccc(CC[C@@H](N)C(=O)OCc2ccccc2)cc1,-1.564745545387268
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)on1,-1.1260621547698975
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1Cl,-1.006084680557251
+Cc1ccc(CC(=O)N[C@H]2CCN(c3ccccc3)C2)s1,-1.3899821043014526
+CC1CCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)CC1,-1.3501572608947754
+O=C(Nc1ccc(CCCO)cc1)NC1CCCCC1,-1.618037462234497
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.0600318908691406
+CC(C)Cc1ccc(C(=O)NC2CC3(CCCC3)C2)cc1,-1.4913049936294556
+O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3023983240127563
+Nc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2403925657272339
+O=C(c1ccc(O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.6172357797622681
+Cc1cccc(C(=O)NC2CCN(c3ccccc3Br)CC2)c1,-0.9481873512268066
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0084598064422607
+CN(C)c1ccc(C(=O)NCc2nccs2)cc1,-1.3588978052139282
+C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4283803701400757
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8473173975944519
+O=C1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,-0.8509132862091064
+O=C1CCCCN1c1ccccc1,-1.8193655014038086
+O=C1CN(c2ccc(NC(=O)C3CCCCC3)cc2)CCN1,-1.2730125188827515
+CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1,-0.9037750959396362
+O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1C[C@@H]1C1CCOCC1,-1.205112338066101
+Nc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9464339017868042
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0470510721206665
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0756391286849976
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1243925094604492
+CN1CCC(NC(=O)c2ccc(-c3ccccc3Br)cc2)CC1,-1.023116111755371
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2102607488632202
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1csc(-c2ccccc2)n1,-1.0496243238449097
+CC(C)(C)C1CC(NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1,-1.0930575132369995
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.14117431640625
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0492703914642334
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0061964988708496
+O=C(Nc1cnn(C2CCCCC2)c1)c1ccc2[nH]ncc2c1,-1.0753142833709717
+Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1F,-1.0733784437179565
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2387452125549316
+Oc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2669556140899658
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2C)cn1,-1.1627401113510132
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9329435229301453
+O=C(C[NH+]1CCC[C@@H]2CCC[C@H]21)NCc1ccc(Cl)cc1,-1.1491047143936157
+C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)CO1,-1.4036716222763062
+COc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCC2,-1.0331271886825562
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.1757054328918457
+Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1,-0.9335251450538635
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.5271908044815063
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.1023350954055786
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8398802280426025
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1cccc(F)c1,-1.0330696105957031
+Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.1563355922698975
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8774994015693665
+C[NH+]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)C1,-1.131112813949585
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3861976861953735
+CC(C)OCCNc1ccc(C(C)(C)C)cc1,-1.6818817853927612
+COC1CCC(Cn2c(C)nnc2-c2ccc(S)cc2)CC1,-0.8675003051757812
+CC(C)CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1,-1.0835528373718262
+Cc1cc(C(=O)N[C@@H]2CC[NH+](CCC(F)(F)F)C2)c(C)o1,-1.0228941440582275
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9655357599258423
+CCOC(=O)CCC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.381690502166748
+Cc1nc2cc(CNC(=O)c3ccc(N)cc3)ccc2o1,-1.107546329498291
+O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H](CO)c1ccccc1,-1.1648832559585571
+O=C(Cn1c(O)nc2ccccc21)NCC1CCCCC1,-1.2513716220855713
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1,-0.8347740173339844
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1756055355072021
+O=C(Nc1ccc(F)cc1O)N1CCC[C@H](c2ccccc2)C1,-1.0871036052703857
+N#CCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6499007940292358
+Nc1ccc(CNC(=O)c2cc3ccc(Br)cc3o2)cn1,-1.0478383302688599
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCOCC2)cc1,-1.5972506999969482
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.023632526397705
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9751758575439453
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1199069023132324
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0684425830841064
+Cc1cc(C)n(-c2ccc(NC(=O)c3cccs3)cc2)n1,-1.0947922468185425
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Br)c1,-1.0083242654800415
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.134068489074707
+Cc1ccn2cc(CNC(=O)c3ccc(Cl)cc3)[nH+]c2c1,-1.096137523651123
+O=C([C@H]1CCCCCC[NH+]1Cc1ccc(F)cc1)N1CCCC1,-1.2312252521514893
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.2770112752914429
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(I)cc1,-0.9104489088058472
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8943997621536255
+O=C(c1ccccc1F)N1CCC[C@@H](Cc2ccc(Cl)cc2)C1,-1.0259590148925781
+COc1ccc(C(=O)N2CCC(c3ccc(I)cc3)CC2)cc1,-0.931540846824646
+O=C(NC[C@H]1CCCCO1)Nc1ccc(Br)cc1,-1.6078611612319946
+CCNc1ccc(NC(=O)c2cc(N)no2)cc1,-1.6271437406539917
+O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5195465087890625
+Cc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1C,-1.3205351829528809
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(O)cc1Cl,-0.9525409936904907
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(O)nc1,-1.052660346031189
+C[NH+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6440153121948242
+O=C(N[C@@H]1CCN(c2cccc(F)c2)C1)[C@H]1CC[C@@H](F)C1,-1.0281864404678345
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1211414337158203
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.238447666168213
+Cc1ccc(N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)cc1,-1.0176146030426025
+O=C1Cc2cc(C(=O)N3CCC(N4CCCC4=O)CC3)ccc2N1,-0.7403287887573242
+C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2Br)CC1,-0.8472985029220581
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700088739395142
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1O,-0.6444873213768005
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1N1CCOCC1,-0.8857529163360596
+O=C(NC1CCCCC1)N1CCN(c2ccc(O)cc2Br)CC1,-0.9856985807418823
+N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1,-1.5253289937973022
+Cc1cccc(CNC(=O)N2CCc3cnn(C)c3C2)c1,-0.9674323201179504
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.203377366065979
+O=CN1CCN(c2ccc(Cl)cc2)CC1,-1.6516859531402588
+C[C@@H]1CCCCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)C1,-1.258529543876648
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6108832359313965
+O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,-1.406823754310608
+C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)nc1,-0.9001815915107727
+Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3N)CC2)cc1,-1.1236313581466675
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1214439868927002
+Cc1ccc(CSc2nnc(C)n2-c2ccccc2)c(Cl)c1,-0.6698342561721802
+Cn1cc(C2CCN(C(=O)N[C@H]3CC34CCC4)CC2)cn1,-1.0700114965438843
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0294381380081177
+O=C(CCc1ccccc1)Nc1ccccc1-c1ccccc1,-1.5615954399108887
+C[C@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.0689399242401123
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4261155128479004
+CC(C)([NH3+])CC(=O)Nc1ccc(Cc2ccccc2)cc1,-1.562893271446228
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1747950315475464
+CC[NH+]1CCN(C(=O)N2CCN(c3cccc(C)c3)CC2)CC1,-1.1920887231826782
+C[C@@H]1CN(C(=O)CNC(=O)c2ccc(I)cc2)CCS1,-1.018825888633728
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9514488577842712
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2119837999343872
+O=C1CCc2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc2N1,-0.8331556916236877
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056726336479187
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.4965159893035889
+Cc1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1,-1.0056657791137695
+CC(C)c1nc(C[NH+]2CCN(c3cccc(F)c3)CC2)no1,-0.9462723731994629
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2cccc(F)c2)CC1,-0.8297777771949768
+Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cn1,-1.3000133037567139
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5764822959899902
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.031065821647644
+Cc1cccc(CNC(=O)N2CCC3(CCOCC3)C2)c1,-1.5690207481384277
+CC1(CNC(=O)NC2CCOCC2)CCOCC1,-1.7278088331222534
+COc1ccc(CNC(=O)[C@@H]2CCCCC[C@H]2[NH3+])cc1,-1.5225211381912231
+CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.594505786895752
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-1.0501419305801392
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084670066833496
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9084123969078064
+Nc1ccnc(N2CCC(COc3ccc(Cl)cc3)CC2)n1,-0.9799903035163879
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1781569719314575
+CN1C(=O)C(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc21,-0.8048306107521057
+O=C(c1cccc(Cl)c1)N1CCN(CCN2CCOCC2)CC1,-1.2454878091812134
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0833935737609863
+O=C(NCc1cc2ccccc2o1)c1ccc(F)c(F)c1,-1.1819802522659302
+CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(I)cc2)CC1,-1.076850175857544
+O=C(Nc1cnnn1-c1ccccc1)c1cc2ccccc2[nH]1,-1.0488539934158325
+O=C(c1ccc(Br)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1671950817108154
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1,-0.977946937084198
+Cn1ncnc1CNC(=O)Nc1ccc(Br)cc1,-1.2152881622314453
+Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1282557249069214
+Nc1cccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)c1,-0.9128909111022949
+O=C(Nc1ccc(F)cc1O)c1ccc(N2CCOCC2)cc1,-1.1389825344085693
+NC1CCCCC1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0022541284561157
+O=C(CCCc1ccc(O)cc1)NCc1ccc(Br)cc1,-1.4643093347549438
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.1596208810806274
+OCc1ccccc1,-2.0822067260742188
+O=C(Nc1ccc2[nH]ccc2c1)N1CCC([NH+]2CCCC2)CC1,-1.1045112609863281
+Cc1noc(C2CCN(C(=O)NCCC(C)(C)O)CC2)n1,-1.266984462738037
+CC1CC(CNC(=O)c2cc3ccccc3[nH]2)CC(C)O1,-1.281457781791687
+Cc1ccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)cc1,-1.2638622522354126
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.9703837633132935
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1746011972427368
+C[NH+]1CCC[C@H](C(=O)NC[C@H](O)c2ccc(F)c(F)c2)C1,-0.9508622884750366
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9813954830169678
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2863341569900513
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1465270519256592
+Cc1ccccc1NC(=O)C[NH+]1CCC[C@@H](c2ccccc2)C1,-1.3798234462738037
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2080885171890259
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9632248282432556
+Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1,-0.9674103260040283
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.124709963798523
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.086441993713379
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8732516765594482
+CC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1,-1.4522615671157837
+CC(C)(C)C(=O)NC1CN(Cc2ccc(F)cc2)C1,-1.3572824001312256
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8762107491493225
+Cc1ccccc1C(=O)N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1,-1.0702788829803467
+CC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1,-0.8384191393852234
+CCN1CCN(c2cccc(CNC(C)C)c2)CC1,-1.486068844795227
+CC(C)CN=C(O)CCNCc1ccc(N2CCOCC2)cc1,-1.4967035055160522
+O=C(N[C@@H]1CCCO[C@H](c2ccc(F)cc2)C1)c1ccccc1,-1.4950239658355713
+Nc1cc(F)ccc1NC(=O)N1CCN(C2CCCCC2)CC1,-0.9451062083244324
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1439863443374634
+O=C(C1CCCCCC1)N1CCC(Oc2ccc(Br)cc2)CC1,-1.20497727394104
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6179087162017822
+Cc1ccc(CNC(=O)NC2CCOCC2)cc1,-1.6781753301620483
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.085957646369934
+O=C(C[NH+]1CCC[C@H]2CCC[C@@H]21)NCc1cccc(F)c1,-1.2221640348434448
+C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8880709409713745
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.204390287399292
+O=C(N[C@H]1CCN(c2cccc(F)c2)C1=O)C1CCCCC1,-1.115178108215332
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Br)c(Cl)c2)CC1,-0.513089120388031
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.1137374639511108
+Nc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2F)cc1,-0.9746444821357727
+O=C(O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-1.071708083152771
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826543688774109
+C[C@H](C[C@H]1CCCCO1)NC(=O)CCc1ccc(Br)cc1,-1.511553168296814
+C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1,-1.3184454441070557
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8472446799278259
+O=C(Nc1ccccc1Cl)c1ccc(N2CCC(O)CC2)cc1,-1.0419540405273438
+CN1CC[C@@H]([NH+]2CCN(C(=O)NC(C)(C)C)CC2)C1=O,-1.036928653717041
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8231543898582458
+N#Cc1ccc(NCc2ccc(-c3ccccc3Br)cc2)cc1,-1.076596736907959
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.4885978698730469
+O=C(c1ccccc1Cl)N1CCN(Cc2cccc(F)c2)CC1,-0.9437580108642578
+O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(Br)cc1,-1.391155481338501
+CCC(O)=NCc1ccccc1OCc1ccc(C)cc1,-1.586773157119751
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1,-1.2029657363891602
+Oc1cccc(NCc2ccc(-c3ccc(F)cc3)cc2)c1,-1.4858800172805786
+Cc1c(F)cccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9801050424575806
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.6227121353149414
+CC[NH+]1CCCC[C@H]1CNC(=O)c1cc(Cl)on1,-1.3198745250701904
+O=C(N[C@H]1CCCO[C@H]1c1ccc(Br)cc1)c1ccccc1Cl,-0.9877849817276001
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(I)cc1,-1.3830578327178955
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)cc1,-1.1811987161636353
+Cc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.5231944918632507
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210160374641418
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.1587480306625366
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2167454957962036
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2101422548294067
+C[NH+]1CCN(C(=O)CCC(=O)NCc2ccccc2F)CC1,-1.4294819831848145
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0782350301742554
+CC1([NH3+])CCN(C(=O)Nc2ccc(-c3cccs3)cc2)C1,-1.3407719135284424
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.8777764439582825
+Clc1ccc(COC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1204346418380737
+CCc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1,-1.1484607458114624
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4306049346923828
+O=C(Cc1ccc(F)cc1F)NCCc1ccc(Br)cc1,-1.0038684606552124
+[NH3+][C@@H](CC(=O)NCc1ccc(F)cc1)c1cccc(Br)c1,-1.141202449798584
+COc1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1,-1.5400508642196655
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8961109519004822
+O[C@H]1C[C@@H](CC[NH+]2CCOCC2)N(Cc2ccc(Br)cc2)C1,-1.412023901939392
+CC(C)C(=O)N1CC[C@@H](Oc2ccc(C(=O)[O-])cc2)C1,-1.3775384426116943
+C[NH+]1CCC[C@H]([NH+]2CC(NC(=O)c3ccc(F)cc3)C2)C1,-1.0867538452148438
+Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,-0.8413717746734619
+O=C(Cc1ccccc1)N1CCN(Cc2ccc(O)cc2)CC1,-1.4857741594314575
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2271857261657715
+C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(Cl)cc1,-1.033199667930603
+O=C(Cc1ccccc1)c1ccccc1OCc1ccccc1,-1.5255249738693237
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9415443539619446
+Cc1nc2ccc(CNC(=O)[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9689365029335022
+Cc1ccc(-c2cc(Br)cnc2NCc2ccccc2)cc1,-0.9920797348022461
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-1.0825636386871338
+Fc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1754106283187866
+O=C(c1ccc2ccc(F)cc2c1)N1CCC(c2ccc(O)cc2)CC1,-0.7701741456985474
+O=C(Nc1ccc(F)nc1)c1ccc(N2CCCC2=O)cc1,-1.051367163658142
+Nc1cc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1457077264785767
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1,-1.056855320930481
+CS(=O)(=O)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1,-1.072182297706604
+Oc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.4525197744369507
+Cc1ccc(-c2ccc(COc3ccc(Cl)cc3)cc2)cc1,-1.282858967781067
+O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@](O)(Cc2ccccc2)C1,-1.4334427118301392
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9709150791168213
+O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0411186218261719
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0357133150100708
+Cc1ccc(-c2nnc(CNc3cccc(Cl)c3)n2C)cc1,-0.776662290096283
+Cc1cccc(NCC2CCN(c3ccccc3)CC2C)c1,-1.2531558275222778
+COCc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)cc1,-1.6154143810272217
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)n1,-0.8106937408447266
+Cc1cc(C(=O)NC2CCCC2c2ccc(Cl)cc2)n[nH]1,-1.00168776512146
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.5544370412826538
+O=C([C@@H]1CC=CCC1)N1CCC(Cc2ccc(F)cc2)CC1,-1.298734188079834
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9643418192863464
+Cc1nc(CC(=O)NCCCCc2ccc(Br)cc2)cs1,-1.227644681930542
+Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.4437403678894043
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.042814016342163
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1270718574523926
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1890671253204346
+O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0926814079284668
+C[C@H]1CN(C(=O)Nc2ccccc2F)CC[NH+]1C1CCCCC1,-0.955463171005249
+CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2159626483917236
+O=C(c1ccc2cc(F)ccc2n1)N1CCC[C@H](c2ccc(F)cc2)C1,-0.4619557559490204
+CCc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1993943452835083
+Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9861736297607422
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-0.9442886710166931
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.1970676183700562
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1915080547332764
+C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCc4ccccc43)cc2)CC1,-0.9250231385231018
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)n1,-0.9552049040794373
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5282248258590698
+NC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1,-1.3019965887069702
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.2933306694030762
+O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364688634872437
+O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccccc2)C1,-1.1479549407958984
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1316622495651245
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1137120723724365
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8643555045127869
+Cc1ccc(C(=O)NCC[NH+]2CCc3ccccc3C2)c(C)c1,-1.143195629119873
+O=C(NCc1ccc(F)cc1)c1ccc2nc(O)[nH]c2c1,-1.1718322038650513
+O=C(NC1CC(F)(F)C1)C1CC[NH+](C2CCCCC2)CC1,-1.0827560424804688
+N#Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1,-1.3343604803085327
+O=C(c1cccs1)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1,-1.1044410467147827
+COc1ccc(CC(=O)N[C@@H]2CC(=O)C(C)(C)C2)cc1,-1.516243577003479
+CC1(C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2)CCO1,-1.5194522142410278
+Cn1cc(NCCc2ccc(Br)cc2)c(-c2ccccc2)n1,-1.0858039855957031
+O[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccc(Br)cc3)CC2)C1,-1.1455845832824707
+O=C(C1CC(c2ccccc2)C1)N1CCN(c2nccs2)CC1,-0.9969568252563477
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.7991471886634827
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.349708080291748
+CC(C)(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1,-0.8107094168663025
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140257120132446
+Nc1ccc(CNC(=O)Cn2cnc3ccccc32)cc1,-1.4248806238174438
+Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)o1,-1.0369362831115723
+O=C(N[C@@H]1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1O,-1.1725988388061523
+O=C(Nc1ccc(I)cc1)N1CCN(c2ccccc2Cl)CC1,-0.804540753364563
+O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H]2CCCC[C@@H]21,-0.7919631600379944
+NC(=O)c1ccc(CNCc2ccccc2)cc1,-1.654509425163269
+Cc1ccc(NC(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1,-1.3196924924850464
+O=C(CC[NH+]1CCOCC1)Nc1ccc(N2CCCCC2)cc1,-1.5165194272994995
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2395620346069336
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4260202646255493
+COc1ccc(C(=O)NCc2nnc(C)s2)cc1,-1.2478315830230713
+c1ccc(-c2cc(CN3CCN(c4ccccc4)CC3)on2)cc1,-1.3560255765914917
+CCC[NH+]1CCN(C(=O)NCc2ccccc2F)CC1,-1.5372847318649292
+O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0288387537002563
+O=C(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1,-0.9894669651985168
+O=C(c1ccc(O)cn1)C1CCN(Cc2ccccc2F)CC1,-0.9968539476394653
+CC(C)C(=O)N1CCC[C@@H](Cc2ccc(-c3nn[n-]n3)cc2)C1,-0.7995554804801941
+Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(F)c1,-1.0512720346450806
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[C@@H]1C1CCCCC1,-0.9866161346435547
+Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)c(F)c1,-0.9677172303199768
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(O)n1,-1.0287121534347534
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.047937273979187
+O=C(Cc1ccccc1F)N[C@@H]1CCCN(c2ccccc2)C1,-1.2749937772750854
+O=C(C1CCOCC1)N1CCN(Cc2ccc(Cl)cc2F)CC1,-0.921105682849884
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.123862624168396
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4801825284957886
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577770709991455
+O=C(Cc1ccn[nH]1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.2249879837036133
+CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2O)cc1,-1.5064564943313599
+Cc1cc(F)ccc1C(=O)Nc1ncccc1-c1ccccc1,-0.9395496845245361
+O=C(NCc1ccc(F)cc1)C(=O)c1ccc(F)cc1,-1.3261089324951172
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Br)cc2)CC1,-1.0696195363998413
+O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1228001117706299
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0397436618804932
+CN=C(O)[C@H]1CCCCN1Cc1ccccc1,-1.6636512279510498
+CC1(NC(=O)c2ccco2)CCN(c2ccc(Cl)cc2)C1,-1.4631825685501099
+Cc1cc(C(=O)N2CCC(Nc3ccn(C)n3)CC2)cs1,-1.0316258668899536
+C[C@H]1C[NH+](Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.5398725271224976
+O=C(Cc1ccccc1)NCC(=O)c1ccc(Br)cc1,-1.532157063484192
+Cc1ccc(CNC(=O)C(=O)c2ccc(F)cc2)cc1,-1.5576704740524292
+O=C(NC1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.277030348777771
+C[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)C1,-0.8164072632789612
+CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1555906534194946
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133183240890503
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.5283163785934448
+Cc1ccc(NC(=O)CCOc2ccc(Br)cc2)c(C)c1,-1.3086904287338257
+CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5803028345108032
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9796537756919861
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0062671899795532
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(I)cc1,-1.245133399963379
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.1993638277053833
+Cc1ccc(C(=O)NCCC[NH+]2Cc3ccccc3C2)c(Cl)c1,-0.9765520095825195
+CC(C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1,-1.5165011882781982
+Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1,-0.9936860799789429
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC(c2ccc(Br)cc2)CC1,-0.9089370369911194
+C[C@H]1C[C@H](NC(=O)CCCCc2ccc(Br)cc2)CCO1,-1.4751263856887817
+C[NH+]1CC[C@@H](C(=O)Nc2ccnn2-c2cccc(F)c2)C1,-1.154707908630371
+CC1CCCCC1NC1CCN(C(=O)c2cccc(Cl)c2)CC1,-0.866427481174469
+Fc1ccc(COc2ccc(Br)cc2)c(F)c1,-1.3220036029815674
+Cc1ccc(C(C)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1499024629592896
+Cc1cc(Br)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-0.9442420601844788
+Cn1nnc2ccc(C(=O)NCc3ccc(F)cc3)cc21,-0.8985430598258972
+Cc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1Cl,-0.9332404732704163
+c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1,-1.2766857147216797
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.3665761947631836
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.512283444404602
+Cc1ccc2c(c1)CN(C(=O)NCc1ccc(C)s1)CC2,-0.9841329455375671
+Cc1ccc2c(N)sc(C(=O)NCc3ccccc3)c2c1,-1.0711501836776733
+O=C(CCc1ccccc1)N1CC[NH+](CC2CCOCC2)CC1,-1.5263890027999878
+CCN1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1,-0.5225322246551514
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.507649540901184
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.472966194152832
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.207973599433899
+CC[C@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-0.9944360256195068
+Fc1ccc2ccc(NCCOc3ccc(Cl)cc3)cc2c1,-1.2532387971878052
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4979296922683716
+CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1,-1.4875962734222412
+C[NH+]1CCC([NH2+]C[C@@H]2CCCN(c3ccc(Cl)cc3)C2)CC1,-1.181735873222351
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0269250869750977
+CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1,-1.545387625694275
+O=C(NCC[NH+]1CC2(CCOCC2)C1)c1cccc(F)c1,-1.5544259548187256
+Fc1ccc(CNc2ccc(-c3cccc(F)c3)nn2)cc1,-0.9945080876350403
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.5495940446853638
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2o1,-1.0211195945739746
+C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+](C)C2)CC[C@H]1c1ccccc1,-1.0574897527694702
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.9099556803703308
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-0.9835326671600342
+O=C(Nc1ccc(Br)cn1)N1CCN(c2ccc(F)cc2)CC1,-0.833134114742279
+CN(CC(=O)N1CCOCC1)C(=O)CCCc1ccccc1,-1.562568187713623
+C[NH+]1CCCN(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC1,-1.24837327003479
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700104236602783
+CC(=O)C(=O)Nc1cccc(Nc2ccc(Cl)cn2)c1,-1.2791328430175781
+Fc1cccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.3341708183288574
+NC(=O)C1CCN(C(=O)c2ccc([NH+]3CCCC3)cc2)CC1,-1.0841819047927856
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Br)c2)C1,-1.0849281549453735
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0529000759124756
+O=C(NC1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1Cl,-0.740431547164917
+Fc1c(Cl)cc(OCc2ccccc2)cc1-c1ccccc1,-1.2561625242233276
+Cc1cccc(-c2ccc(C(=O)Nc3ccccc3Cl)cc2)c1,-1.0246186256408691
+Nc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(F)c1,-1.0604945421218872
+O=C(Cc1ccc(Cl)cc1)NCc1cc2ccccc2o1,-1.358198642730713
+O=C(N[C@@H](CCCC(F)(F)F)C1CC1)c1ccc(Br)cc1,-0.9358141422271729
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730011224746704
+O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(Br)cc1F,-0.7086219191551208
+Clc1ccc(NC2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.198159098625183
+COc1ccc(NCc2ccc(OC)c(Cl)c2)cc1,-1.4870307445526123
+CC(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2)CC1,-1.2460112571716309
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.6811431646347046
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2o1,-0.9938931465148926
+Cc1cccc(NC(=O)CN2CCN(c3ccccc3)CC2)c1,-1.4715265035629272
+Cn1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Cl)cc2)n1,-1.0034410953521729
+C[NH+]1CCC[C@H](CNC(=O)c2cc3ccc(Cl)cc3s2)C1,-0.7989843487739563
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4289010763168335
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.093639612197876
+O=C(Nc1ccc(F)cc1Br)N1CCC(c2ccccc2)CC1,-0.8378270268440247
+Brc1ccc(CNc2cc(I)ccc2-c2ccccc2)cc1,-0.9561980962753296
+CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCCN3C)CC2)CC1,-1.037815809249878
+Cc1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c(O)c1,-1.0898644924163818
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1ccc(O)cc1,-1.2442116737365723
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.5149768590927124
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9642806649208069
+O=C(Nc1ccc(N2CCCCC2)cc1)C(O)=Nc1ccc(Cl)cc1,-1.0175772905349731
+CC1(C(=O)Nc2ccc(C3CCCC3=O)cc2)CCOCC1,-1.4361933469772339
+C[NH+]1CCCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.417881965637207
+O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N1CCc2sccc2C1,-1.0748988389968872
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2800897359848022
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1599210500717163
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccccc1,-1.1022753715515137
+C[C@H]1Cc2cc(C(=O)NCC3CCCCCC3)ccc2O1,-1.3679852485656738
+CCCC[NH+]1CCOCC1,-2.003098964691162
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2167476415634155
+NC(=O)c1ccc2c(c1)CCCC2,-1.6939895153045654
+Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C)n1,-0.9657164812088013
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)on1,-1.0776491165161133
+CC[C@@H](C)CNC(=O)C(=O)N1CCC(c2ccccc2)CC1,-1.4814910888671875
+Cc1cccc(-c2ccc(NCc3ccc(O)cc3)cc2)c1,-1.4155867099761963
+CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,-1.3351686000823975
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1Cl,-1.1181678771972656
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.2050492763519287
+Cc1ccc(C(=O)NC[C@](C)(O)c2ccc(Cl)cc2)cc1,-1.378341555595398
+C[NH+]1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.3986966609954834
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1728184223175049
+O=C(NCc1ccc(Cl)nc1)c1ccc2c(c1)CCCC2,-1.0599244832992554
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2870326042175293
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.4465665817260742
+CC(=O)N1CCC(C(=O)Nc2ccc3ccccc3n2)CC1,-1.0041590929031372
+Clc1ccc(OCCCNCc2ccccc2)cc1,-1.637954831123352
+NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1,-1.2353252172470093
+O=C(Nc1noc(C2CCCCC2)n1)c1ccc2ocnc2c1,-1.0658541917800903
+CC(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1121143102645874
+O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-0.9965174794197083
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Cl,-0.8910456299781799
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2o1,-1.1968291997909546
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1531087160110474
+Cc1ccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)cc1,-1.2414183616638184
+O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2F)cc1,-1.0850250720977783
+O=C(Cc1nc2ccc(F)cc2[nH]1)NC[C@@H]1CCCCO1,-1.1849846839904785
+O=C(Nc1cc(Cl)ccc1F)N1CCC(c2ccccc2)CC1,-0.9808385968208313
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4894663095474243
+CCOc1ccc(CN2CCN(C(C)C)CC2)cc1,-1.5665751695632935
+CC(C)(C)Cc1ccc(NC(=O)CN2CCOCC2)cc1,-1.6192148923873901
+COc1ccccc1CNC(=O)N1CCC(Br)C1,-1.458884596824646
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.1355029344558716
+C[C@@H]1CCC[C@@](C)(NC(=O)N2CCN(c3ccccc3)CC2)C1,-1.269850730895996
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1Cl,-1.063355565071106
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-1.3097344636917114
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.043805718421936
+Clc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl,-1.1033581495285034
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1Cl,-1.0307215452194214
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.0403879880905151
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1,-1.0291796922683716
+CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4326066970825195
+CC(=O)Cc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1,-1.5457682609558105
+Cc1cccc(CNC(=O)c2ccc3nc(C)oc3c2)c1,-1.1597042083740234
+N#Cc1ccc(-c2ccc(OCc3ccccc3O)cc2)cc1,-1.3222668170928955
+O=C(NCc1ccc2nn[nH]c2c1)c1ccc(Cl)c(F)c1,-0.7097895741462708
+C[NH+]1CCN(c2ccc3c(c2)CN(C(=O)c2ccc(F)cc2)CC3)CC1,-0.6765779256820679
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823006868362427
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.008328914642334
+Cn1cc(NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cn1,-1.016000509262085
+Cc1cccc2cc(C(=O)NCc3ccc(Br)cc3)[nH]c12,-0.9501603245735168
+Cc1ccc(NCC2CCN(c3cccc(Br)c3)CC2)cc1,-1.1492671966552734
+CC1(C)CC[C@H](NC(=O)c2ccoc2-c2ccccc2)C1,-1.4464930295944214
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)cc1,-1.2741798162460327
+Cc1cccc(NC(=O)NCC2CCCCC2)n1,-1.6210780143737793
+Cc1nc(C(=O)N2CCCC2Cc2ccc(F)cc2)cs1,-1.0053719282150269
+O=C(NC1CCCCC1)C1CCN(c2ccc(Cl)cc2Cl)CC1,-0.7224826812744141
+Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1,-1.0781010389328003
+Cc1c(F)cccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0272343158721924
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.889258623123169
+O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCC1,-1.1477699279785156
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.2917777299880981
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4191583395004272
+O=C(O)c1ccc(OCC(O)=NCCc2ccccc2)cc1,-1.5554933547973633
+Cc1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)c(C)c1,-1.1465184688568115
+Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21,-0.9046847820281982
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166179180145264
+O=CNCc1ccccc1,-2.014540195465088
+O=C(Nc1cccc(F)c1)C1CCN(c2ccccc2O)CC1,-1.0797392129898071
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.620064616203308
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-0.9621891379356384
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.935467004776001
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.4990050792694092
+Cc1ccc(CC(=O)NCC(=O)c2ccccc2)cc1,-1.590911626815796
+C[C@H](NC(=O)N1CCS(=O)(=O)C1)c1ccc(F)cc1,-1.4649714231491089
+COc1ccc(CNCC(O)c2ccccc2)cc1,-1.6457544565200806
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238783359527588
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2995344400405884
+COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.4857628345489502
+Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(C)n2)cc1,-1.1331068277359009
+CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1,-1.3832957744598389
+NC(=O)[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1,-1.0191380977630615
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3129554986953735
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5295188426971436
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.56245756149292
+O=C(NCC1CCCCC1)N1CCC2(CCC(O)CC2)C1,-1.5411969423294067
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2437101602554321
+O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(O)cc1Cl,-0.9668964147567749
+N=C(O)CN1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.3053945302963257
+Cc1ccc(N2CCN(C(=O)Nc3ncccc3C)CC2)cc1,-1.001478910446167
+COc1ccccc1NC(=O)N1CC[C@]2(CC[NH+](C)C2)C1,-1.5147888660430908
+O=C(CNC(=O)c1cccc(O)c1)c1ccc(F)cc1,-1.411064863204956
+C[NH+]1CCC[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1,-1.3904072046279907
+CN(Cc1ccsc1)C(=O)Nc1ccc(I)cc1,-1.4525309801101685
+O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2Cl)cc1,-0.9743842482566833
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0943719148635864
+Nc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.8845542669296265
+Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.055916666984558
+C[NH+]1CCC[C@]2(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1,-0.867317795753479
+Cc1ccc(NC(=O)NCC2CCCCC2)nc1,-1.6240794658660889
+O=C(N[C@H]1CCO[C@H]1c1ccc(Br)cc1)[C@@H]1CC12CCC2,-1.0875133275985718
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.105140209197998
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.5308787822723389
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.068668246269226
+Nc1ccc(F)cc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1665085554122925
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)C1,-1.2665842771530151
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0206496715545654
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.5939186811447144
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br,-1.1227483749389648
+Fc1ccc(NCC2CCCCC2c2ccccc2)cc1F,-1.0527160167694092
+Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.347144365310669
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,-0.9648275971412659
+Nc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-0.9842111468315125
+Cc1ccc(C[NH+]2CCN(Cc3cccc(C)c3)CC2)cc1,-1.481629729270935
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3006811141967773
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0479425191879272
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033732891082764
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.3464365005493164
+O=C(c1ccc(F)cc1)N1CCOC2(CCCN(c3ccccc3)C2)C1,-1.1288869380950928
+C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2641979455947876
+COc1ccccc1CNC(=O)N1CC[C@@H](O)C1,-1.625386118888855
+O=C(NC1CCN(c2ccccc2I)CC1)c1ccc(Cl)cc1,-0.7777391076087952
+Fc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.1179606914520264
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2994532585144043
+C[C@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9406577944755554
+CCOc1cccc(NC(=O)c2ccc(Br)s2)c1,-1.5142779350280762
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0090935230255127
+CC1=C(C(=O)N2CCC(NC(=O)C(C)C)CC2)CCCN1C,-0.8467629551887512
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1199405193328857
+O=C(C[NH+]1CCCC[C@H]1c1ccccc1)Nc1ccccc1I,-1.1468212604522705
+CCc1ccc(C(=O)NCC(O)=Nc2ccc(F)cc2)cc1,-1.4548370838165283
+O=C(O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1,-1.1368117332458496
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3006458282470703
+O=C(Nc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1,-1.030204176902771
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)nc1,-1.1109486818313599
+O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.1366854906082153
+Cc1ccc(CN2CCN(C(=O)c3ccccc3I)CC2)cc1,-1.0701991319656372
+Cn1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1,-1.110272765159607
+C[C@@H](CCC(=O)NCc1ccccc1)C(=O)c1ccccc1,-1.5463241338729858
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.1367292404174805
+O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C1CCCCC1,-0.9840422868728638
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1108341217041016
+Cc1nc(C[C@@H]2CCCN2C(=O)Cc2ccccc2)no1,-1.3222315311431885
+CC(=O)Oc1ccc(NCc2ccccc2)cc1,-1.6990184783935547
+COc1ccc(CNC(=O)C2CC2C2CC2)cc1,-1.531853437423706
+Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](C[NH3+])C1,-0.7473538517951965
+Nc1cc(Br)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-0.9095652103424072
+O=C(NC1CCN(c2ccccc2)CC1)N1C[C@H]2CCC[C@H]2C1,-1.111306071281433
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.1903284788131714
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.121259331703186
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.4002691507339478
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1,-1.2288730144500732
+Cc1ccc2c(c1)CCN(C(=O)NCc1ccc(Cl)s1)C2,-0.8336281180381775
+O=C1CCN(C(=O)c2ccccc2)CN1Cc1ccccc1,-1.484522819519043
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0144989490509033
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5766892433166504
+O=C(c1ccc(Cl)s1)N1CCC(O)(Cc2ccco2)CC1,-1.3312392234802246
+O=C(Cn1ccc2ccccc21)NCc1ccc(Br)cc1,-1.2646113634109497
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1,-1.0244542360305786
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0575214624404907
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9459121227264404
+Cc1cc(Br)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.1169923543930054
+O=C(NCC1CCCC1)Nc1ccc(I)cc1F,-1.1660988330841064
+c1ccc(-c2nc(CNCC3CCCC3)cs2)cc1,-1.5560866594314575
+Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.7598365545272827
+Nc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0471874475479126
+C[C@H]1CCCN([C@@H]2CCC[C@H]2C(=O)Nc2cnn(C)c2)C1,-1.059597134590149
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0828567743301392
+CS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)CC1,-1.437413215637207
+C[C@@H](CC[NH+]1CCCCC1)NC(=O)N1CCC(C)(C)CC1,-1.5130982398986816
+O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.472992181777954
+Cc1cc(C(=O)Nc2ncc(C)s2)n(-c2ccccc2)n1,-0.9390144944190979
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)nc2)cc1,-1.056127905845642
+Cc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.432316541671753
+O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1,-0.9554839134216309
+CC1(C)CC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.5582594871520996
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.4687302112579346
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2cccc(F)c2)CC1,-0.35681840777397156
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1,-1.2093294858932495
+Cn1ccc(C(=O)Nc2cc(C3CC[NH+](C)CC3)[nH]n2)n1,-0.9879583716392517
+Cc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1,-0.9685342311859131
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019498586654663
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741563200950623
+Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(F)c1,-0.9764103293418884
+O=C(NC1CCN(c2ccccc2Cl)CC1)N1CCC(O)CC1,-0.9736389517784119
+Bc1ccc(-n2ccc(C(=O)Nc3cc(C)[nH]n3)n2)cc1,-1.030571460723877
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)N1CC[NH+](C2CCCC2)CC1,-1.173295259475708
+Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.3268829584121704
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9978139400482178
+CC(C)C(=O)N1CC[NH+](Cc2cccc(C(C)C)c2)CC1,-1.144081950187683
+O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCc2cn[nH]c2C1,-0.7100194096565247
+CC1(C)CN(c2ccc(SCc3ccccc3)cc2)CCO1,-1.5067261457443237
+C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1,-1.5246673822402954
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1050684452056885
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1Cl,-0.8056150674819946
+O=C(NC1CCN(c2ccccc2Br)CC1)c1ccc(Cl)cc1,-0.8107694983482361
+Cc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-0.9299887418746948
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.3812555074691772
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2s1,-0.9274861812591553
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984021663665771
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5124319791793823
+Clc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.2074096202850342
+CN(CCNC(=O)Cc1ccccc1)c1ccccc1,-1.6355340480804443
+CCCOc1ccc(CNc2ccc(Br)cc2)cc1,-1.5374232530593872
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6243635416030884
+O=C(N[C@H]1CC12CCCCC2)C1CCN(c2ccccc2)CC1,-1.303808569908142
+CN(C)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1,-1.4462672472000122
+O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.340975284576416
+O=C(Cc1cccc(F)c1)NC1C[NH+](C2CCCCC2)C1,-1.3887437582015991
+Cc1cccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)c1,-1.3643498420715332
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5413905382156372
+Cc1cc(C(=O)NC2CCCC2)n(-c2ccc(F)cc2)n1,-0.9907850623130798
+CCOC(=O)c1ccc(NC(O)=Nc2cccc(C)c2)cc1,-1.4788246154785156
+O=C(NC[C@H]1CC=CCC1)N1CCOCC2(CCCCC2)C1,-1.580260157585144
+O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2)C1)N1CCCCCC1,-1.0874656438827515
+C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.308330774307251
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2258933782577515
+C[C@@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1,-1.5678648948669434
+Cc1nnc(-c2ccccc2NC(=O)CC2CCCC2)o1,-1.305032730102539
+Cc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1,-1.1108665466308594
+CN1CCN(c2ccc(OCC(=O)c3ccccc3)cc2)CC1,-1.4538989067077637
+O=C(Cn1cnc2ccccc21)NCc1ccc(Br)cc1,-1.1713740825653076
+Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1402502059936523
+Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1,-1.038636326789856
+O=C(C[NH+]1CCOC2(CCCC2)C1)NCC1CCCCC1,-1.6655070781707764
+CC(C)(O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl,-1.1404414176940918
+C[NH+]1CCCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9755901098251343
+O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9490951895713806
+Cc1cc(NC(=O)Cc2ccccc2)n(C2CCCC2)n1,-1.3750213384628296
+Cc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1,-1.519705891609192
+CC1(C)CCCN(C(=O)NC[C@H](O)Cc2ccccc2)C1,-1.5642017126083374
+Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)cc1,-1.5241481065750122
+CCCN=C(O)COc1ccc(OCC(O)=NC(C)C)cc1,-1.5889650583267212
+NC(=O)C[NH+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.4729223251342773
+CC(C)(C)C(=O)NCc1ccc(N2CCNC2=O)cc1,-1.4315427541732788
+COc1ccc(C2CC2)cc1CNC1CCCCC1,-1.591557264328003
+CC(CN=C(O)C1CCCN(Cc2ccccc2)C1)c1cccc(F)c1,-1.0360162258148193
+Nc1cccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)c1,-1.1648170948028564
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.4990376234054565
+C[C@H]1C[C@H](Oc2ccccc2)CCN1C(=O)c1ccc(F)cc1,-1.1900101900100708
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9202014803886414
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1I,-0.8429803848266602
+Cc1nc2c([nH]1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.7322752475738525
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9889848828315735
+O=C(CC1CCCCC1)NC[C@H](O)Cc1ccc(Br)cc1,-1.472540259361267
+O=C(c1ccc(Nc2ccc(F)cc2Br)cc1)N1CCCCC1,-0.9562129378318787
+O=C1C[C@H](C(=O)N2CCC(Oc3ccccc3)CC2)CCN1,-1.4398300647735596
+Fc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1708576679229736
+O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cccc(F)c1,-0.7975971102714539
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-1.0776721239089966
+O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1F,-0.9646256566047668
+N#Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1,-1.5625524520874023
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1217907667160034
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125457048416138
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5298722982406616
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCN3)C1,-1.159463882446289
+CC(C)(O)CN1CCC(NC(=O)c2ccc(N)cc2)CC1,-1.4783201217651367
+CC(=O)N1CCN(C(=O)c2ccccc2-n2cccn2)CC1,-1.2008838653564453
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908174753189087
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0333725214004517
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1242772340774536
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0656551122665405
+COc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)cc1,-1.1122885942459106
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)c1ccc(O)cc1,-1.4095635414123535
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,-1.329930305480957
+Nc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,-1.373315691947937
+Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.114975929260254
+Cc1cccc(O[C@@H]2CCN(C(=O)c3cc(C)on3)C2)c1,-1.3716297149658203
+Cc1nc(C)c(NC(=O)NCc2ccccc2)s1,-1.3418455123901367
+Cc1ccc(CN=C(O)CNC(=O)c2ccccc2Br)cc1,-1.3696025609970093
+Cc1cccc(C)c1NC(=O)C1CC[NH+](C2CCCCC2)CC1,-1.082597255706787
+CC(C)N=C(O)Cc1ccc(OCc2ccccc2)cc1,-1.5653008222579956
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1,-1.0092512369155884
+CC(C)(O)CC(=O)NCc1ccc(-c2ccccc2)cc1,-1.6316859722137451
+O=C(NCc1ccc2cccnc2c1)[C@H]1C[C@@H]1C1CCOCC1,-1.0570486783981323
+C[C@H](N=C(O)COC(=O)c1ccccc1)c1ccc(F)cc1,-1.418280005455017
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)o2)CC1,-1.2538193464279175
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1cccc(Br)c1,-1.4887531995773315
+O=C(N1CCN(Cc2ccccc2)CC1)N1CC2CCCC2C1,-1.1901633739471436
+Fc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.182714819908142
+c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3058489561080933
+CN(C)C(=O)c1ccc(C(=O)N2CCn3ccnc3C2)cc1,-0.863629162311554
+Cc1cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-1.035939335823059
+Nc1cc(Br)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-0.9207017421722412
+O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3792277574539185
+CC(C)CC(=O)N1CCN(C(=O)Nc2ccccc2F)CC1,-1.0877732038497925
+C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[C@@H]2c2cccc(Cl)c2)C1,-1.0263371467590332
+Cc1ccccc1-c1ccc(C(=O)NC2CCC(O)CC2)cc1,-1.148062825202942
+Cc1cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)no1,-1.2938549518585205
+CC(C)N1CC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1=O,-0.6624776721000671
+Cc1cc(NC(=O)c2cccs2)n(-c2ccc(Cl)cc2)n1,-0.9406896233558655
+CC(C)(N)CC(=O)Nc1ccc(OC(C)(C)C)cc1,-1.6672050952911377
+Cn1cc2c(n1)C[C@@H](NC(=O)Cc1cccc(Cl)c1)CC2,-1.0048699378967285
+O=C(NCCN1C(=O)CCC1=O)c1ccc(Br)cc1,-1.2817455530166626
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5656147003173828
+Cc1nc2ccc(CNC(=O)c3ccc(F)cc3)cc2[nH]1,-1.0467214584350586
+CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2003945112228394
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(Br)c1,-1.0068751573562622
+COc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1,-1.4191592931747437
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Br)cc2)CC1,-1.0147805213928223
+O=C(NC1CCCCCC1)c1ccccc1-c1ccc(O)cc1,-1.2947660684585571
+Cc1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1,-1.1181731224060059
+Cc1cccc([C@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)c1,-1.1226792335510254
+O=C([C@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.88432377576828
+C[NH+]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9804568290710449
+Nc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1,-1.4397616386413574
+Cc1c(C#N)cc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.23238974809646606
+CN(Cc1ccc(O)c(Cl)c1)C(=O)CCc1ccccc1,-1.3485623598098755
+Cc1cnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8356435298919678
+O=C(O)c1ccc([N+](=O)[O-])cc1,-1.8846359252929688
+C[C@](O)(CNC(=O)Cc1ccccc1)CC1CCCCC1,-1.6378061771392822
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1684459447860718
+O=C(Nc1n[nH]c2ccccc12)N1CCC[C@H]1[C@H]1CCCCO1,-1.008635401725769
+CCN1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.028450608253479
+N#Cc1cc(I)ccc1NCc1ccc(N2CCOCC2)cc1,-1.0208882093429565
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9724828004837036
+O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)OC2,-1.4624203443527222
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCOCC2)C1,-1.0074527263641357
+CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1,-1.3325539827346802
+O=C(c1ccc(O)cc1O)N1CCC(Oc2ccccc2)CC1,-1.288752555847168
+O=C(c1ccc2nccn2c1)N1CCC[C@H]1Cc1ccccc1,-1.1252554655075073
+CCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.3711234331130981
+O=C(c1ccccc1F)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9189284443855286
+Cc1nc(CC(=O)N2CCC(CN3CCCCC3)C2)cs1,-1.1569061279296875
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-0.980162501335144
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.9087972640991211
+CC(C)N1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1,-1.1151463985443115
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3039377927780151
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2104854583740234
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)o1,-1.315247893333435
+O=C(NCc1nc(C2CC2)cs1)C1CCCCC1,-1.2622061967849731
+O=C(Cc1ccccc1)NC1CCN(c2ncccc2Cl)CC1,-1.1057264804840088
+COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.1283783912658691
+C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(Oc2ccccc2)cc1,-1.1465107202529907
+Fc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c(Cl)c1,-0.8157479166984558
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0707371234893799
+CC(C)C(C)(C)NC(=O)c1ccc(N2CCOCC2)cc1,-1.3210517168045044
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.0950417518615723
+O=C(NCc1ccc(Br)cc1)N1CCOC2(CCCC2)C1,-1.4720947742462158
+C[C@@H]1CCCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1,-1.3779900074005127
+Nc1ccccc1N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-0.9884560108184814
+CCc1ccc(CNC2CCCCC2)cc1,-1.7297663688659668
+C[NH+]1CCC[C@@H](NC(=O)NC2(C)Cc3ccccc3C2)C1,-1.365091323852539
+Cc1cc(NC(=O)COc2ccc(Cl)cc2)c(C)cc1F,-0.9901073575019836
+O=C(NC1CCCCC1)c1ccc(NCCCO)cc1,-1.6027226448059082
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0802708864212036
+O=C(c1ccc(F)cc1)N1CCOC[C@@H]1CCc1ccccc1,-1.4956812858581543
+COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)cc1,-1.0817286968231201
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1cccc(F)c1,-1.0595836639404297
+c1ccc(-c2noc(COCc3cccs3)n2)cc1,-1.589364767074585
+Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(F)c1,-0.9539735913276672
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCSC2CCC1C2,-0.6465920209884644
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4987542629241943
+O=C(NC[C@@H]1CCC(F)(F)C1)N1CCC(F)(F)CC1,-1.0706138610839844
+Fc1ccc(C[C@H]2C[NH+](Cc3ccc(Br)cc3)CCO2)cc1,-1.2857247591018677
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1cccc(F)c1,-1.2685497999191284
+Cc1cccc(N2CCC(COc3ccc(F)cc3)CC2)c1,-1.3425641059875488
+O=C(c1ccc(F)cc1F)N1CC[NH2+]C[C@H]1Cc1ccccc1,-0.9466432332992554
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1,-1.0598011016845703
+Nc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1,-1.3768173456192017
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2204309701919556
+Nc1ccc(F)c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1,-1.0943669080734253
+CCc1nc(C(=O)NCc2ccc(N)cc2)cs1,-1.2767598628997803
+Nc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.253237247467041
+Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.5137113332748413
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1945492029190063
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2441322803497314
+CCc1ccc(C(=O)N[C@H]2CCOC3(CCCCCC3)C2)cc1,-1.5070817470550537
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.2821851968765259
+CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1N1CCOCC1,-1.2190258502960205
+CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.9568958878517151
+c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.022550344467163
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1,-0.9779199957847595
+C[C@@H]1CN(c2ccccc2)C[C@@H](C)O1,-1.7793828248977661
+Cc1ccc(CNc2ccc(-c3ccccc3)cn2)cc1Br,-1.0421730279922485
+O=C1CCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(F)cc1,-1.021949291229248
+Cc1ccc(N2CCC(OCc3ccc(F)cc3)CC2)cc1,-1.3450878858566284
+C[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)O)cc2)CC1,-1.5867316722869873
+Cc1nnc(NC(=O)[C@H]2CCCCN2C(=O)C(C)C)s1,-0.7332860231399536
+O=C(NC1CCN(c2cccc(F)c2)CC1)N1CCCOCC1,-1.2757474184036255
+O=C(NCC1CC1)c1ccc(-c2conn2)cc1,-1.621728539466858
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.531822681427002
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2166593074798584
+CC(c1ccccc1)N1CCn2nc(Cc3ccccc3)nc2C1,-0.8772882223129272
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300022602081299
+O=C(NCc1cc2ccccc2o1)N1CCC[C@@H]2CCCC[C@@H]21,-1.0235949754714966
+NC(=O)c1ccc(NC(=O)Cc2ccc(I)cc2)cc1,-1.2807027101516724
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)ccc1Cl,-0.9027904868125916
+Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.2366548776626587
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(O)cc1,-1.1446510553359985
+O=C(NCC1CCCCC1)Nc1ccc(Br)cc1,-1.521826148033142
+CCC1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.028622031211853
+Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2[nH]1,-0.9596983790397644
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0889878273010254
+Nc1ccc(COc2cc(F)ccc2-c2ccccc2)cc1,-1.2499902248382568
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1835006475448608
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9420090913772583
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.1780693531036377
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cs1,-1.1491456031799316
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.000511884689331
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5007789134979248
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0566257238388062
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(N)c1,-1.1677416563034058
+O=C([O-])CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1,-1.22324800491333
+O=C(NC1CCCC1)c1ccc2nc(-c3ccccc3)oc2c1,-1.1838899850845337
+COc1ccc(CNc2ccc(N(C)C)cc2)cc1,-1.58518648147583
+Fc1ccc(OCCNCCC2CCOCC2)cc1,-1.6522397994995117
+Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)s1,-1.0581727027893066
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8970711827278137
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.1020413637161255
+C[C@@H]1C[C@H](NC(=O)c2ccccc2O)CCN1c1ccccc1,-1.1252310276031494
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1033326387405396
+O=C(Cc1cccc(O)c1)NCc1nc2ccccc2[nH]1,-1.2886980772018433
+O=C(CC1CCCCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4202197790145874
+O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1,-1.0568989515304565
+C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.3688563108444214
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1434571743011475
+Cc1ccc(C(=O)NC[C@@H](CC(N)=O)c2ccccc2)cc1,-1.422642707824707
+Cc1ccc(C(=O)NCc2nc3ccc(C)cc3s2)cc1,-0.9091731905937195
+O=C(CCN1CCCCC1)Nc1ccc(N2CCCCC2)cc1,-1.5012246370315552
+Cc1ccc2nc(CNC(=O)c3cccc(S)c3)oc2c1,-1.0981357097625732
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)[C@@H]1CCC[NH+]1C1CCCCC1,-1.1491602659225464
+CC1(C)CCN(C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1,-1.3541808128356934
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0902155637741089
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.6834197044372559
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796680927276611
+O=CN1CCN(c2ccc(F)cc2)CC1,-1.6922370195388794
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,-1.0442421436309814
+O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.553932547569275
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.294455885887146
+OC(=NCc1ccc(OCc2ccccc2)cc1)N1CCCC1,-1.527665376663208
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1O,-1.0115106105804443
+CC(C)(O)CCCNC(=O)[C@H]1CCCN(C(=O)CCCF)C1,-1.5091991424560547
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0827983617782593
+CC(C)(C)C(=O)N1CCN(Cc2ccc3c(c2)OCCCO3)CC1,-1.0446975231170654
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1265932321548462
+COc1ccc(NC(=O)N2CCOC3(CCCOCC3)C2)cc1,-1.5473885536193848
+O=C1CC(NCc2ccccc2)CN1c1ccc(F)cc1,-1.3812023401260376
+Cc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1,-1.2404005527496338
+C[NH+]1CCN(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1,-1.2539358139038086
+CC(C)c1ccc(-c2noc(Cc3ccc(O)cc3)n2)cc1,-1.2108548879623413
+CCn1ccc(C(=O)N2CCN(c3ccc(Cl)cc3F)CC2)n1,-0.6920061111450195
+O=C(Nc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1536506414413452
+O=C(NCc1cc2ccc(F)cc2[nH]1)c1ccc(Br)cc1,-0.9291488528251648
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0330793857574463
+CCC(Oc1ccc(O)cc1)C(=O)NC1CCC(C)CC1,-1.5450235605239868
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9888930320739746
+Cc1cccc(CNC(=O)Cc2nc3ccccc3o2)c1,-1.4091957807540894
+Cc1ccc(Cl)c(CNC(=O)c2ccc3c(c2)OCO3)c1,-1.0212788581848145
+O=C(c1ncccc1Br)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8425308465957642
+CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.537388801574707
+O=C(c1ccc(Br)cc1)N1CCCN(Cc2ccccc2)CC1,-1.235174298286438
+Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.074855923652649
+O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.0520395040512085
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0621250867843628
+C[NH+]1CCC[C@@H]2CN(C(=O)NCc3ccc(F)cc3)C[C@H]21,-1.021039366722107
+c1ccc(OCc2cc(-c3ccccc3)c3ccccc3n2)cc1,-1.1072070598602295
+COCc1nnc(N2CCOCC2)n1-c1ccc(C)c(C)c1,-0.9299848675727844
+Cc1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1,-1.1913849115371704
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0531506538391113
+COC(=O)c1ccc(C(=O)N2CCc3ccc(N)cc32)cc1,-0.9452245831489563
+O=C(NCC1CCCCC1)Nc1ccc(Cl)nn1,-1.2791695594787598
+CCOc1ccc(C(=O)N2CCOC3(CCCCCC3)C2)cc1,-1.5187290906906128
+CCC(C)(C)NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-1.0907362699508667
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2024165391921997
+CC(O)C1CCN(C(=O)c2ccc(-c3ccccc3)nn2)CC1,-0.9714741110801697
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4631600379943848
+O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(O)c1,-1.4811716079711914
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.529109001159668
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526873111724854
+O=C(NCc1ccc(Cl)c(Br)c1)[C@H]1CCC(F)(F)C1,-0.8041108846664429
+CC1(C)CCCN(c2ccccc2CNc2ccccc2)C1,-1.4507266283035278
+C[NH+]1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.4182839393615723
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.062109112739563
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccn2)CC1,-0.8653204441070557
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)nc1,-0.8037134408950806
+Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.1740652322769165
+Cc1ccc(CSCC(=O)N2CCC(C)(C)CC2)o1,-1.5979878902435303
+O=C1[C@H](Nc2ccc(F)cc2)CCN1Cc1ccccc1,-1.41049063205719
+O=C(N[C@@H]1CN(c2ccccc2)CCC1=O)c1ccccc1,-1.3834437131881714
+Cc1c(C(=O)N[C@H]2CC[C@@H](C)CC2)nnn1-c1ccccc1F,-0.6215553879737854
+NCc1ccc(F)cc1,-1.9555401802062988
+O=C(NCc1cccc(Cl)c1)c1cc2ccc(O)cc2s1,-1.0800590515136719
+O=C(c1cc(F)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.0817842483520508
+Cc1cc(CC(=O)NC2CC[NH+](C3CCCC3)CC2)on1,-1.3913649320602417
+CCO[C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1,-1.4477589130401611
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1304489374160767
+Cc1nnnn1-c1ccc(C(=O)N2CCC[C@H](C(C)C)C2)cc1,-0.6136876344680786
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.259583592414856
+CC[C@@H]1CCC[C@H]1NC(=O)N1CCC=C(C2CCOCC2)C1,-1.324642539024353
+COc1ccccc1C[NH+]1CC2(CCN(C(N)=O)CC2)C1,-1.4743297100067139
+Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccnn2C)no1,-0.9824092984199524
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2258203029632568
+O=C(Nc1ccn(-c2ccc(F)cc2)n1)c1ccc(Br)o1,-1.0269054174423218
+c1ccc(Cn2ccc(C[NH+]3CCC4(CCCC4)C3)n2)cc1,-1.5827499628067017
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0640411376953125
+O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.3084625005722046
+Cc1nc2ccc(CNC(=O)Cc3ccccc3)cc2[nH]1,-1.2663958072662354
+c1ccc([C@H]2CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1,-1.4291707277297974
+C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1,-1.1695500612258911
+c1ccc(-c2nnc(C3CCN(Cc4cccc[nH+]4)CC3)o2)cc1,-1.2686400413513184
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0855244398117065
+Fc1ccc(NCC2CCN(c3ccccc3)CC2)cc1F,-1.1104439496994019
+CC1(C)CCN(C(=O)Nc2ccc(N3CCCC3)cc2)C1,-1.4031703472137451
+CN(CC(O)=NCCc1ccccc1)Cc1ccc(F)cc1F,-1.3553719520568848
+Cc1cccc(N2CCC(NC(=O)c3ccccc3N)CC2)c1,-1.0593867301940918
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1798951625823975
+C[C@H]1CCCN(C(=O)Cc2ccc(C[NH+]3CCOCC3)cc2)C1,-1.4633123874664307
+c1ccc(CN2CC[C@@]3(CCN3Cc3ccccc3)C2)cc1,-1.5595866441726685
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1498386859893799
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9960467219352722
+COc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc1,-1.4670971632003784
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9522531628608704
+Cc1ccc(-c2cc(C)ccc2OCc2ccccc2)cc1,-1.3826148509979248
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cn1,-1.0209808349609375
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9819778203964233
+Cc1ccc(CC(=O)NCc2ccc(Br)c(Cl)c2)s1,-1.0661840438842773
+CCCC(=O)N1CCC(CC(=O)Nc2ccc(F)cc2)CC1,-1.4080435037612915
+Cc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,-1.424628734588623
+C[C@@H]1CN(c2ccccc2NCc2ccccc2)C[C@H](C)O1,-1.4704158306121826
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0556330680847168
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2556915283203125
+O=C(CCC1CCOCC1)N1CCC(Nc2ccccc2)CC1,-1.5101804733276367
+CN(C)C(=O)NCC1CCN(c2ccccc2F)CC1,-1.3252143859863281
+CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCO1,-1.54469895362854
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0520542860031128
+c1ccc(-c2ccc(Nc3ncc(-c4ccccc4)o3)cc2)cc1,-1.3638733625411987
+Clc1ccc(-c2ccccc2)c(NCc2ccc(Br)cc2)c1,-1.006528615951538
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9919648766517639
+O=C(Nc1ccc(F)nc1)c1ccc(N2CCCC2=O)cc1,-1.0513757467269897
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(O)c1,-1.1510404348373413
+N#Cc1ccc(CNC(=O)c2ccc(I)c(F)c2)cc1,-0.9857714772224426
+COc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.4234532117843628
+Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1,-1.0926207304000854
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318537473678589
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)C2)cc1,-1.4062448740005493
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8272027969360352
+Cc1ccc(NC(=O)NCCc2ccccc2)s1,-1.635710597038269
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c1,-1.1508002281188965
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2140570878982544
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2683316469192505
+O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1Cl,-0.7415452003479004
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.0893316268920898
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0197075605392456
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.444326400756836
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636525392532349
+Cc1cc(Br)ccc1NC(=O)NC[C@@H]1CCOC1,-1.5350669622421265
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(N)c1,-1.0595465898513794
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3627382516860962
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084311604499817
+CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3656338453292847
+Cc1ccc([C@H]2C[C@H](NC(=O)c3ccc(Cl)cc3)C2)cc1,-1.1137951612472534
+C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1F,-1.053957462310791
+C[C@@H]1CN(C(=O)Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.4672589302062988
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.0503227710723877
+CC(C)N1CCN(C(=O)Cc2ccccc2)CC1,-1.602485179901123
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6612251996994019
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3951703310012817
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8206285834312439
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4690050780773163
+O=C(NC[C@@H]1C[C@H]2CCCC[C@H]2O1)c1cccc2nccnc12,-0.9194096922874451
+Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1229126453399658
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2681982517242432
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4586299657821655
+CC(C)(C)c1ccc(C[NH+]2CCN(CC(=O)[O-])CC2)cc1,-1.431091547012329
+CC(=O)OCc1ccccc1,-1.9641669988632202
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.3880224227905273
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4595022201538086
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)no1,-1.3504343032836914
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc12,-0.8974171876907349
+FC(F)(F)c1ccc(C[NH+]2CCC[C@H]2c2ccccc2)cc1,-1.1872882843017578
+CC(O)=Nc1cccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1,-0.8553550839424133
+O=C(NCCCc1ccc(F)c(F)c1)c1ccc(F)nc1,-1.0037480592727661
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cn2)CC1,-0.8634734749794006
+CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1,-0.998753547668457
+O=C(NC[C@H]1CCOC2(CCC2)C1)[C@@H](O)c1ccccc1,-1.5835809707641602
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3114887475967407
+Cc1nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)co1,-1.0279786586761475
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9808177351951599
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.267141580581665
+Cc1ccc(Br)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.0185519456863403
+CCCCN=C(O)N1CCN(Cc2ccc(OCC)cc2)CC1,-1.4964251518249512
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4245291948318481
+Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1,-1.0826841592788696
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8653573393821716
+Cc1cc(F)ccc1C(=O)N1CCN(CC2CCCCC2)CC1,-1.044249415397644
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.115835189819336
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.185239553451538
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1035906076431274
+Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cn1,-1.262995958328247
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0767595767974854
+Cc1ccc(Oc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1,-1.5012661218643188
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0648480653762817
+Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1,-1.0425595045089722
+NCCCOc1ccc(NC(=O)c2ccccc2)cc1,-1.6716375350952148
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.1054561138153076
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.1428464651107788
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1888436079025269
+O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(O)cc1Cl,-0.9808031320571899
+Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.0559065341949463
+C[C@@H]1CN(C(=O)NC[C@H]2CC23CCC3)c2ccccc2O1,-1.3173328638076782
+CC1(C)CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.5577579736709595
+Cc1nnc(SC(C)c2ccccc2)n1-c1ccc(F)cc1,-0.7999821305274963
+O=C(Cc1ccc(F)cc1Br)NCc1ccc(F)cc1F,-0.8156429529190063
+Cc1ccc(SCCC(=O)Nc2cc(Cl)ccc2C)cc1,-1.0748095512390137
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.027845859527588
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0840978622436523
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.114276647567749
+CC(=O)Nc1ccc2c(c1)CCN(C(=O)C1CCOCC1)C2,-1.1443290710449219
+Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.125219464302063
+Cc1cc(Cl)ccc1NC(=O)c1cccc(C2CCOCC2)c1,-1.027203917503357
+CC1(C)CCN(C(=O)NCc2ccc3occc3c2)CC1,-1.359779715538025
+Cc1cc(NC(=O)c2coc(-c3ccc(Cl)cc3)n2)no1,-1.0844440460205078
+Cc1ccccc1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.1703355312347412
+O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccccc1,-1.3979586362838745
+Cc1cccnc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4123293161392212
+CN1CCN(c2ccc(COc3ccc(F)cc3)cc2)CC1,-1.3324003219604492
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.065951943397522
+Cc1cc(C(=O)Nc2nc(-c3ccc(O)cc3)no2)sn1,-0.9964942932128906
+CC(C)(C)C1CCC(NC(=O)c2ccc(Br)cc2F)CC1,-0.6485074162483215
+O=C(COc1cccc(F)c1)Nc1nc2ccccc2o1,-1.400313377380371
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0710645914077759
+O=C(NCc1ccccc1)Nc1cccc(Br)n1,-1.5356470346450806
+Nc1ccc(CNC(=O)c2coc3cc(Br)ccc23)cc1,-1.102172613143921
+CC(Cc1ccccc1)N1CCN(C(=O)C2CCOCC2)CC1,-1.3915339708328247
+Cc1cc(Cl)ccc1NC(=O)NC[C@H]1CCCO1,-1.545418381690979
+O=C(c1ccccc1Br)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.8338750600814819
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820313215255737
+C[C@](O)(CNC(=O)Cc1cccc(F)c1)c1ccccc1,-1.61516273021698
+Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Br,-1.0256649255752563
+CC[C@H]1CCCCN1C(=O)NCc1csc(C)n1,-1.2196661233901978
+OC1(Cc2ccccc2)CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4616347551345825
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9903400540351868
+O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4074915647506714
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1O,-1.4678518772125244
+Fc1ccc(-c2ccc(NCc3cccc(F)c3)cn2)cc1,-1.126405954360962
+CC(C)c1ccccc1NC(=O)CN1CCCCCCC1=O,-1.2640899419784546
+CC1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1,-1.245548963546753
+Fc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1,-1.332777976989746
+C[C@]1([NH2+]Cc2ccccc2Br)CCN(c2ccc(Br)cc2)C1,-0.958379328250885
+C[C@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.3190507888793945
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9614951014518738
+Nc1cc(F)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-1.0100575685501099
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1304563283920288
+CCCCC(=O)NC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.323069453239441
+CCc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2394521236419678
+Cc1cccc([C@H]2C[C@H](NC(=O)c3cccc(O)c3)C2)c1,-1.2926512956619263
+O=C(NCCCCc1ccc(Br)cc1)c1cc2ccccc2o1,-1.23843252658844
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8445355296134949
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0596548318862915
+CC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2)cc1,-1.2818987369537354
+O=C(N[C@H]1CCC2(CCOCC2)C1)[C@H]1CC[NH+](C2CC2)C1,-1.4906033277511597
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9750040769577026
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0123704671859741
+O=C(c1cccc(O)c1)N1CCN(Cc2ccccc2F)CC1,-1.1263173818588257
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9993857145309448
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(F)cc1O,-1.1277556419372559
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1csc(-c2ccccc2)n1,-0.9369824528694153
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2o1,-1.0406912565231323
+O=C(c1ccc(C[NH+]2CCn3cncc3C2)cc1)N1CCCC1,-1.2489006519317627
+Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cn1,-1.0588608980178833
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.6225125789642334
+CC1(C)CCCN(C(=O)Nc2cccc(C(=O)O)c2)C1,-1.4956629276275635
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.484490990638733
+O=C(Nc1ccc(I)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.8409203886985779
+C[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9921616911888123
+O=C(Cc1cc2ccccc2s1)NCc1ccc(Cl)cc1,-1.1586054563522339
+Cc1ccc(CCN=C(O)CN=C(O)COc2ccc(F)cc2)cc1,-1.3530255556106567
+CN1CCN(c2ccc(C(=O)NC(C)(C)C)cc2)C1=O,-1.2180815935134888
+Cc1cccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)c1,-1.1456377506256104
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5146551132202148
+CC(=O)N1CCC(NC(=O)c2ccc(O)c(C)c2)CC1,-1.1898576021194458
+C[C@@H]1C[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1,-1.516729474067688
+CCn1cnc2cc(NC(=O)c3cccc(F)c3)ccc21,-1.0094380378723145
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-1.0997955799102783
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.9802101850509644
+Cc1nc(-c2ccc(NC(=O)C[NH+]3CCCC3)cc2)n[nH]1,-1.1816078424453735
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.611871600151062
+CC(C)(C)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1,-0.927396297454834
+O=C(Cc1cccc(F)c1)NC[C@H](O)Cc1ccccc1,-1.6162607669830322
+Cc1cc(Cl)ccc1CSc1nc(-c2ccc(F)cc2)no1,-0.7552843689918518
+Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1,-1.2213165760040283
+C[C@@H](CC(=O)N[C@H]1CCO[C@@H]1C1CCCCC1)c1ccccc1,-1.4605727195739746
+CCCCC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1,-1.5214228630065918
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.525549054145813
+O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1c1ccccc1F,-0.8573262095451355
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4862220287322998
+CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5642461776733398
+Cc1ccc(C(C)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.1467928886413574
+CC1(C)CCN(c2cccc(CSc3ccccc3)c2)CC1,-1.4342100620269775
+Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9597486257553101
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.1196078062057495
+Nc1ccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.7580040693283081
+CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H]1c1ccc(F)cc1,-0.914402425289154
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.8778752684593201
+C=CCCCCCCOc1ccc(NC(=O)CCCCCCCC)cc1,-1.6066265106201172
+Cc1ccc(NC(=O)c2ccc([C@H]3CCCCO3)cc2)c(F)c1,-1.1004377603530884
+O=C(N[C@@H]1CCCOC1)N1CCC(c2ccc(F)cc2F)CC1,-0.9075998067855835
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1c[nH+]c2ccccn12,-1.1887542009353638
+CC(C)(CNC(=O)[C@@H]1CCC2CCC1C2)c1ccccc1,-1.2179285287857056
+O=CNCC1CCCCC1,-1.9944541454315186
+C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9365366697311401
+N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,-1.5251187086105347
+Fc1ccc(C[NH2+]C2(N3CCOCC3)CCOCC2)cc1F,-1.4331872463226318
+COc1ccccc1C(=O)N1CCN(c2ccc(C)cc2)CC1,-1.2457748651504517
+CC(C)(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.2048391103744507
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(F)cc2s1,-0.8033859729766846
+C[C@H]1CCCCN(C(=O)NC[C@H](O)c2ccc(Br)cc2)C1,-1.2401466369628906
+O=C(Cc1cccc(Br)c1)NC[C@@H]1CC[NH+]2CCC[C@@H]2C1,-1.1662601232528687
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8765298128128052
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.194710612297058
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.4444688558578491
+Cc1cc(Br)ccc1C(=O)N1CCCCC1,-1.2948263883590698
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.0771561861038208
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.884351909160614
+CC[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1,-1.3370739221572876
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1909656524658203
+Cc1ccc2c(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)ccnc2c1,-0.4147908091545105
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)cc1,-0.580609917640686
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1O,-1.193066120147705
+O=C(Nc1cc(-c2ccccc2)nnc1Cl)c1ccc(O)cc1,-0.8373820781707764
+Cc1ccc(N=C(O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1,-1.1586400270462036
+CCOc1ccc(C(=O)Nc2noc(C)n2)cc1,-1.6412099599838257
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.533109188079834
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.7062881588935852
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0385569334030151
+O=C(NCc1ccc(O)cc1)N1CCC2(CCOCC2)C1,-1.576308250427246
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1942332983016968
+Cc1ccc(C(=O)NCc2ccccc2)cc1,-1.6951147317886353
+Fc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1F,-1.1308780908584595
+Cc1cc(F)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9954681992530823
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2404956817626953
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8830834031105042
+O=C(Cc1nc2ccccc2s1)NCc1ccc(O)cc1,-1.186946153640747
+COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.072461485862732
+COc1ccc(-c2nc(C)nn2Cc2ccc(Br)cc2)cc1,-0.8386072516441345
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389419794082642
+O=C(c1ccc(F)cc1)N1CCC[C@H](CC[NH+]2CCOCC2)C1,-1.318199634552002
+O=C1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.4296191930770874
+CCC[NH+]1CCc2ccc(Cl)cc2C1,-1.5779190063476562
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531808614730835
+Cc1nnc(NC(=O)NCCC2CCOCC2)s1,-1.492777705192566
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0985523462295532
+c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1,-1.1192405223846436
+Clc1ccc(N2CCN(Cc3noc(C4CC4)n3)CC2)cc1,-0.8823832273483276
+c1ccc(CC2Cc3ccccc3CN2Cc2ccccc2)cc1,-1.322405219078064
+Cc1ccccc1C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1,-1.1485950946807861
+C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6935451030731201
+O=C(CCc1ccccc1)NC1CCC(c2ccccc2)CC1,-1.503497838973999
+O=C(N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1F,-1.0695773363113403
+Cc1cccc(CNC(=O)Nc2ccccc2)c1,-1.6846954822540283
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)o1,-1.1848971843719482
+COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.1911945343017578
+Clc1ccc(-c2ccc(CNc3ccc(Br)cc3)cc2)cc1,-1.0740575790405273
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)c1,-1.516059398651123
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.2965630292892456
+O=C(Nc1ccc(F)cc1)N1CCC(CC(F)(F)F)CC1,-1.1518586874008179
+Cc1ccccc1NC(=O)C1CCN(c2ccc(I)cc2)CC1,-0.9068773984909058
+CC(=O)Nc1ccccc1C(=O)N1CCC2(CCC2)C1,-1.4659479856491089
+CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1,-1.4226429462432861
+Clc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.1010340452194214
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0069736242294312
+CC(C)CCN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-1.1767804622650146
+O=C(Cc1ccccc1Cl)NC1CCN(c2ccccc2)CC1,-1.1867469549179077
+C[C@@H](CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1,-1.5684083700180054
+CN(c1ccccc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1,-0.9982133507728577
+O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](F)C1,-0.96475750207901
+c1ccc(CNc2nc3ccccc3nc2-c2ccccc2)cc1,-0.9621954560279846
+Cc1ccc(CNCc2csc(C3CC3)n2)s1,-1.2311772108078003
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.245059847831726
+O=C(NCCCc1ccc(Br)cc1)c1ccc(Cl)c(O)c1,-1.0653547048568726
+O=C(N1CCC(c2ccccc2)CC1)N1CC[C@@H](C(O)=NC2CC2)C1,-0.9390078783035278
+CC(C)Oc1ccc(OCC(O)=NC(C)C(=O)O)cc1,-1.576582670211792
+O=C(NCc1ccc(F)cc1)N1CCOC2(CCCC2)C1,-1.5502281188964844
+Cc1ccc(CNC(=O)N2CCc3[nH+]ccn3C2)cc1F,-1.0245593786239624
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-0.8830828070640564
+C[C@@H]1CCCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1,-1.033719778060913
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4654666185379028
+Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)o1,-1.5360760688781738
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9103212952613831
+CC(C)(O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1,-1.433944582939148
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0234018564224243
+CC1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0240812301635742
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(O)cc1,-0.983700156211853
+Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.6095829010009766
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1385698318481445
+O=C(NCc1cccc(Cl)c1)c1cc2ccc(Br)cc2o1,-0.9513733386993408
+O=C(C1CCC(F)(Cl)CC1)N1CC[NH+](CC2CCCCC2)CC1,-0.9171538352966309
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1,-0.8001495003700256
+[NH3+]c1ccc(C(=O)N2CCN(C[C@H]3CCCCO3)CC2)c(F)c1,-1.0838944911956787
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4062614440917969
+CCCC(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1,-1.3455135822296143
+Cc1cc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1,-1.009285569190979
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885570168495178
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-1.096062183380127
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.342551589012146
+Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(C)c1,-1.093916654586792
+O=C(N[C@H]1CCCN(C(=O)CCCF)C1)c1ccc(F)cc1,-1.2661505937576294
+CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1,-1.391061782836914
+C[NH+]1CCN(c2ccccc2NC(=O)c2ncccc2Cl)CC1,-0.8812101483345032
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9591251015663147
+O=C(c1ccc(Cl)cc1Cl)N1CCN(CC2CCCCC2)CC1,-0.8367578387260437
+O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.9762541055679321
+O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9408584833145142
+O=C(N[C@H]1CCC[C@H](c2ccc(F)cc2)C1)C1CCCCCC1,-1.1327401399612427
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.917233943939209
+O=C(N[C@H]1CC12CCOCC2)N1CCCC[C@H]1C1CCOCC1,-1.4030249118804932
+Fc1cccc(COc2ccc(-c3ccc(Br)cc3)cc2)c1,-1.1873526573181152
+O=C(C[NH+]1CC[NH+]2CCC[C@@H]2C1)NCc1ccc(Br)cc1,-1.2264248132705688
+CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.512532114982605
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1,-1.199385404586792
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1076818704605103
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.0525298118591309
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-0.9532042145729065
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589110612869263
+[NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9330625534057617
+C[C@@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2122480869293213
+O=C(Nc1ccc(F)cc1F)[C@H]1CCC[NH+](C2CCCCC2)C1,-0.8275110125541687
+O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)nc1,-1.283893346786499
+O=C(CCC1CCOCC1)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.5017114877700806
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4378304481506348
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,-0.8910516500473022
+O=C(c1cccc2cc(Br)ccc12)N1CCN(c2ccc(F)cc2)CC1,-0.46430131793022156
+O=C(c1cc(F)ccc1O)N1CCC[C@H](Cc2ccccc2)C1,-1.2284904718399048
+O=C(N[C@@H]1CCCC[C@@H]1c1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1O,-1.0374845266342163
+N#Cc1ccc(NC(=O)c2cccc(-c3ncon3)c2)cc1,-1.3985302448272705
+O=C(NC1CCOCC1)c1ccc(CC(O)=NC2CC2)cc1,-1.4748414754867554
+Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1,-1.0356566905975342
+C[NH+]1CCC(CCNC(=O)c2ccc3c(c2)CCC3)CC1,-1.2382407188415527
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.5036108493804932
+Cc1ccc(CN2CC[NH+]([C@H](C)Cc3ccccc3)CC2)o1,-1.5093134641647339
+O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1cccc(Cl)c1,-1.4797254800796509
+O=C(N[C@@H]1CC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccco1,-1.4777003526687622
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)sc2c1,-1.0011850595474243
+C[C@@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.3061611652374268
+O=C(NC[C@H]1CCCOC1)Nc1ccc(Cl)nc1,-1.613259196281433
+Clc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.1442941427230835
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)s1,-0.8430943489074707
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3324124813079834
+O=C(Nc1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1799992322921753
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2819759845733643
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9913156032562256
+O=C(CCc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1,-1.4904356002807617
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.2088074684143066
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.035187005996704
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.13135826587677
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273563265800476
+O=C(O)Cc1ccccc1NC(=O)N1CC2CCCCC2C1,-1.3235266208648682
+O[C@H]1CCC[NH+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1,-1.2834457159042358
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.250413417816162
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3852136135101318
+Cc1ccc(N(C)C(=O)C2CCN(c3ccccc3)CC2)cn1,-1.024212121963501
+COC(=O)c1ccc(C(=O)N2CCC3(CCOCC3)C2)cc1,-1.500856876373291
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9935873746871948
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0770524740219116
+C[NH+]1CCCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1,-1.3081732988357544
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cc2)CC1,-1.1771278381347656
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2872146368026733
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1,-0.8670084476470947
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)ccc1Br,-0.8752697110176086
+Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0205636024475098
+C[NH+]1CCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.326094150543213
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5086519718170166
+Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.5148648023605347
+Fc1ccc(NC[C@H]2CCCO[C@H]2c2cccc(Cl)c2)cc1,-1.2686707973480225
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-0.9996890425682068
+O=C(Nc1ccc(Cl)c(F)c1)C1CCN(C(=O)[O-])CC1,-0.9384336471557617
+CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1F,-1.1198874711990356
+Cc1nnc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)s1,-0.7217757701873779
+Cc1cc(F)ccc1OCc1noc(-c2ccc(Cl)cc2)n1,-0.8533359169960022
+Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1F,-1.253025770187378
+O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,-1.0004241466522217
+Cc1ccc(-c2ccc(C(=O)Nc3ccncc3F)cc2)cc1,-1.0991250276565552
+CCc1ccc(CNC2CCC(C(C)C)CC2)cc1,-1.5850121974945068
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0703002214431763
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.5312762260437012
+c1cc2c(cc1N[C@@H]1CC[NH+](C[C@@H]3CCCO3)C1)CCCC2,-1.3378572463989258
+Cc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.1400583982467651
+N#Cc1ccc(NC(=O)c2ccc(N3CCCC3)nc2)cc1,-1.293147325515747
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975704312324524
+CCN1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1=O,-0.8608827590942383
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CCOCC1,-1.0654250383377075
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1,-1.4513542652130127
+C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)C1,-1.3036764860153198
+Cc1cccc(NC(=O)N2CCC(c3ccccc3F)CC2)c1,-1.038124918937683
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0788044929504395
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.720525860786438
+[NH3+]CCC[C@@H]1CCCCN1C(=O)NCc1ccccc1,-1.5772775411605835
+CC(=O)N1CCC(NC(=O)c2cccc3ccccc23)CC1,-1.209909439086914
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3088629245758057
+Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)no1,-1.2070692777633667
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.181215763092041
+C[C@@H]1CCC[C@H](C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)C1,-1.3869270086288452
+Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(O)c2)o1,-1.3547799587249756
+CCCC(O)=Nc1cccc(C(=O)NCC2CCOCC2)c1,-1.569026231765747
+C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](C)C2)CCN1c1ccccc1,-1.199965238571167
+CCn1nnnc1CN1CC(Cc2ccccc2)C1,-1.3937439918518066
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.0901576280593872
+O=C(N[C@@H]1CCO[C@H]1c1cccc(Cl)c1)[C@H]1CCCCC[C@H]1O,-1.0593453645706177
+CCC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)C)C1,-1.6310466527938843
+O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ccccc2)CC1,-1.132384181022644
+O=C(NCc1ccccc1)Nc1cccc(Br)n1,-1.5344061851501465
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208231210708618
+Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)n(-c2ccc(F)cc2)n1,-1.1176012754440308
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.3630173206329346
+Nc1ccc(-c2ccccc2)c(OCc2ccc(F)cc2)c1,-1.2508624792099
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-0.9840622544288635
+O=C1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)N1,-1.4253661632537842
+Clc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.075899600982666
+Cc1nn(C)cc1C(=O)Nc1ccc(CC(F)(F)F)cc1,-0.8902148008346558
+O=C(c1ccc(F)cc1Br)N1CCC[C@H](Cc2ccccc2)C1,-0.8739150762557983
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)on1,-1.0053514242172241
+CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@H](C)O3)CC1,-1.205513834953308
+Oc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.505507469177246
+CC1CC[NH+]([C@@H](CC(=O)NC[C@H]2CCCO2)C(C)C)CC1,-1.41668701171875
+C[C@@H]1CCCCN1C(=O)NC1CCC(c2ccc(Cl)cc2)CC1,-0.8996315002441406
+C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1,-1.0779986381530762
+C[NH+]1CCC(NC(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.0166313648223877
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604646444320679
+O=C(NC[C@H]1CCCO1)Nc1ccc(Cl)cc1Br,-1.3280634880065918
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.620074987411499
+CC(C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)C)C1,-1.4388810396194458
+Cc1ccc(C(=O)NC2CC(O)(c3ccccc3)C2)cc1,-1.5399532318115234
+Cn1cc(NCCc2ccccc2)c(-c2ccc(F)cc2)n1,-1.3103855848312378
+Fc1ccc(OCCc2nc(-c3ccc(F)cc3)no2)cc1,-1.187599539756775
+O=S1(=O)CCC(NCc2ccc(-c3ccccc3)s2)C1,-1.5170320272445679
+O=C(NCc1cccc(Br)c1)N[C@H]1CCCOC1,-1.5693845748901367
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060161590576172
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9469977021217346
+CC1(O)CCN(C(=O)c2csc(CC3CCCCC3)n2)C1,-1.1691604852676392
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-1.0688437223434448
+CC1(C)[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCO[C@H]1c1ccccc1,-1.2295655012130737
+c1ccc(Cc2nc(-c3ccccc3-c3ccccc3)no2)cc1,-1.2077611684799194
+Cc1cc(NC(=O)Cc2ccc(-n3cccn3)cc2)n[nH]1,-1.3219916820526123
+Cc1ccccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1,-1.1460644006729126
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9334174990653992
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3433371782302856
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6249358654022217
+COc1ccc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.3912099599838257
+CC(=O)Nc1ccc(C(=O)N2CC(C)NC(C)C2)cc1,-1.1594794988632202
+O=C(C[NH+]1CC[NH+]2CCC[C@H]2C1)NCc1ccc(F)cc1,-1.3441307544708252
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1261405944824219
+Fc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1561598777770996
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.5633705854415894
+Cc1ccc2cc(C(=O)NCc3ccc(O)cc3)sc2c1,-1.108890414237976
+O=C1CC[C@@H](Cc2ccccc2)N1Cc1ccc(O)cc1,-1.5236265659332275
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)[nH]1,-1.0495250225067139
+O=C(N[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(F)cc1,-1.151063323020935
+c1cc(C[NH+]2CCC3(CCC3)C2)ccc1C[NH+]1CCOCC1,-1.5573854446411133
+CC1(O)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.2839292287826538
+Cc1ccc(C2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.084733486175537
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2nccn2c1,-1.0627254247665405
+O=C(NCc1cccc2ccccc12)[C@@H]1CCC(F)(F)C1,-1.0692110061645508
+O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2[nH]1,-1.134200096130371
+Clc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1Br,-0.944635272026062
+CN1CCN(c2ccccc2)C1=O,-1.7760621309280396
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3779234886169434
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9649317860603333
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cn2)CC1,-1.047819972038269
+Cc1ncsc1CNC(=O)N[C@@H]1CCC[C@@H](C)C1,-1.2414531707763672
+O=C(Cc1ccc(F)cc1F)NCc1ccc(F)c(Br)c1,-0.8475441336631775
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.1105855703353882
+C[C@@H]1C[NH+](C2CCCCC2)CCN1C(=O)Nc1ccc(Cl)cc1,-0.9199967980384827
+CC1CCCCC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.013175129890442
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.184579849243164
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccoc2)CC1,-1.1180275678634644
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1438524723052979
+O=C(NCC1CC1)N1CC[C@H](c2ccccc2)C1,-1.6640251874923706
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0662447214126587
+Nc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.4910531044006348
+Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.2842319011688232
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.24558424949646
+CC(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.4252405166625977
+C[C@@H]1C[NH2+]CC[C@H]1C(=O)Nc1cccc(-c2ccc(O)cc2)c1,-1.1092933416366577
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.4595043659210205
+Nc1ccc(N2CCC(COc3ccc(F)cc3)CC2)cc1,-1.2761569023132324
+O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2s1,-1.0076885223388672
+Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C(C)(C)C)c(C)c1,-1.1356409788131714
+O=C(Nc1ccc(F)cc1)c1ccccc1Cl,-1.4273922443389893
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Br)c1)CC2,-0.6388845443725586
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cn1,-1.2485241889953613
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5293912887573242
+Cn1cc(NC(=O)CC2CCCCC2)c(C2CCCC2)n1,-1.3260412216186523
+Cc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cn1,-0.975905179977417
+O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.4609136581420898
+CCOc1ccc(NC(=O)c2nnc(C)s2)cc1,-1.3418904542922974
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)nc1Cl,-0.7876491546630859
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1448684930801392
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1874531507492065
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577829122543335
+O=C([C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7733431458473206
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)s1,-0.8497332334518433
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781577825546265
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0818088054656982
+O=C(NCC1CCCCC1)Nc1ccc(O)cc1,-1.6681597232818604
+Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9774693846702576
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.055912971496582
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2982197999954224
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0080327987670898
+CCc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.6003327369689941
+CCc1ccc(C(=O)N[C@H]2CCOC3(CCCCCC3)C2)cc1,-1.4914251565933228
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)n1,-0.8398217558860779
+O=C(NC1CCCCCC1)c1ccccc1-c1ccc(F)cc1,-1.1860830783843994
+C[C@@H]1CN(C(=O)C2CCC2)CC[NH+]1Cc1ccc(Br)cc1,-1.0022132396697998
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8728013634681702
+CC(C)(O)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.5573755502700806
+O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.1945621967315674
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.26338791847229
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9652541875839233
+CC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1,-1.1621283292770386
+O=C(NCC1CC1)N1CCN(c2cccs2)CC1,-1.6059199571609497
+c1ccc2[nH]c(-c3ccc(NCC[NH+]4CCOCC4)cc3)nc2c1,-1.1537936925888062
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0515328645706177
+Cc1cc(CC(=O)Nc2nnc(-c3ccccc3)s2)no1,-1.1382248401641846
+Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1C,-1.5139840841293335
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1123334169387817
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(F)cn2)CC1,-0.9245953559875488
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.221618890762329
+Nc1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.088992714881897
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547828912734985
+O=C(NC(=O)N1CC[C@@H](C2CC2)C1)c1cccc(F)c1,-1.1518622636795044
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2186254262924194
+Cc1ncc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1,-1.1341420412063599
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1295729875564575
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1,-1.2174150943756104
+CN(CCO)C(=O)NC1CCN(c2ccccc2)CC1,-1.5653038024902344
+Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccccc2F)cc1,-1.0744715929031372
+CN1CC[NH+](C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.166212797164917
+CCc1ccc(C(N)=O)cc1,-1.9207088947296143
+O=C(Nc1ncccc1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.9211164116859436
+O=C(Nc1ccc(Cl)cc1F)C1CC[NH+](C2CCOCC2)CC1,-0.9789262413978577
+Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C)CC2)cc1,-1.0385615825653076
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0955722332000732
+Cc1cccc(CNC(=O)N2CCOC3(CCCC3)C2)c1,-1.5769484043121338
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-1.03726065158844
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3395602703094482
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0358084440231323
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0688135623931885
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731313228607178
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1260379552841187
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3362842798233032
+CC(C)C(=O)NCc1ccc(N2CCN(C)C2=O)cc1,-1.1699682474136353
+C[C@H]1CCC[C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.4299033880233765
+Cc1ccc(C2(C(=O)N[C@H]3CCC[C@H](F)C3)CCC2)cc1,-1.2114156484603882
+Cc1ccc(C(=O)N2CCC(NC(=O)CCCN)CC2)cc1,-1.26030695438385
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)C)CC2)cc1,-1.4504379034042358
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1,-1.121275782585144
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4710772037506104
+CC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccccc2)CC1,-1.530754804611206
+COc1ccc(CNC(=O)[C@@H](C)C(F)(F)F)cc1Cl,-0.9877561330795288
+O=C(Nc1ccccc1F)N1CCN(c2ccc([O-])cc2)CC1,-1.0653997659683228
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(N)c1,-1.1221023797988892
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.2191667556762695
+c1ccc(CN2CCC(c3nnnn3-c3ccccc3)CC2)cc1,-1.0847963094711304
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.2828311920166016
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-1.0040397644042969
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1314001083374023
+O=C(Nc1ccc(F)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1536539793014526
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)c(F)c1,-0.9536144137382507
+O=C(NC1CCC(C2CC2)C1)c1conc1C1CCCC1,-1.0682592391967773
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc2ccccc2[nH]1,-1.239616870880127
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1962387561798096
+O=C(Nc1ccc(Br)cc1)N1CCC(N2CCCC2=O)CC1,-0.979462206363678
+O=C(CCc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.5068929195404053
+O=C(Nc1ccc(F)cc1F)[C@H]1CCCC[NH+]1C1CCCCC1,-0.8270593285560608
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5677796602249146
+C[NH+]1CCC[C@@H](CNC(=O)N2CCC3(CCOCC3)C2)C1,-1.5999361276626587
+CCc1ccc(CNC(=O)c2ccc(Br)[nH]2)cc1,-1.4887855052947998
+Cc1cc(NC(=O)c2ccoc2)n(-c2ccc(F)cc2)n1,-1.1286145448684692
+CC1(NC(=O)c2cnn(-c3cccc(F)c3)c2)CCCC1,-1.2511757612228394
+Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C,-1.078115463256836
+O=C(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.8744300603866577
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.3329623937606812
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c1,-1.1808247566223145
+NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1,-1.147244930267334
+Cc1nocc1C(=O)N1CC[NH+](CCc2cccc(Br)c2)CC1,-0.9488650560379028
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1334627866744995
+Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1,-1.2343063354492188
+CC(C)(C)CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.2560867071151733
+Oc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.3868486881256104
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0310078859329224
+CC1CC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1,-1.3550790548324585
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2827318906784058
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0663254261016846
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.5214234590530396
+CC(C)C(C)(C)NC(=O)N1CCC(c2ccccc2)CC1,-1.2610063552856445
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9626047015190125
+Cc1nc(CN2CC[NH+](Cc3ccc(F)cc3F)CC2)cs1,-0.7837910652160645
+CN1CCN(c2ccc(NCc3cccc(F)c3)cc2)CC1,-1.371989130973816
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(N)cc3)s2)o1,-0.9111781716346741
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2113988399505615
+CC1CC2(CCO1)CN(C(=O)c1ccc(C(C)(C)C)cc1)CCO2,-1.2642097473144531
+C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1310498714447021
+C[NH+]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.2564992904663086
+NC(=O)Cc1ccc(Cl)cc1,-1.8176488876342773
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6901804208755493
+O=C(NCCC(=O)N1CCCCC1)c1cc2ccccc2[nH]1,-1.3163169622421265
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9424560070037842
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.5323898792266846
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.1044046878814697
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.3839837312698364
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.085408091545105
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.441861867904663
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(O)ccc1Cl,-1.0052952766418457
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.562015175819397
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.897559404373169
+C[C@H]1C[C@H](CN2CC[NH+](Cc3cccc(F)c3)CC2)CCO1,-1.4343245029449463
+O=C(NC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccc(F)cc1,-0.9941725730895996
+C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1,-1.1168160438537598
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)c1cc(-c2ccccc2)ns1,-1.019944667816162
+O=C(Nc1ccc(C2CCCCC2)cc1)N1CCN=C(O)C1,-1.2749508619308472
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.8410866260528564
+CC[NH+]1CCN(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)CC1,-1.0474722385406494
+c1ccc(-c2nc(-c3ccc(CN4CCNCC4)cc3)no2)cc1,-1.1734157800674438
+O=C(Nc1cc(O)ccc1Cl)c1ccc(-c2ccccc2)cc1,-1.0536059141159058
+O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1,-1.1361297369003296
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.9602541923522949
+CC1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2296947240829468
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9559786915779114
+CC(C)CC(=O)C1CCN(C(=O)Nc2ccccc2F)CC1,-1.1425350904464722
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8608449101448059
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903775215148926
+O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1F,-0.7142126560211182
+O=C(c1cccc(F)c1)N1CCN(C(=O)C2CCCC2)CC1,-1.1698496341705322
+Cc1cc(CNC(=O)c2ccc3[nH]ncc3c2)ccc1Br,-0.861372709274292
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-0.9580939412117004
+Cc1ccccc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1,-1.1877868175506592
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536246299743652
+O=C(NCc1cccc2ccccc12)c1cc2ccccc2o1,-1.0906858444213867
+N#Cc1cc2c(cc1CNCc1cccc(F)c1)CCC2,-0.9990280270576477
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1,-0.4624255895614624
+CCOc1ccc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)cc1,-1.2704322338104248
+Cc1ccc(NC(=O)NCC2CCOCC2)cc1,-1.6753389835357666
+CC(=O)N1CCN(Cc2ccc(-c3ccccc3F)cc2)CC1,-1.0806852579116821
+O=C(N[C@@H]1CC[C@H]2CCC[NH+]2C1)c1ccc(-c2nc[nH]n2)cc1,-0.9288044571876526
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.032495379447937
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1,-1.0889812707901
+Nc1cccc(C(=O)Nc2ccc(-c3ccccc3)nc2)c1F,-0.9313367605209351
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1828364133834839
+Cc1cc(NCc2ccccc2Br)n(-c2ccc(N)cc2)n1,-0.8164387345314026
+COc1ccc(C(=O)NCc2cc(C)no2)cc1,-1.6191270351409912
+Cc1ccc(NC(=O)c2ccc(-c3nccn3C)cc2)c(C)c1,-0.9079830646514893
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cn1,-1.330233097076416
+O=C(CCc1ccccc1)Nc1cccc(-c2ccccc2)n1,-1.4901357889175415
+Fc1ccc(-c2cccnc2NCc2ccc(Br)cc2)cc1,-1.0518605709075928
+Cc1sccc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2F)C1,-0.6466401219367981
+c1ccc(CN2CCN(c3nc(-c4ccccc4)no3)CC2)cc1,-1.4143738746643066
+CC1CN(c2ccc(OCc3ccc(Cl)cc3)cc2)CCN1,-1.169657826423645
+Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1,-1.3654637336730957
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1,-1.0906836986541748
+Cc1cccc2cc(C(=O)NCC3CC[NH+](C)CC3)[nH]c12,-1.0476781129837036
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1013760566711426
+c1ccc([C@H]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)C2)cc1,-1.014281153678894
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1,-1.2324501276016235
+Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)c(C)c1,-1.1289300918579102
+NC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1,-1.1142125129699707
+Cc1c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)oc2ccccc12,-0.9703658223152161
+O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2,-1.0996695756912231
+CN(CCC(=O)c1ccccc1)C(=O)Cc1ccc(F)cc1,-1.4423329830169678
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.368796706199646
+C[C@@H]1CN(C(=O)c2ccccc2F)CC[NH+]1Cc1ccccc1,-1.081444501876831
+O=C(CCc1ccccc1)NCC[NH+]1CCc2ccccc2C1,-1.4913517236709595
+C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)CC[NH+]1C,-1.4835407733917236
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.4075597524642944
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1785963773727417
+CCCNCc1ccccc1OC1CCN(C)CC1,-1.6212297677993774
+CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.2087457180023193
+Cc1ccc(NCc2cccc(N3CCN(C)CC3)c2)cc1,-1.3614345788955688
+Cc1ccccc1C(=O)Nc1ccc(Cl)cc1-c1ccccc1,-1.0897166728973389
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0272066593170166
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.202449083328247
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1938831806182861
+O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5405632257461548
+CC1(NCc2cccc(F)c2)CCN(c2ccccc2)CC1,-1.5257060527801514
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1,-1.0863009691238403
+Cc1ccc(CNC(=O)N2CCc3nc(C)sc3C2)cc1,-0.7999171614646912
+CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1,-1.568977952003479
+O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.482613444328308
+Cc1nc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)cs1,-0.967731237411499
+CC[NH+]1CCN(C(=O)Cc2ccc(-c3noc(C)n3)cc2)CC1,-0.9976105093955994
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.9794545769691467
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.9864230155944824
+O=C(NCC(O)=NCCc1ccc(O)cc1)c1ccccc1,-1.5863163471221924
+O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.015127420425415
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1084879636764526
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](F)C1,-1.6362048387527466
+N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.3168551921844482
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1CC1CCOCC1,-1.3304295539855957
+CC(=O)Nc1ccc(C(=O)N2CC(C)SC(C)C2)cc1,-1.0839060544967651
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2224743366241455
+Cc1nc(NC(=O)c2sccc2-c2ccc(F)cc2)cs1,-0.9363084435462952
+Cc1ccc(F)c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1,-1.0594795942306519
+CC1(C)C[C@H](CNC(=O)CCCc2ccccc2)CCO1,-1.6325076818466187
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.482082486152649
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.16802978515625
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-0.9854657649993896
+O=C(Cc1ccc(Cl)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.6744861602783203
+CCOc1ccc(N2CCN(C(=O)C(C)(C)F)CC2)cc1,-1.2173938751220703
+CC(C)CCC(CNC(=O)c1ccc(Br)cc1)c1ccccc1,-1.1812750101089478
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.186592698097229
+C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2cccc(Br)c2)C1,-1.3140063285827637
+Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)[nH]1,-0.8659178614616394
+CN1CC[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1=O,-1.1218533515930176
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1846003532409668
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.9042449593544006
+O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.3145164251327515
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1C,-1.2030092477798462
+O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0244452953338623
+Cc1ccc(CNCc2c(C)csc2[N+](=O)[O-])cc1,-1.2953763008117676
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517522811889648
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3304823637008667
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2774155139923096
+O=C(N[C@H]1CC[NH+](C2CCOCC2)C1)c1cc2c([nH]1)CCCC2,-1.0563247203826904
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0365617275238037
+CC(C)N1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.155841588973999
+O=C(O)Cc1ccc(F)cc1,-1.8854734897613525
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2ccc(C)[nH]2)cc1,-1.3086622953414917
+CC1(C)CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C1,-1.2645928859710693
+O=C(Nc1ccc(Cl)cc1F)c1ccccc1,-1.429957628250122
+Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(O)c1,-1.0710127353668213
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273616313934326
+Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1,-1.0547348260879517
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.0961247682571411
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9093117713928223
+CCc1ccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1,-1.4767122268676758
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1,-1.4140205383300781
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2024314403533936
+C[C@H]1CN(C)[C@H](c2ccccc2)C[C@@H]1NC(=O)c1ccccc1,-1.2281715869903564
+C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.73469078540802
+Cc1ccc(CCN2CCN(C(=O)c3ccccc3)CC2)cc1,-1.4344253540039062
+Cc1cc(CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1Br,-1.270000696182251
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.8400917649269104
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3715153932571411
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.0415258407592773
+C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(C)O)cc2)C1,-1.470582127571106
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0833888053894043
+O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1,-1.0565546751022339
+Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.446750521659851
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.2122912406921387
+O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1,-1.2400586605072021
+Cn1cc(NC(=O)[C@H]2CCC[C@H]2c2cccc(Cl)c2)cn1,-1.0803078413009644
+Oc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.444934368133545
+Cn1nccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1,-0.526321291923523
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273500084877014
+Fc1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1,-1.17316472530365
+Cc1cc(N)ccc1C(=O)NCC[NH+]1C[C@@H](C)O[C@@H](C)C1,-1.1971263885498047
+O=C1CCc2cc(CNCC[NH+]3CCOCC3)ccc2N1,-1.4813593626022339
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1O,-1.1492743492126465
+O=C(COc1ccc(F)cc1)Nc1csc2cccnc12,-1.1755623817443848
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.4524785280227661
+O=C([O-])[C@@H]1CCCN(C(=O)N2CC[C@H](c3ccccc3)C2)C1,-1.31621253490448
+O=C(c1c[nH]c2ccccc12)N1CCC[C@H]1Cc1ccccc1,-1.1038116216659546
+O=C(Nc1cccc(F)c1)N1CCN(CC(F)(F)F)CC1,-1.0297586917877197
+[NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6569080352783203
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1,-1.0928640365600586
+O=C(NC1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.7158981561660767
+Cc1ccc(NC(=O)NCC2CCOCC2)cn1,-1.6456466913223267
+O=C(N[C@H]1CCCO[C@H]1C1CCCCC1)c1ccc(F)cc1O,-1.0806095600128174
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.110832929611206
+O=C(c1ccncc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9398676156997681
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908035278320312
+C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.999244749546051
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.5750192403793335
+O=C(N[C@H]1CCC[C@H]1c1ccccc1)N1CCc2ccsc2C1,-0.9639384150505066
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1,-1.0373761653900146
+O=C(NCc1ccc(F)c(Br)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8765599131584167
+Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1O,-0.6049748063087463
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0842958688735962
+O=C(c1ccc2oc(=O)oc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.8171975612640381
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cc(C)no2)cc1,-1.2926441431045532
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8891968131065369
+O=C(NC1(c2cccc(Cl)c2)CCC1)c1ccc(F)cc1,-1.1498067378997803
+COc1cc(C)c(NC(=O)N2CCOC(C)(C)C2)cc1Br,-1.0534523725509644
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(N)c1,-1.0531959533691406
+O=C(c1ccc(Cl)cc1)N1CCC(c2nc(O)c3ccccc3n2)CC1,-0.3797672390937805
+Cc1cc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)no1,-1.4354983568191528
+C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-0.8967114686965942
+CCC(C)(O)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.579721212387085
+Brc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1I,-1.0658704042434692
+Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3o2)cc1,-1.0156371593475342
+Cc1nocc1C(=O)NC1CCN(c2ccc(F)cc2F)CC1,-0.7101135849952698
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053716659545898
+O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9196203947067261
+Nc1ccc(C(=O)N[C@H]2C[C@@H](c3ccc(F)cc3)C2)cn1,-1.0285629034042358
+CC[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2F)CC1,-1.1046791076660156
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)N2CCC[C@@H](C)C2)o1,-1.3315898180007935
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695114135742188
+O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.075348973274231
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1O,-1.3524478673934937
+Cc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9040189385414124
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5352105498313904
+Cc1ccc(NC(=O)c2cc(-c3ccccc3)ncc2C)cc1,-1.163780927658081
+O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.408367395401001
+O=C(c1cc(O)ccc1O)N1CCC(Cc2ccccc2)CC1,-1.2189635038375854
+Cc1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1,-1.4585508108139038
+C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCC[NH+]3C)ccc2O1,-1.134403944015503
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Br,-1.2095352411270142
+O=C(CN1CCCCC1)Nc1cc(-c2ccccc2)ccc1F,-1.4231101274490356
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(O)cc1,-1.454593300819397
+C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccn(C)n1,-1.4307760000228882
+[NH3+][C@H](CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1,-1.5179128646850586
+Cc1cc(N)ccc1C(=O)Nc1ccccc1-c1ccccc1,-1.065016269683838
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.5171594619750977
+C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.4226492643356323
+Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3770239353179932
+C=C(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.388530969619751
+Cc1ccc(-c2ncccc2NCc2ccc(F)cc2)cc1,-1.1295554637908936
+CC1(O)CN(C(=O)Nc2ccc(C3CCCCC3)cc2)C1,-1.5329039096832275
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9813929796218872
+CC1COC2(C1)CN(C(=O)NCc1ccccc1)CCO2,-1.6627676486968994
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0307848453521729
+CN1CCN(CC(=O)NCCc2ccc(F)cc2)C1=O,-1.5099682807922363
+Oc1cccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1,-1.4824661016464233
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cn1,-0.9971398115158081
+Cc1nn(C)cc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1,-0.7600948810577393
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255470275878906
+O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)on1,-0.9554011225700378
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5431318283081055
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.671057105064392
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3C)C2)cc1,-1.199752688407898
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.7204780578613281
+CC1(C)CC(C(=O)N[C@H]2CCCC[C@H]2C2CCOCC2)C1,-1.3269364833831787
+Cc1ccc(C(=O)N[C@H]2CCCC[C@H](c3ccccc3)C2)cc1,-1.2898776531219482
+CCCCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1,-1.2535163164138794
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.026723861694336
+C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-1.045299768447876
+O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.5527640581130981
+Nc1nc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0523386001586914
+Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.0301610231399536
+CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.2049959897994995
+Oc1cc(-c2ccccc2)nc(SCc2cccc(F)c2)n1,-1.0067100524902344
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1563388109207153
+Cc1cnc(N=C(O)C2CCN(C(=O)COc3ccccc3)CC2)s1,-1.0284252166748047
+Cc1ccc(OC(=O)OCc2ccccc2)cc1,-1.7069076299667358
+Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1C(=O)O,-1.215124487876892
+CC(C)(CCc1ccccc1)NC(=O)c1ccc(N)cc1,-1.5360846519470215
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.0983624458312988
+O=C(NC[C@H]1CCC[C@@H](F)C1)N1CCOC2(CCCC2)C1,-1.5170347690582275
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)nc1,-0.915367066860199
+Nc1cc(Br)ccc1C(=O)NCc1ccc2c(c1)OCO2,-0.9748489260673523
+Oc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.0242544412612915
+CC[NH+]1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-0.9897080063819885
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1,-1.5366255044937134
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccc(O)nc1,-0.9579616785049438
+Cc1nc(-c2ccc(NC(=O)Cc3cncs3)cc2)n[nH]1,-1.047475814819336
+C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1,-1.100387692451477
+C[C@H]1CCCCCN1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.0808279514312744
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-0.9276960492134094
+CC1CN(C(=O)COc2cc(Cl)ccc2CN)CC(C)O1,-1.088794469833374
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(N2CCCCC2)cc1,-0.978449821472168
+Cc1cc(F)ccc1NC(=O)[C@H]1CCC[NH+](C2CCOCC2)C1,-1.056641697883606
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1700713634490967
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8370093107223511
+O=C1CCCN1c1ccc(F)cc1,-1.7415777444839478
+C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1,-1.0926272869110107
+C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.2507966756820679
+C[C@@H](CC(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1,-1.4028342962265015
+Cc1cc(NC(=O)c2ccc(Br)cc2)n(C2CCCC2)n1,-0.9255717396736145
+C[C@@H]1CN(C(=O)C2CCC[NH2+]CC2)CC[NH+]1Cc1ccccc1,-1.3094488382339478
+CC(C)(Cc1ccccc1)C(=O)NCc1cccc(Cl)n1,-1.3200377225875854
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)C1,-0.9762387871742249
+Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCCC2)cc1,-1.0412460565567017
+Cc1ccc(-c2nn(C)cc2CN(C)c2ccccc2)cc1,-1.100136637687683
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3906238079071045
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.4567499160766602
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.069549560546875
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1,-1.1249781847000122
+O=C(CCc1ccc(O)cc1)NCc1ccc(I)cc1F,-1.1020451784133911
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0156223773956299
+Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1,-0.9880170226097107
+Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1,-1.1131547689437866
+Cc1cccc(N2CC[C@@H](NC(=O)c3ccn(C)n3)C2)c1,-1.1278516054153442
+O=C(Cn1nnc2ccccc2c1=O)NCc1ccccc1,-1.124291181564331
+Cn1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1634414196014404
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4267590045928955
+COc1ccc(NC(=O)c2cc3ccccc3c(O)n2)c(C)c1,-0.8305513262748718
+FC(F)(F)c1ccc(Cc2nc(-c3ccccc3)no2)cc1,-1.2045962810516357
+Cc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3709771633148193
+O=C(Nc1ccc(Br)cc1)c1ccccc1F,-1.4110634326934814
+Cc1nc(-c2ccc(C(=O)NCCC(C)(C)O)cc2)n[nH]1,-1.1795258522033691
+O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4973400831222534
+C[C@@H]1CCCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1,-1.3748465776443481
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-1.0686639547348022
+CC(C)(C)CNC(=O)C1(C)CC[NH+](CCC(=O)[O-])CC1,-1.599027156829834
+O=C(N[C@@H]1CCO[C@H](C2CCCC2)C1)c1ccc2[nH]ccc2c1,-1.1772196292877197
+NC(=O)C(=O)Nc1ccc(F)cc1,-1.7661056518554688
+Cc1noc(-c2cccc(NC(=O)c3cc(C)sn3)c2)n1,-0.9257221221923828
+COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.190685749053955
+Cc1ccccc1C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1,-1.1514053344726562
+Nc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1,-1.0616955757141113
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0767511129379272
+O=C(N[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(F)cc1F,-1.040035367012024
+C[C@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.3757022619247437
+Cc1ccc2[nH]c(C(=O)NCc3ccc(I)cc3)cc2c1,-0.974185049533844
+O=C(NC[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(F)c(F)c1,-1.0355008840560913
+CCOc1ccc(C(=O)N2CC[C@H](CCCO)C2)cc1,-1.577483892440796
+Cc1cc(N2CCOCC2)ccc1C(=O)Nc1ccc(Cl)cc1,-1.033239722251892
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCO[C@H]1c1ccccc1,-1.0634468793869019
+C[NH+]1CCCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.068048119544983
+Cc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cn1,-0.9985724687576294
+C[NH+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)C1,-1.3299996852874756
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9466695189476013
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0585349798202515
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1,-1.1963932514190674
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4026479721069336
+C[NH+]1CCN(C[C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)CC1,-1.4479990005493164
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.143277883529663
+C[C@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCO1,-1.2560889720916748
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1996055841445923
+O=C(c1ccccc1Br)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9543672800064087
+Cc1ccc(CC(=O)NCc2ccc(C#N)cc2)cc1,-1.5669347047805786
+CCOc1ccc(N=C(O)N(C=O)Cc2ccccc2)cc1,-1.5989254713058472
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8125555515289307
+Cc1nocc1C(=O)N1CC[C@](O)(Cc2ccccc2)C1,-1.5056782960891724
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0457100868225098
+Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1,-1.3041936159133911
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1,-1.0780330896377563
+O=C1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)N1,-1.3272489309310913
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.3767122030258179
+O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1cc2ccccc2s1,-1.0429574251174927
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0401374101638794
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0387290716171265
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2329565286636353
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.7914950847625732
+O=C(Cc1cccc(Cl)c1)NCc1cc2ccccc2o1,-1.3616423606872559
+C[C@@H]1CC[NH+](Cc2nc(Cc3ccc(Cl)cc3)no2)[C@@H](C)C1,-0.9561179280281067
+Cc1cc(Cl)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0764890909194946
+CCOc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])C2)cc1,-1.6148576736450195
+C[NH+]1CCN(c2ccc(C(=O)NC(C)(C)CF)cc2)CC1,-1.2267634868621826
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.4993678033351898
+CC1CCN(C(=O)NCC(=O)c2ccc(F)cc2)CC1,-1.2649643421173096
+O=C(N[C@H]1CCCCC1=O)[C@@H]1CCCN(c2ccccc2)C1,-1.418811559677124
+CC(=O)N[C@H]1CCN(C(=O)CCc2ccc(Br)cc2)C1,-1.305910587310791
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.5491482615470886
+Cc1cc(F)ccc1N=C(O)CC1CCN(Cc2ccc(F)cc2)CC1,-0.8150765895843506
+Cc1ccccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1,-1.162019968032837
+O=C(c1ccc2c(c1)CCCCN2)N1CCN(c2ccc(F)cc2)CC1,-0.732352614402771
+C[C@@](O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.1815268993377686
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.254836082458496
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2n1,-0.46318528056144714
+Cc1nc(-c2ccc(NC(=O)[C@H]3CC[NH+](C)C3)cc2)no1,-1.165993332862854
+Cc1ccc(N2CCN(C(=O)c3ccc4ccc(C)cc4n3)CC2)cc1,-0.6001220941543579
+Cc1ccc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1,-0.8021484613418579
+O=C(NC[C@@H](O)Cc1ccccc1)N1CCC2(CCC2)C1,-1.5885423421859741
+CCc1ccc(NC(=O)NCCC(C)(C)O)cc1,-1.732958436012268
+CC(C)CN=C(O)CCN1CCOCC1,-1.8227369785308838
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9574904441833496
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2102491855621338
+O=C(NCc1ccccc1)c1ccc2c(c1)CC(O)CC2,-1.3645877838134766
+CCOc1cccc(NC(=O)N2CCCCC[C@H]2C)c1,-1.5518662929534912
+Cc1nc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)co1,-1.2792408466339111
+OC1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.3062351942062378
+O=C(c1ccc2ccc(F)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.675159752368927
+C[NH+]1CC[C@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1,-1.0602009296417236
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1Cl,-0.9884555339813232
+Cc1ccc(NC(=O)c2ccc(N3CCCC[C@H]3C)cc2)cc1,-1.1231725215911865
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CC[C@H]1Oc1ccccc1,-1.3542989492416382
+Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1C,-1.0308512449264526
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114449739456177
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0627210140228271
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)CC1)c1ccccc1,-1.1835509538650513
+Cc1ccccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.2113627195358276
+O=C(Nc1ccc(Cl)cc1F)c1cccc(N2CCCCC2)c1,-0.9627401828765869
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9000336527824402
+Nc1cccnc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0922921895980835
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1238374710083008
+CN1CCC(NC(=O)c2cccc(-c3ccccc3)c2)C1=O,-1.3314539194107056
+Cc1nn(C)c2cc(C(=O)NCc3ccccc3)ccc12,-1.008967399597168
+NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1,-1.201185941696167
+[O-]c1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.066751480102539
+COc1ccc(CC(=O)Nc2cc(Br)c(C)cc2C)cc1,-0.9814313650131226
+Clc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.2355252504348755
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.190316081047058
+O=C(NCCn1cccn1)c1csc(C2CC2)n1,-1.3030381202697754
+O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-0.9962825179100037
+Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8985937237739563
+O=C(c1cccc(Cl)c1F)N1CCC(Cc2ccccc2)CC1,-0.9119978547096252
+Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)ccc1O,-1.5197771787643433
+O=C(N[C@H]1CCC(F)(F)C1)c1conc1-c1ccccc1,-1.1732892990112305
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1292221546173096
+O=C(NCc1cccc(O)c1)[C@@H](O)CCc1ccccc1,-1.5878149271011353
+CCc1ccccc1C(=O)N1CCN(c2cccc(C)c2)CC1,-1.0769102573394775
+Cc1ccc(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.486565351486206
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3280854225158691
+Nc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.4908818006515503
+CC1CN(c2ccc(CNC3CCCCC3)cc2)CC(C)O1,-1.52317214012146
+CC1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2825275659561157
+CC(C)(CCc1ccccc1)C(=O)NCc1ccccc1,-1.6529598236083984
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.304721713066101
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.1315754652023315
+CC(C)(C)c1cccc(NC(=O)N2CCCC(=O)C2)c1,-1.372520089149475
+Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c(C)c1,-1.1544439792633057
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1202300786972046
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.1468658447265625
+COc1ccc(CN)cc1,-1.9505547285079956
+CC(C)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.0944362878799438
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431950330734253
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2077364921569824
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0284379720687866
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255475044250488
+O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-0.9995004534721375
+Nc1ccccc1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9003363847732544
+O=C(Nc1ccc(F)cc1F)N1CCOC[C@@H]1c1ccccc1,-1.066042423248291
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.1007139682769775
+Fc1ccccc1-c1noc(C[NH+]2CC[C@@H](c3ccccc3)C2)n1,-1.0780109167099
+NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4246739149093628
+Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.2022132873535156
+Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCO[C@@H](C)C1,-1.1469234228134155
+Cc1ccc(Nc2ccc(Cc3ccccc3)cc2)c(C)c1,-1.3872872591018677
+Cc1ccc(CN2C(=O)C(C)(N)[C@@H]2c2ccc(F)cc2)cc1,-0.9289391040802002
+CC1CC[NH+](CC(=O)NCC2CCC3(CCO3)CC2)CC1,-1.5603255033493042
+CC1CC(NCc2ccc(Br)cc2)CCN1c1ccccc1,-1.2278636693954468
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.0418055057525635
+CCN1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1,-1.1050235033035278
+O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1,-1.097015380859375
+Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.2099050283432007
+O=C(C[NH+]1CCOCC1)NC1CCN(c2ccccc2F)CC1,-1.2980303764343262
+O=C1CCCN1Cc1ccc(F)cc1,-1.7339000701904297
+Cc1ccc([C@@H]2OCC[C@@H]2NC(=O)C2CCC=CCC2)cc1,-1.4658145904541016
+O=C1CN(Cc2ccc(Br)cc2)CN1Cc1ccccc1,-1.4858030080795288
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5004841089248657
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.2058954238891602
+Cc1ccc(N)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1,-1.0513129234313965
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3F)C2)cc1,-1.1519430875778198
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1883569955825806
+Cc1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1,-1.615791916847229
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2751234769821167
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1,-0.8779596090316772
+CC(C)(O)CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1,-1.5937817096710205
+Cc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1,-1.5101855993270874
+C[C@@H]1CCN(c2ccc(OCc3ccccc3)cc2)C[C@H]1C,-1.338050127029419
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.063076138496399
+O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1,-1.4312258958816528
+C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.47744882106781
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cn1,-1.5350042581558228
+O=C(Nc1cccc(N2CCCCC2)c1)c1cc(Cl)ccc1F,-0.8890628218650818
+CN(C(=O)N1CCC(c2ccccc2)CC1)c1ccc(O)cc1,-1.1617134809494019
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.414638876914978
+O=C(c1ccccc1Cl)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.9665853381156921
+CCOc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)cc1,-1.6389230489730835
+NS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1,-1.045811653137207
+O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1F,-0.9901486039161682
+CC(C)[C@](C)(C(=O)NCc1cccnn1)c1ccccc1,-1.3286734819412231
+Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)c1,-1.4912083148956299
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1130388975143433
+O=C(NCC1CC1)c1scnc1-c1ccccc1,-1.4534631967544556
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(S)cc1,-1.328143835067749
+C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1,-1.2402909994125366
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9009273052215576
+c1ccc2c(c1)CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2,-1.3398338556289673
+O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.541467308998108
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CC[C@H]2OCC[C@@H]2C1,-1.1575032472610474
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0043622255325317
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9594519138336182
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589175581932068
+O=C1CCC[C@@H](NC(=O)c2ccncc2-c2ccccc2)C1,-1.253736138343811
+Cc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)cc3)C2)s1,-1.0708600282669067
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0515214204788208
+C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1,-1.0577313899993896
+O=C(C1CCOCC1)N1CCC[C@H](Oc2ccc(F)cc2F)C1,-1.0496516227722168
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2o1,-1.0211222171783447
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2scnc2c1,-1.103265404701233
+C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1,-1.0275083780288696
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6700258255004883
+O=C(O)c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1,-1.5560318231582642
+Cc1cc(=N)[nH]c(-c2ccc(C(=O)NC(C)C)cc2)n1,-0.9605364203453064
+c1ccc(CN2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2336628437042236
+c1ccc(CN2CC[NH+]3CCN(Cc4ccccc4)CC3C2)cc1,-1.402538537979126
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400192499160767
+CC1CCN(CC(=O)Nc2ccc(C(=O)O)cc2)CC1,-1.5468502044677734
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.5077561140060425
+CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.361242651939392
+CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.2000033855438232
+O=C(NCc1ccc(Br)nc1)c1ccc2c(c1)CCCC2,-0.9655783176422119
+O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)cc1,-1.1182541847229004
+c1cn(C2CCCC2)c(CNCC2CCCCC2)n1,-1.617958426475525
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.329854130744934
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9437161684036255
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1Cl,-1.0055571794509888
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2000532150268555
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8901049494743347
+O=C(c1ccccc1O)N1CC[NH+](Cc2cccc(F)c2)CC1,-1.1531240940093994
+Cc1ccccc1NC(=O)N1CCC(c2ccc(O)cc2)CC1,-1.1431339979171753
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8884641528129578
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.1991431713104248
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1,-1.2338734865188599
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0354104042053223
+C[C@H]1CCCC[NH+]1CCNC(=O)CCc1ccc(F)cc1,-1.4982949495315552
+O=C(NCc1ccc2nc(O)[nH]c2c1)c1ccc(Cl)cc1,-0.9950242638587952
+O=C(Nc1ccc(N2CCNCC2O)cc1)c1ccc(F)cc1,-1.086692214012146
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)nc1,-1.127766489982605
+Cc1ccc(F)c(NC(=O)N2CCN(C3CCCCC3)CC2)c1,-0.9433145523071289
+Oc1cc(-c2ccccc2)nc(CNc2ccc(Br)cc2)n1,-0.9602792859077454
+CC(C)(N)CC(=O)Nc1ccc(OC2CCCCC2)cc1,-1.5491831302642822
+O=C(Nc1ccc(Cl)cc1Br)c1ccc(N2CCOCC2)cc1,-0.9486459493637085
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.339293122291565
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8574241399765015
+O=C(NCC1CCOCC1)Nc1ccc(Br)cn1,-1.5312213897705078
+CC(CN=C(O)N1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1,-1.0454438924789429
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1076816320419312
+CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)cc1,-1.148045301437378
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.12006676197052
+Cc1nc(-c2ccc3c(c2)CN(C(=O)c2cc(Cl)ccc2Br)CC3)no1,-0.22058624029159546
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.1948987245559692
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)cn1,-0.9990236163139343
+COc1ccc(F)cc1NC(=O)N1CCOC2(CCC2)C1,-1.4449870586395264
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531862258911133
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,-0.83045494556427
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)c2cc(C)no2)cc1,-1.2792881727218628
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2565256357192993
+Cc1ccc(C(=O)Nc2ccccc2Cl)c(-c2ccccc2)c1,-0.989740788936615
+COC(=O)c1ccccc1NC(=O)c1ccccc1,-1.5972449779510498
+Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1,-1.4731839895248413
+Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1,-0.7473236918449402
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307263135910034
+NCCCc1ccc(C(=O)NCC2CCCCC2)cc1,-1.5835217237472534
+C[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1,-1.0676381587982178
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.0457316637039185
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1O,-1.012593150138855
+CCc1ccc(NC(=O)N2CCCC(C3CCOCC3)C2)cc1,-1.331032395362854
+C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1,-1.3758126497268677
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)cc2)cc1,-1.1510944366455078
+c1cc(N2CCCCC2)ccc1C[NH+]1CCC(c2nn[n-]n2)CC1,-0.9948663711547852
+Fc1cccc(-c2ccc(I)cc2NCc2ccccc2)c1,-1.0385669469833374
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2874053716659546
+Cn1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2C[C@@H]2C2CC2)n1,-0.8856588006019592
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.510788083076477
+COc1ccc(N2CCN(C)CC2)cc1,-1.715355396270752
+C[C@@H]1CCCN(c2ccc(NC(=O)N3CCOC[C@H]3C)cc2)C1,-1.1914279460906982
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1cccc(Cl)c1,-1.2056751251220703
+Cc1cccc(NC(=O)C[NH+]2CCC[C@@H](c3ccccc3)C2)c1,-1.4548825025558472
+NN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2165088653564453
+O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)c1ccccc1F,-1.1210778951644897
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1,-0.9099648594856262
+COc1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1,-1.5401997566223145
+C[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1,-1.0619704723358154
+O=C(CCc1ccc(F)cc1F)NC[C@@H]1CC12CCCC2,-1.125130295753479
+Nc1ccc(-c2ccccc2)cc1NC(=O)C[NH+]1CCOCC1,-1.3829078674316406
+O=C(Cc1ccc(O)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.9486038684844971
+O=C(CCN1CC[NH+](Cc2ccccc2)CC1)N1CCSCC1,-1.468916416168213
+CN1CCC(NCc2ccc(-c3ccc(F)cc3)cc2)CC1,-1.3102318048477173
+CC(O)=Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.8251848220825195
+CNC(=O)c1ccc(C(=O)NC2CCCCC2)cc1,-1.5770646333694458
+Cc1cc(CNC(=O)c2ccc3[nH]ccc3c2)ccc1F,-1.0434859991073608
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.36869215965271
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1003875732421875
+Cc1ccccc1NC(=O)C1CCN(c2ccc(O)cc2)CC1,-1.1303470134735107
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8663093447685242
+Cc1ccc(N2CCN(CNC[C@H]3CCCCO3)CC2)cc1,-1.5107996463775635
+CCc1nc(COC(=O)c2ccc(O)cc2)no1,-1.6003373861312866
+CCCCCNC(=O)N1CC[C@@H](OC2CCOCC2)C1,-1.646012783050537
+CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C2CCOCC2)C1,-1.2143580913543701
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ncc2c1,-0.8571778535842896
+C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9345493316650391
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.876439094543457
+CC(C)NC(=O)c1ccc(OCC(=O)O)cc1,-1.6658598184585571
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1O,-1.1829336881637573
+O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.75284343957901
+Cc1ccc(C(=O)NC2CCN(CC(=N)O)CC2)cc1,-1.5219826698303223
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.5404536724090576
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0799933671951294
+C[NH+]1CCN([C@@H]2CCCN(C(=O)NCC(C)(C)C)C2)CC1,-1.1726001501083374
+Cc1nc(-c2ccccc2)sc1Nc1ccc(C(C)C)cc1,-0.8900713324546814
+O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](n2cccn2)C1,-0.879216194152832
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2713992595672607
+O=C(N[C@H]1CCN(c2ccc(Cl)s2)C1)c1ccc(F)cc1,-0.903407871723175
+COc1ncccc1C(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9371567368507385
+C[C@@H]1CN(C(=O)NC[C@@H]2CCC23CCOCC3)C[C@H](C)O1,-1.5258898735046387
+COc1ccc(OCCNc2ccc(F)cc2)cc1,-1.6765563488006592
+O=C([O-])C1CCN(C(=O)c2csc(C3CCCCC3)n2)CC1,-0.8754420280456543
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.050337314605713
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5859448909759521
+O=C(O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1,-1.2828178405761719
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.095089077949524
+O[C@H]1C[C@H](Cc2ccccc2)[NH+](Cc2ccc(F)cc2Cl)C1,-1.2146501541137695
+O=C1CC(Cc2ccccc2)CN1Cc1ccc(F)cc1,-1.5536746978759766
+O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CCC[C@@H]1c1ccccc1,-1.1176091432571411
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2158713340759277
+CC1(C)CC(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1,-1.4913119077682495
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2828725576400757
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.212494134902954
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9322535991668701
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F,-1.170498251914978
+O=C([C@H]1CCCSC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.7723281979560852
+Cc1ccc([C@H](O)CNC(=O)N2CCC3(CCC3)C2)cc1,-1.5249879360198975
+C[C@@H]1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3378909826278687
+O=C(NCc1ccc(O)cc1)c1cc2ccc(Br)cc2s1,-0.9516261219978333
+Nc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cc1,-1.5314918756484985
+Cc1ccc([C@@H]2C[C@H](NC(=O)c3ccccc3C)CCO2)cc1,-1.2019575834274292
+O=C(c1ccc(Nc2ccc(Cl)cc2F)cc1)N1CCOCC1,-0.9899235367774963
+Cc1nsc(C)c1C(=O)NC[C@@H]1CCC2(CCCCC2)O1,-1.096906304359436
+Nc1ccc(C(=O)NC2CCN(c3ccccc3O)CC2)cc1,-1.0865541696548462
+O=C(Nc1ccc(Br)cc1Br)c1ccc(N2CCOCC2)cc1,-0.8558865785598755
+CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1,-1.2713896036148071
+Cc1ccccc1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1,-0.9565621614456177
+Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccc(Cl)cc1,-0.6430346369743347
+c1ccc(COc2cccc3ccc(-c4ccccc4)cc23)cc1,-1.2576754093170166
+C[NH+]1CCN(CCCC(=O)NCc2ccc(Cl)cc2)CC1,-1.495841383934021
+Nc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1619938611984253
+COc1ccccc1CNC(=O)c1ccn(C)n1,-1.586047887802124
+C[C@H]1CN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCCO1,-1.381615161895752
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9620240330696106
+Cc1ccc(-c2noc(COc3cccc(Cl)c3)n2)c(F)c1,-0.9130150079727173
+O=C(Nc1ccc(I)cc1)N1CCN(c2ccccc2F)CC1,-0.8719959855079651
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.8215170502662659
+Nc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1785504817962646
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.514508605003357
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2642168998718262
+Cc1ccc(C)c(CCCNC(=O)c2ccc(N)cc2)c1,-1.26996910572052
+O=C(c1ccccc1)N1CCCCC1,-1.8023587465286255
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.0082151889801025
+C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.4082714319229126
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.037230134010315
+Oc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4765194654464722
+Cc1ccc(N2CCC(NC(=O)N3CCCCCC3)CC2)cc1,-1.2887858152389526
+O=C(c1ncccc1Cl)N1CCCC[C@@H]1Cc1cccc(F)c1,-0.8940908908843994
+O=C(c1ccccc1)N1CC[NH+](CCc2ccc(O)cc2)CC1,-1.4704245328903198
+Cc1nc(-c2ccc(C(=O)Nc3ncc(C)s3)cc2)no1,-0.9352068305015564
+O=C(C[C@H](O)c1ccc(F)cc1)NCc1ccc(Br)cc1,-1.290135145187378
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1,-1.0331130027770996
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.3374416828155518
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.3028066158294678
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1693613529205322
+COC(=O)c1ccc(NC(=O)c2scnc2C)cc1,-1.4172135591506958
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.0951772928237915
+O=C(CCc1ccc(Br)cc1)NCCc1ccc(F)cc1,-1.4054597616195679
+CCCCN=C(O)C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1,-1.0333569049835205
+Oc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1F,-1.3493508100509644
+O=C(CCc1ccccc1)Nc1ccc(C2CC=CC2)cc1,-1.5507543087005615
+[NH3+]c1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5257213115692139
+CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4395331144332886
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br,-1.156535029411316
+O=C([C@H]1CCC[NH+](Cc2ccc(Cl)cc2Cl)C1)N1CCOCC1,-0.8620255589485168
+O=C(Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.3597748279571533
+Cc1ccc(C(=O)NCc2nc3ccc(Br)cc3o2)cc1,-0.9864440560340881
+NCCCC1CCN(C(=O)OCc2ccccc2)CC1,-1.6107999086380005
+COc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1Cl,-0.9250834584236145
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1,-1.0590285062789917
+Cc1nnc(N2CC[C@@H](NC(=O)c3ccc(F)cc3)C2)s1,-0.7998663783073425
+Cc1ccccc1N1CCC(NC(=O)Cc2ccccc2)CC1,-1.3595621585845947
+O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1,-1.4729883670806885
+C[C@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,-0.9082700610160828
+Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)no1,-1.2071917057037354
+O=C(NCc1ccc(F)c(F)c1)c1ccc2cn[nH]c2c1,-0.8976809978485107
+Cc1noc(-c2ccc(NC(=O)c3cc(Cl)cs3)cc2)n1,-0.9279403686523438
+Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1,-1.1061983108520508
+O=C(Cc1ccc(Cl)c(F)c1)N1CCN(c2cccc(F)c2)CC1,-0.6272278428077698
+O=C(NCc1ccc(F)c(O)c1)N1CC[NH+]2CCC[C@@H]2C1,-1.047236680984497
+CCCOc1ccc(NC(=O)C[NH+]2CCSCC2)cc1,-1.588091492652893
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9597471952438354
+CC(C)NC(=O)c1ccc(N2CCCN(C)C2=O)cc1,-1.1093497276306152
+C[C@H]1COCCN1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.168862223625183
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1615917682647705
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.501145839691162
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(I)cc1,-1.124842643737793
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0926052331924438
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2332557439804077
+C[NH+]1CCC(CNC(=O)NC2CCOCC2)CC1,-1.659379482269287
+CCOc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1,-1.0938738584518433
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1341913938522339
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382888555526733
+Cc1cccc(CNC2CCN(c3ccc(F)cc3)CC2)c1,-1.3498790264129639
+Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1,-0.9919312000274658
+CC1CC(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1,-1.2997671365737915
+Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1141672134399414
+COc1ccc(CNCc2ccc(F)cc2C)cc1,-1.4831174612045288
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5194637775421143
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1266392469406128
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1,-0.8582239151000977
+Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(Br)c1,-0.8786537647247314
+Cc1cccnc1NC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.9325053095817566
+O=C(COc1ccc(Br)cc1F)Nc1cc(Cl)ccc1F,-0.7809387445449829
+COc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1,-1.1589995622634888
+C[NH+]1CC[C@H](NC(=O)NCC2CCCCCC2)C1,-1.6575803756713867
+Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.937317430973053
+O=C(NCC(O)=NCCC1CCCCC1)c1ccc(Cl)cc1,-1.3589353561401367
+C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3528101444244385
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.080356478691101
+C[NH+]1CCC[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9729496836662292
+CC(C)c1cc(NC(=O)C[NH+]2CCCC3(CCC3)C2)no1,-1.4609973430633545
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5124330520629883
+Clc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.1985862255096436
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671244859695435
+CC[C@@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.2483000755310059
+CC1(C)CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1,-1.2783621549606323
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0274162292480469
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5188169479370117
+Cc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1,-1.5776267051696777
+CC(C)(C)C(=O)NCc1ccc(N2CCCC2=O)cc1,-1.3465129137039185
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccn2)CC1,-0.9113872647285461
+C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4584879875183105
+Cc1ccc([C@@H]2CCC[NH+](CC(=O)NC(C)(C)C)C2)cc1,-1.3487739562988281
+Nc1ccccc1N1CCN(C(=O)COc2ccccc2)CC1,-1.3487281799316406
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.292495846748352
+Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cl)cc1,-0.882622480392456
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1O,-1.2324074506759644
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2794920206069946
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.1999462842941284
+CC(=O)N[C@@H]1CC[C@]2(C1)C[NH+](Cc1ccccc1)CCO2,-1.6028075218200684
+CCC(C(=O)O)c1ccc(NC(=O)c2ccccc2Cl)cc1,-1.0751842260360718
+Cc1ccc(F)cc1CNC(=O)N1CCC2(CCOC2)C1,-1.3404746055603027
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400010108947754
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(F)c1,-1.3657522201538086
+O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(Br)cc1,-1.4031317234039307
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0810497999191284
+CC(C)N=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.5679917335510254
+COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-1.0270534753799438
+O=C(c1cccc2ccc(Cl)cc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.4120131731033325
+Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cn1,-0.7262780666351318
+Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cc1,-1.1104495525360107
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0112324953079224
+CC1(C)CCN(C(=O)CNc2ccc(C(=O)[O-])cc2)C1,-1.3659363985061646
+Cc1cc(N)ccc1C(=O)N1CCCC[C@H]1Cc1ccccc1,-1.0559186935424805
+Cn1ccnc1NC(=O)NCc1ccc(F)cc1,-1.5455281734466553
+O=C(NCC(O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3753345012664795
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5826393365859985
+O=C(NCc1ccccc1)Nc1ccc(F)nc1,-1.6315068006515503
+C[C@@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.536571979522705
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5090599060058594
+Cc1ccc(OC2CCN(C(=O)c3ccccc3N)CC2)cc1,-1.1691731214523315
+O=C(Nc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,-0.9972448348999023
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.017878770828247
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-1.1090022325515747
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390199899673462
+O=C(COCc1ccccc1)Nc1ccccc1,-1.7469877004623413
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1,-0.9598483443260193
+CC1CCC(n2ccc(NC(=O)c3ccn(C)c3)n2)CC1,-1.136523723602295
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1788009405136108
+O=C(Cc1ccccc1O)Nc1ccc(N2CCOCC2)cc1,-1.4663608074188232
+Cc1ccc(-n2nc(C)cc2NC(=O)c2cccs2)cc1,-1.0872951745986938
+Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.474184513092041
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1I,-1.131056785583496
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3481690883636475
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.1617103815078735
+Cc1nnc(N2CCN(C(=O)N[C@@H]3CC[C@@H](C)C3)CC2)s1,-0.7895201444625854
+C[NH+]1CCC[C@H](C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1,-1.1599165201187134
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2167117595672607
+Clc1ccc(COc2ccc(N3CCCCC3)cc2)cc1Cl,-0.958052933216095
+CC(O)(CC(=O)NCc1cccc(Cl)c1)c1ccccc1,-1.5327727794647217
+O=C(c1cccc(Br)c1)N1CCC[C@H](Oc2ccccc2Cl)C1,-1.0258861780166626
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-0.8351913690567017
+O=C(Cc1ccc(Cl)cc1)NCc1nc2ccccc2s1,-1.089794635772705
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.154418706893921
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)on1,-1.1553279161453247
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)C[C@H]2C)cc1,-1.5303512811660767
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2167530059814453
+COc1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1,-1.5879299640655518
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1265329122543335
+Cc1cc(N2CCN(C(=O)Cc3ccc(I)cc3)CC2)ccc1Cl,-0.613940417766571
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.061216115951538
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3170456886291504
+CC1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1,-1.054355502128601
+Cn1cc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cn1,-1.0251268148422241
+C[NH+]1CCC[C@@H]([NH+]2CCC(NC(=O)c3ccccc3Br)CC2)C1,-0.9195237755775452
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1,-1.1287685632705688
+O=C(CN1CCOC1=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.5044376850128174
+Cc1cc(-c2ccc(F)cc2)ccc1NC(=O)c1ccccc1,-1.090322732925415
+COc1ccc(CNC(=O)N2CC[C@@H](O)C2)cc1,-1.6427185535430908
+Cc1cccnc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.8606576919555664
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8056535124778748
+C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1F,-0.8946812748908997
+C[C@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCN(C)CC1,-1.0672098398208618
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5750081539154053
+C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1,-0.9946240782737732
+C[NH+]1CCCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC1,-1.3238402605056763
+Cc1nc2ccc(C(=O)NCc3cccc(N)c3)cc2[nH]1,-0.9663568735122681
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1874457597732544
+O=C(CCCc1ccc(F)cc1)NCc1ccc(Br)cc1,-1.4190101623535156
+Cn1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc21,-0.9866396188735962
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.064980149269104
+O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.187798261642456
+Cc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)nn1,-1.2771821022033691
+O=S1(=O)CCC(Cc2csc(Cc3ccccc3)n2)C1,-1.5125926733016968
+CCc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1,-1.0103263854980469
+Clc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1040630340576172
+O=C(CCCc1cccnc1)Nc1ccc(N2CCCC2)cc1,-1.4992780685424805
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.143385648727417
+O=C(Cc1ccc(F)cc1)NC[C@H](O)Cc1ccccc1,-1.616642713546753
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0543268918991089
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2241419553756714
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9593952894210815
+Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2cccc(Cl)c2)no1,-1.1462769508361816
+O=C(NC[C@@H]1CCC2(CCC2)O1)[C@@H]1C[C@@H]1C1CCCCC1,-1.5185596942901611
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9964165687561035
+Cc1cccc(CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)c1,-0.8232761025428772
+Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1O,-1.463476538658142
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.5171897411346436
+O=C(N[C@H]1CCNC1=O)c1ccc(-c2ccc(I)cc2)cc1,-0.9718002676963806
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1,-0.8502770662307739
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.720050573348999
+O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.2977370023727417
+O=C(Cn1nnc2ccccc21)NCc1ccc(Cl)cc1,-1.0712662935256958
+O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1839722394943237
+C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.8107336163520813
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.9237580895423889
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0075783729553223
+CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.619671106338501
+Cc1ccc2cc(CNC(=O)c3ccc(I)cc3)[nH]c2c1,-0.9636955261230469
+CCCCc1nc([C@H]2CCCN2C(=O)c2ccc(N)cc2)no1,-1.0714868307113647
+O=C(NCc1cccc(Br)c1)c1cc2ccc(O)cc2s1,-0.945967972278595
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565184354782104
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2992582321166992
+Cc1cnc2ccc(CNCCc3ccc(F)cc3)cc2c1,-1.076008677482605
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1481351852416992
+Cc1cc(CNC(=O)N2CCc3sccc3C2)ccc1F,-0.981002926826477
+CC1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1,-1.1621346473693848
+O=C(COc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1,-1.197960376739502
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1593737602233887
+C[C@@H]1C[NH+](CCC(=O)NCc2ccc(O)cc2)CCCO1,-1.584821343421936
+CC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1,-1.4874368906021118
+O=C(NC1CC(c2ccccc2)C1)c1ccc(Cl)c(F)c1,-1.05913245677948
+Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2F)o1,-0.7359411120414734
+O=C(Nc1ccc2occc2c1)c1ccc(-n2cccn2)cc1,-1.1563165187835693
+Cc1ccc2cc(C(=O)NCc3ccc(F)cn3)sc2c1,-0.8667462468147278
+CN(C(=O)C1CCOCC1)C1CCN(c2cccc(Cl)c2)CC1,-0.9868495464324951
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0575125217437744
+Cc1csc(CCC(=O)Nc2ccc(C(N)=O)cc2)n1,-1.2260048389434814
+C[NH+]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1,-1.3711779117584229
+O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,-1.4040813446044922
+Cc1ccc(-c2sc(C(=O)NC3CCCCC3)cc2C)o1,-1.045708417892456
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210137128829956
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.432960033416748
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8546439409255981
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.0364007949829102
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2882499694824219
+O=C(N[C@H]1CCCCC12CC2)N1CCO[C@H](c2ccccc2)C1,-1.3886767625808716
+Cc1nc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-0.836622416973114
+CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.964122474193573
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9636328220367432
+CC(C)CC(=O)NC1CC[NH+](Cc2cccc(I)c2)CC1,-1.2524539232254028
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.030571699142456
+O=C(c1ccccc1)N1CCNCC1,-1.7879631519317627
+[NH3+]c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9934984445571899
+O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2,-1.3803766965866089
+CC(C)(C)C(=O)N1CCN(C(=O)CN2CCCc3ccccc32)CC1,-0.7287560701370239
+Cc1nc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)co1,-1.2707151174545288
+Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(C)c1,-1.299771785736084
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(I)cc1,-0.9784517884254456
+O=C(CCOc1ccc(Cl)cc1)N1CCC(c2nccs2)CC1,-1.2028751373291016
+C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)nc1,-0.7430760264396667
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1809508800506592
+CC(C)(C)C1CCC(NC(=O)CN2CCCC2=O)CC1,-1.2614760398864746
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2595452070236206
+O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1ccc(F)cc1,-1.2943137884140015
+Cc1nc(CN2CC[NH+](Cc3cc(F)ccc3F)CC2)cs1,-0.8961334228515625
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2333770990371704
+O=C1CCN(Cc2ccc(Br)cc2)N1Cc1ccccc1,-1.3726726770401
+Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1Cl,-1.135221242904663
+Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccccc2C)cc1,-1.1674238443374634
+Nc1cccc(CN2CCC(O)(CC3CCCCC3)CC2)c1,-1.5231350660324097
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.9427523612976074
+Cc1noc(C)c1C(=O)NCc1ccc(Cl)c(N)c1,-0.8891793489456177
+O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1ccc(Cl)cc1,-0.9686377048492432
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3201438188552856
+Fc1ccc(-c2ccc(Cl)cc2NCc2ccccc2)cc1,-1.0899243354797363
+CCOC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1,-1.6083391904830933
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2914295196533203
+CN(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1,-1.3315373659133911
+Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1Cc1ccccc1,-0.9430335164070129
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.107747197151184
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852483749389648
+CC(C)[NH+]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.0650447607040405
+Cc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)cc1,-1.1025718450546265
+CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.4781825542449951
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc[nH]c2c1,-0.9226825833320618
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3774648904800415
+Cc1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C,-0.7411279678344727
+C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1,-1.4607723951339722
+O=C(N[C@H]1CCC(F)(F)C1)N1CCC(c2cccs2)CC1,-1.0439996719360352
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.891278088092804
+Cc1ccccc1C[NH+]1CCN(C(=O)N2CC[NH+](C)CC2)CC1,-1.2651852369308472
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0636067390441895
+Cc1ccc(C(=O)NC(C)C(O)=NCc2ccccc2)cc1,-1.464087963104248
+Cc1cc(NC(=O)c2cccs2)n(-c2ccc(Cl)cc2)n1,-0.9430493116378784
+COC(=O)Nc1ccc(C(=O)N2CCNCC2)cc1,-1.5814796686172485
+Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cn1,-0.954725980758667
+Cc1ccc(OCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.4364349842071533
+Cc1ccccc1OCC(=O)N1CCN(c2ccccn2)CC1,-1.2651628255844116
+O=C(NC1CCCCCC1)N1CCC(c2ccc(F)cc2)CC1,-1.1635009050369263
+O=C(NCc1ccc(F)cc1)N1CCO[C@@]2(CC[NH2+]C2)C1,-1.5421948432922363
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1388643980026245
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1O,-1.146124005317688
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1[O-],-1.0472246408462524
+C[NH+]1CCC[C@@H](NC(=O)CCCCc2ccc(Br)cc2)C1,-1.447870135307312
+Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1,-1.2920653820037842
+O=C(CNC(=O)c1ccccc1)NC1CCCCC1,-1.6460471153259277
+c1ccc(CNC2CCCN2CC2CCCO2)cc1,-1.6515471935272217
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.4566977918148041
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1420416831970215
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5010278224945068
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.21363365650177
+Cc1ccc(-c2ccc(C(=O)Nc3nnc(C)s3)s2)cc1,-0.8779258131980896
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8804699182510376
+C[NH+]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.307998776435852
+Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c(F)c1,-0.987870991230011
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210151433944702
+C[C@@H]1COCCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.4849674701690674
+Cc1ccsc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.035085916519165
+CC(C)(O)CNC(=O)c1cccc(N2CCC(O)CC2)c1,-1.496316909790039
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.000219464302063
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc([NH3+])cc2)CC1,-1.183329463005066
+CCc1ccc(N2CCN(C(=O)c3ccc(N)cn3)CC2)cc1,-0.9488288760185242
+O=C(NCc1ccc(Cl)c(F)c1)c1ccc2[nH]ccc2c1,-0.9009779691696167
+Cc1cc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-1.2289243936538696
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2358171939849854
+Cc1ccc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1,-1.1761707067489624
+CC(C)c1ccc(N)cc1NC(=O)CN1CCCC1=O,-1.1078991889953613
+CC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2F)CC1,-0.9863957166671753
+Cc1cc(Br)cc(O)c1C(=O)NCCc1ccc(F)cc1,-0.8928309679031372
+O=C(N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8253169655799866
+O=C(C[NH+]1CCCC[C@@H]1C(=O)[O-])Nc1ccc(F)cc1,-1.4199047088623047
+Cc1ccc(C2CCN(C(=O)NCC(F)(F)F)CC2)nc1,-0.9229537844657898
+Cc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1,-1.3887358903884888
+Cc1ccc(CNCc2ccc3c(c2)CC(C)O3)cc1,-1.4231168031692505
+Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1F,-1.3249326944351196
+O=C(c1ccc2cc(O)ccc2c1)N1CCCC[C@@H]1c1ccc(F)cc1,-0.6697369813919067
+Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1,-1.1119571924209595
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9086545705795288
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0279088020324707
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1,-0.8666930794715881
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.2089858055114746
+CN(C)c1ccc(CNCCc2ccccc2)cc1,-1.67585027217865
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)[nH]1,-1.351169228553772
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.0856925249099731
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(N)n1,-0.9658982157707214
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1615712642669678
+COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.0218757390975952
+O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O,-1.2558612823486328
+O=C(CN1CCCCC1=O)N[C@@H]1CCN(c2ccccc2)C1,-1.4464147090911865
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(O)cc1,-1.4271690845489502
+Fc1cccc(C[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)c1,-1.1938650608062744
+CC1(C)COc2ccc(NC(=O)Cc3ccc(F)cc3)cc21,-1.1496593952178955
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.3518894910812378
+O=C(NC1CCC(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0461822748184204
+COc1ccc(CNC(C)Cc2ccccc2)cc1,-1.6472457647323608
+C[NH+]1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.403512954711914
+CC(C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C,-1.4796409606933594
+Cc1cc(Br)ccc1CNC(=O)C[NH+]1CCCO[C@H](C)C1,-1.2626477479934692
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.2300642728805542
+COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,-1.141894817352295
+O=C(c1cc(O)c2ccccc2n1)N1CCN(c2ccc(Br)cc2)CC1,-0.4578864574432373
+Cc1nc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n[nH]1,-1.1782417297363281
+c1ccc(Cc2noc(-c3ccc(N4CCCCC4)cc3)n2)cc1,-1.175156831741333
+Oc1ccc(-c2ccc(CNc3cccc(O)c3)cc2)cc1,-1.4505199193954468
+Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(F)c2)n1,-1.124044418334961
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.355764627456665
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125447511672974
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(O)cc2)CC1,-1.3861238956451416
+Cc1[nH+]cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)s1,-0.9864301085472107
+CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)SCO3)CC1,-0.8037494421005249
+O=C(Nc1ccc(F)cc1Cl)c1ccc(C(F)(F)F)cc1,-0.7752571105957031
+CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-1.2292447090148926
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1O,-1.1281322240829468
+CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1,-1.3564120531082153
+C[C@@H]1CCC[C@@H](NC(=O)c2cnn(C)c2-c2cccs2)C1,-1.015136957168579
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ns1,-1.0079511404037476
+O=C(N[C@H]1CCN(c2ccc(O)cc2)C1)[C@@H]1CC12CCC2,-1.288521647453308
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.5508298873901367
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4904547929763794
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.243301510810852
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1csc(-c2ccccc2)n1,-0.9449453949928284
+O=C(Nc1ccc(N2C[C@H]3CCCC[NH+]3C2)cc1)C1CCCC1,-1.2434629201889038
+O=C(N[C@H]1CCC[C@H]1c1cccc(Br)c1)[C@@H]1CC[C@@H](F)C1,-0.8573299050331116
+CC(C)N=C(O)CNC(=O)[C@H]1CCCN(c2ccccc2)C1,-1.4789129495620728
+O=C(N[C@@H]1CCC[C@H](F)C1)N1CCC(c2ccccc2F)CC1,-0.8614797592163086
+Cn1ccc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)n1,-1.5154354572296143
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1942298412322998
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0878868103027344
+O=C1CCC(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1,-1.4702644348144531
+c1ccc(-c2ccc(Cc3nc(-c4ccccc4)no3)cc2)cc1,-1.2441213130950928
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Br)c1)CC2,-0.6449489593505859
+Cc1cccc(NC(=O)C(=O)Nc2ccc(F)cc2)c1,-1.5075827836990356
+O=C(c1cc2ccccc2o1)N1CC[NH+](Cc2ccc[nH]2)CC1,-1.2526925802230835
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0417547225952148
+O=C(Nc1ccc(F)cc1F)N1CCC(C2CCCCC2)CC1,-0.9112444519996643
+Cc1cn(C)nc1C1CCN(C(=O)Nc2ccccc2Br)CC1,-0.6588010191917419
+CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1,-1.1477586030960083
+Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.1230485439300537
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4550716876983643
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cnccc1Cl,-0.8187602758407593
+C[NH+]1CC[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)C1,-1.1476614475250244
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCO2,-1.389469027519226
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1O,-1.1279985904693604
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1042298078536987
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0219295024871826
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.072921633720398
+O=C(Nc1ccc(F)cc1)[C@H]1CCCC[C@H]1c1ccccc1F,-1.032265067100525
+Cc1cccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)c1,-1.110178828239441
+CC(C)NC(=O)c1ccc(-c2nc3c(s2)CC[NH2+]C3)cc1,-0.7694990038871765
+Cn1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.1574794054031372
+Oc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)cc1,-1.5690066814422607
+CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6267967224121094
+Cc1ccc(C[C@H]2C[NH2+]CCN2C(=O)c2ccccc2C)cc1,-1.2018893957138062
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)nn1,-0.8462972640991211
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3F)C2)C1,-1.331007719039917
+CN1CC[NH+](Cc2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.4127068519592285
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0857270956039429
+O=C(Nc1ccccc1)C1CCN(c2ccccc2)C(=O)C1,-1.4250463247299194
+Cc1ccc(CC(=O)NC[C@H](O)c2ccc(C)cc2)cc1,-1.5294721126556396
+O=C(CNC(=O)c1cccc(F)c1)c1ccc(F)cc1,-1.302538275718689
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1129430532455444
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0876045227050781
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9655008316040039
+O=C(Nc1ccc(-c2ccccc2)cc1)c1c(F)cncc1Cl,-0.8609328866004944
+CC[C@@H]1CN(C(=O)COCc2ccccc2)CCCO1,-1.6472424268722534
+O=C(Cc1ccccc1)NC1CCN(c2ccccc2F)CC1,-1.2709734439849854
+Cc1ccc(Cl)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-0.9593942165374756
+Cc1ccc(COc2ccc(N)cc2-c2ccccc2)cc1,-1.3220568895339966
+O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0877773761749268
+CCCCC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccccc1,-1.5287601947784424
+O=C(Nc1ccc(F)cc1)N1CC[C@@H]1c1ccc(F)cc1,-1.0840026140213013
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-0.9814553260803223
+C[C@H]1CCCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-0.9041634202003479
+Cc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)cc1,-1.0932453870773315
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1845037937164307
+O=C(c1ccc(F)cc1)N1CCCC(Cc2ccccc2)CC1,-1.3079618215560913
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Br)c1,-0.8566291928291321
+Clc1ccccc1C1(CNc2ccc(Br)cn2)CCCCC1,-0.9748243689537048
+Cn1cc(NC(=O)CN2CCOCC2)c(-c2cccs2)n1,-1.4551724195480347
+Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2CC(N)=O)c1,-1.3498133420944214
+CC(=O)Nc1ccc(COC2CCOCC2)cc1,-1.695731282234192
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Br,-1.3149745464324951
+O=C(Nc1ccccc1)c1ccc(OCCCCl)cc1,-1.5870558023452759
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004097700119019
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.8320764899253845
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.1900299787521362
+C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1,-1.1386274099349976
+O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1,-1.4634264707565308
+Cc1cc(NC(=O)N2CCC[C@@H]2C2CC[NH+](C)CC2)no1,-1.2027816772460938
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1491551399230957
+C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9342031478881836
+O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.6940455436706543
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)nc1,-1.0912277698516846
+O=C(c1cc(F)ccc1O)N1CCN(Cc2ccccc2)CC1,-1.2600136995315552
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1,-1.0305614471435547
+CC(C)(C)[C@H](NC(=O)N1CCCCC1)c1ccc(F)cc1,-1.1639851331710815
+Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H](C)C2)on1,-1.1106280088424683
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.8248205780982971
+Cc1ccc(NC(=O)NC[C@H]2CCCCO2)nn1,-1.6094228029251099
+Cc1cc(N)ccc1S(=O)(=O)CNCc1ccccc1,-1.530611276626587
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.9770046472549438
+C[NH+]1CC[C@H](NC(=O)Cc2ccccc2)C[C@H]1c1ccccc1,-1.4012200832366943
+Cc1nnccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.8062775731086731
+O=C(Nc1ccc(F)cc1S)c1ccc(-c2ccccc2)cc1,-1.0327571630477905
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.323984980583191
+C[C@@H]1CCC[NH+](CC2CCN(C(=O)c3ccccc3F)CC2)C1,-1.0299981832504272
+CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9634273052215576
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1O,-1.042693853378296
+CC(C)Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1,-0.8979296684265137
+CC(C)c1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1,-0.9335694313049316
+[NH3+]C[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.0479166507720947
+C[C@@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(Cl)cc1,-1.1658459901809692
+O=C(Cc1ccc(F)cc1)NC[C@H](O)Cc1ccccc1,-1.5670831203460693
+C[C@@H]1CCC[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1,-1.3257935047149658
+CC(C)(CNC(=O)COc1ccccc1Br)CC(=O)[O-],-1.4962854385375977
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Br)cc2o1,-0.9495289325714111
+O=C(c1ccc2c(c1)CC(F)(F)O2)N1CC[C@H](c2ccccc2)C1,-1.0078673362731934
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1,-0.9653880000114441
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)nn1,-0.7975901365280151
+C[NH+]1CCc2cc(NC(=O)NC3CCOCC3)ccc2C1,-1.5116995573043823
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1543638706207275
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.017194151878357
+O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1,-1.2732622623443604
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.4177076816558838
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9642277359962463
+C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1Cl,-0.9256764054298401
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.4195507764816284
+CCCN1CCN(C(=O)c2ccc(-c3noc(C)n3)cc2)CC1,-1.0768417119979858
+C[NH+]1CCC[C@H](NC(=O)N2CC(c3ccc(Br)cc3)C2)C1,-1.0281047821044922
+O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1,-1.2301173210144043
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,-0.9438768029212952
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9599623084068298
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.3006409406661987
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(Cl)cc2)CC1,-0.8082271218299866
+C[C@@H](CNC(=O)C[NH+]1CCOCC1)Cc1ccc(Br)cc1,-1.5228348970413208
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(Cl)c2)o1,-1.0829085111618042
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9993995428085327
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@H]1O,-1.0464602708816528
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9831333160400391
+O=C(c1cc2ccccc2o1)N1CCC[C@@H]1Cc1ccccc1,-1.2439677715301514
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3577277660369873
+Cc1ccc(-c2cc(NCc3ccccc3)nc(C)n2)cc1,-1.0533621311187744
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9654383063316345
+O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC[C@@H](c2ccccc2)C1,-1.1323572397232056
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9855402708053589
+CC(C)c1ccc(NC(=O)CN2CCN(C)C2=O)cc1,-1.197107195854187
+NC(=O)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1,-1.2858705520629883
+CCNC(=O)c1ccc(Cl)cc1N=C(O)CC1CCCCC1,-1.0773961544036865
+CC(C)(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[NH+]2CCC[C@@H]12,-0.9410014152526855
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.9639165997505188
+C[NH+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3F)CC2)C1,-1.056286096572876
+CC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1,-1.461700201034546
+O=C(NCc1ccc2nonc2c1)c1ccc(F)c(Cl)c1,-0.8258837461471558
+C[NH+]1CCC(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1,-1.0511215925216675
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617100954055786
+Cc1ccc(F)cc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0995793342590332
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4411993026733398
+OC1(c2nc(-c3ccccc3)no2)CC[NH+](CC2CC2)CC1,-1.515171766281128
+Cc1ccc(C(=O)N2CCO[C@@]3(CCO[C@H](c4ccccc4)C3)C2)cc1,-1.327336311340332
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846731662750244
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1O,-1.1257743835449219
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2656036615371704
+C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4558287858963013
+CC(C)CC(=O)N1CCN(C(=O)c2cccc3ccc(F)cc23)CC1,-0.7108543515205383
+O=C(c1cccc(Cl)c1)N1CCN(CC2CCCCCC2)CC1,-1.0605506896972656
+C[C@H]1CN(C(=O)Nc2ccccc2Cl)CC[NH+]1C1CCCCC1,-0.8955724835395813
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.0429234504699707
+N#CCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6249336004257202
+O=C(c1ccccc1I)N1CCN(Cc2ccc(F)cc2)CC1,-0.8849586844444275
+C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[NH+]1C,-1.201759934425354
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8900925517082214
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.1149332523345947
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC(F)(F)C1,-0.931635856628418
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.094558835029602
+O=C(c1ccccc1Br)N1CCC[C@@H](Nc2ccc(F)cc2)C1,-0.890737771987915
+C[C@@H]1CN(c2ccc(F)cc2)CCN1C(=O)NC1CCCCC1,-1.0245765447616577
+O=C(Nc1ccc(O)nn1)c1ccc(CC(F)(F)F)cc1,-1.0554494857788086
+Cc1ccc(OCc2cccc(-c3ccccc3)c2)cc1Cl,-1.2290503978729248
+Cc1ccc(O)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.176340937614441
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.035913109779358
+CCc1ccc(CN2CCCC2)cc1,-1.8036316633224487
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.19052255153656
+O=C(Nc1ccc(Cl)cc1)OCc1ccccc1,-1.638549566268921
+Clc1ccc(Cl)c(NC2CC[NH+](Cc3ccccc3)CC2)n1,-0.8750824928283691
+Cc1noc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n1,-1.0380537509918213
+Cc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.5288543701171875
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Br)cc1,-1.204874873161316
+O=C(Nc1ccccc1Br)C1CCN(c2ccc(F)cc2)CC1,-0.951824426651001
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2208682298660278
+CC([NH3+])CCc1ccc(F)cc1,-1.8234567642211914
+CCC(CC)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1,-1.3681285381317139
+O=C(Cn1ccc2ccccc21)NCc1cccc(Cl)c1,-1.2910076379776
+O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.4469878673553467
+CCNC(=O)c1ccc(N2CCC[C@H](C3CCOCC3)C2)cc1,-1.2225314378738403
+CCCOc1cccc(C(=O)N2CCC(OC)CC2)c1,-1.568302035331726
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1,-0.8480495810508728
+CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.505046010017395
+O=C(NCc1ccco1)c1cccc2cc(Br)c(Cl)cc12,-0.8027756810188293
+CCC1CCN(C(=O)Nc2ccccc2S(N)(=O)=O)CC1,-1.4681971073150635
+CN(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.1290955543518066
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9275709986686707
+CCOc1ccc(C[NH+]2CCC3(CCCC[C@H]3O)CC2)cc1,-1.5183968544006348
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1,-0.9500123858451843
+CCOc1ccc(CNc2cc(Br)ccc2Cl)cc1,-1.3560712337493896
+CC(C)(C)c1ccc(C(=O)N[C@H]2CCC(=O)NC2)cc1,-1.2888740301132202
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9601053595542908
+Cc1cc(F)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1,-1.044888973236084
+N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.34623384475708
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8762147426605225
+Cc1c(C(=O)NC2CC(c3cccc(F)c3)C2)cnn1C,-0.8889361023902893
+COc1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.0658214092254639
+Nc1cc(F)c(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(F)c1,-0.37748482823371887
+CC(C)CN=C(O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1,-0.8476852178573608
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0979899168014526
+Cc1cc(O)ccc1C(=O)NCc1ccc2c(c1)CCO2,-1.1698652505874634
+Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br,-1.239394187927246
+Cc1ccc(-c2ccccc2)c(OCc2ccc(F)cc2)c1,-1.3047078847885132
+C[C@H]1CN(C(=O)c2cccc(C(=O)N3CCCC3)c2)CC[NH2+]1,-1.1178836822509766
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0847017765045166
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8998192548751831
+O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2F)cc1,-1.3292744159698486
+O=C(c1ccccc1Nc1ncc(Cl)cc1Cl)N1CCCCC1,-0.6942300200462341
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)no1,-0.858083188533783
+Cn1ccc2ccc(C(=O)NCc3ccc(F)cc3)cc21,-1.1141129732131958
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.3411973714828491
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)cc1,-0.9275377988815308
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8645691275596619
+Cc1ccc(CNC(=O)C(=O)N2CCC(C)CC2)cc1,-1.5592560768127441
+[NH3+]CCCn1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-0.9622494578361511
+O=C(COc1ccccc1F)NCCc1ccccc1,-1.658353567123413
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,-1.2272905111312866
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4447734355926514
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1505156755447388
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858153343200684
+NC(=O)C[C@H](C(=O)NCCc1ccccc1)c1ccccc1,-1.5309134721755981
+Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.4231700897216797
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1210907697677612
+C[NH+]1CCCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.3739018440246582
+O=C(NC[C@H](O)c1ccccc1)N1CCCC2(CCOCC2)C1,-1.5255560874938965
+CC(C)(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[NH2+]1,-1.348992109298706
+O=C(O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9551437497138977
+C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9495654106140137
+Cc1ccc(NC(=O)CN=C(O)Nc2ccc(F)c(C)c2)cc1,-1.1363917589187622
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Br)cc2)CC1,-0.9310630559921265
+O=C(Nc1nc2ccccc2s1)N1CCC[C@@H](c2cccs2)C1,-0.8206167221069336
+O=C(Nc1ccccc1OCCCO)C1CCCCC1,-1.6070889234542847
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.0254048109054565
+O=C(Nc1ccc(-c2ncon2)cc1)C(=O)c1ccccc1,-1.3813787698745728
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2517873048782349
+COc1ccc(CNC(=O)c2cc(Br)on2)cc1,-1.511568307876587
+COc1ccc(N2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-0.9992415308952332
+Cc1ccc(-c2nc(C(=O)Nc3ccn(C)n3)cs2)cc1,-1.075169324874878
+Cc1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1147141456604004
+Cc1cccc(-n2ccc(NC(=O)c3cc(C)[nH]n3)n2)c1,-1.077297568321228
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1,-1.2285782098770142
+O=C(Nc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F,-0.9263151288032532
+CC(C)n1ccc(C(=O)NCC2CCCCC2)n1,-1.425808310508728
+O=C(Nc1cccc(-c2ccccc2Cl)c1)c1ccc(Cl)nc1,-0.8186691403388977
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)C1,-1.1885051727294922
+O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.3214540481567383
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.1656137704849243
+C[C@@H]1[C@@H](C)[NH2+]CCN1C(=O)c1ccc(Oc2ccccc2)cc1,-1.1225242614746094
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1788264513015747
+O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.1620670557022095
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.092714786529541
+CCOc1cccc(NC(=O)CCc2ccccc2)c1,-1.6456032991409302
+Cc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1,-1.2047733068466187
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0426170825958252
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1,-1.040474772453308
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6733983755111694
+C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC3(CCCCC3)CCO2)C1,-1.565090537071228
+O=C(Nc1ccc(Br)cn1)N1CCC(c2ccccc2F)CC1,-0.768163800239563
+O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)C1,-1.1075705289840698
+Nc1ccc(C[NH+]2CCN(C(=O)CC3CCC3)CC2)cc1,-1.4317561388015747
+O=C1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3ccccc3)C2)C1,-1.3819953203201294
+O=C1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.4482165575027466
+CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1,-1.5136350393295288
+C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)c(F)cc1F,-0.7963215708732605
+Cc1cccc(C2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1,-0.8946058750152588
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2846263647079468
+O=C(Nc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1O,-1.040352702140808
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1642032861709595
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.0265239477157593
+Cc1ccc(O)c(C(=O)Nc2ccc(C3CCCCC3)cc2)c1,-1.1286898851394653
+O=C(c1ccccc1F)N1CCC[C@H](Oc2ccc(F)cc2)C1,-1.1898661851882935
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1300102472305298
+N#Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1,-0.7671512365341187
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2214592695236206
+O=C(CCOc1ccccc1)N1CCN(c2ccccc2)CC1,-1.516749382019043
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.0414791107177734
+Cc1ccc(C)c(N[C@@H]2CCC[NH+](Cc3ccccc3)C2)n1,-1.1964720487594604
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(O)c1,-1.1738674640655518
+COc1ccc(NC(=O)N2CCCOC3(CCCCC3)C2)cc1,-1.5279000997543335
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781594514846802
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1977583169937134
+Cc1ccc(NCC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.162523865699768
+O=C(Nc1ccccc1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.013188362121582
+C[NH+]1CCN(C(=O)CNc2cccc(-c3ccccc3)c2)CC1,-1.4081816673278809
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9986162781715393
+CN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)C1=O,-1.1123695373535156
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)N1CCC[C@@H]1c1ccccc1,-1.2179865837097168
+COc1ccc(CCC(=O)Nc2ccc(C)c(Br)c2)cc1,-1.2786626815795898
+O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)cc1,-1.0823739767074585
+CC1(O)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.2766848802566528
+O=C(NCCc1ccc(I)cc1)c1ccc2c(c1)CCO2,-1.1412856578826904
+Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.9168483018875122
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.478177785873413
+Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C)cc1,-1.2769677639007568
+O=C(Nc1ccc(Cl)cc1)NC1CCC2(CC[NH2+]C2)CC1,-1.439386010169983
+Cc1ccc(NC(=O)c2cccc(N)c2)c(C(N)=O)c1,-1.1288812160491943
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.1689174175262451
+Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1,-1.5678889751434326
+Fc1ccc(C[NH+]2CCN(Cc3cccc(I)c3)CC2)cc1,-1.3048514127731323
+CC(C)C(C)(O)CNC(=O)N1CCC[C@@H](c2ccco2)C1,-1.5060006380081177
+CC(C)(C)C(=O)N[C@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.1667200326919556
+CC(C)(C)c1ccc(NC(=O)CCc2ccccc2)cc1,-1.547811508178711
+[NH3+][C@@]1(c2cccs2)CCN(C(=O)Nc2ccc(Br)cc2)C1,-1.1637850999832153
+Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1,-1.4727734327316284
+CS(=O)(=O)C1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.1021374464035034
+Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.207157850265503
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2386174201965332
+Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)cc1F,-0.7205718755722046
+O=C(Cc1ccccc1)NC[C@H]1CCC2(CCOCC2)O1,-1.6538448333740234
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.0776293277740479
+CN1CCN(c2ccc(NC(=O)C3CCOCC3)cc2)C1=O,-1.2481563091278076
+Cc1ccc(-n2nc(C)nc2C(=O)NC2CCCC2)cc1,-0.9606860280036926
+CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1,-0.8545740246772766
+O=C(NCc1cccc(O)c1)c1ccc2c(c1)OCCO2,-1.4270707368850708
+Cc1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1,-1.1573768854141235
+C[C@@H]1CN(Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1,-1.3742583990097046
+O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(F)cc1,-1.1027952432632446
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1,-1.1042524576187134
+O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(O)cc1F,-1.007428526878357
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1675206422805786
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.256550669670105
+CN1CC[C@H](NC(=O)N2CCC[C@@H](c3ccccc3)C2)C1=O,-1.1477203369140625
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.0950225591659546
+C[C@H]1C[NH+](CC2(Cc3ccccc3)CCOCC2)CC[C@H]1O,-1.5526641607284546
+Cn1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.054131031036377
+O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(F)cc2)nc1,-0.8734696507453918
+O=C([C@@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCOCC1,-1.2362347841262817
+CC(C)[C@@H](C)C(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.3241674900054932
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1438679695129395
+CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.1627097129821777
+CC(C)(C)c1ccc(NC(=O)N2CCNC(=O)C2)cc1,-1.3262227773666382
+Nc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.6060751080513
+c1csc(-c2ccc(CNCC3CCCO3)cc2)c1,-1.59953773021698
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9894234538078308
+Clc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.0279666185379028
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915090799331665
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)nc1,-1.0382219552993774
+CCN1C[C@H](NC(=O)CCc2ccc(Cl)cc2)CC1=O,-1.4718167781829834
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.183487057685852
+Cc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.135544776916504
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CC=CCC1,-1.1976640224456787
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3618606328964233
+CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1,-0.7283438444137573
+c1ccc(Cc2noc(C3CCCN(c4ccccc4)C3)n2)cc1,-1.3669602870941162
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-1.0031201839447021
+O=C(c1ccc(Cl)cc1)N1CCC(N=C(O)Cc2ccccc2)CC1,-1.0246689319610596
+CC(Nc1ccc(Cl)cc1)c1ncc(-c2ccc(N)cc2)o1,-1.10653555393219
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.160728096961975
+Cc1cc(NC(=O)c2ccc(N)cc2)n(C2CCCC2)n1,-1.0486490726470947
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6707780361175537
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1945295333862305
+CCc1nc(CNC(=O)c2ccc(O)nc2)n[nH]1,-1.2103618383407593
+CC(C)(C)C1CCN(C(=O)N[C@@H]2CCNC(=O)C2)CC1,-1.1556278467178345
+N#Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1,-1.3273664712905884
+Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1,-1.0421432256698608
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.125054121017456
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.377553939819336
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8998057246208191
+Cc1ccccc1C(=O)N1CCN(C(=O)C2CCCc3ccccc32)CC1,-0.6002329587936401
+Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1,-1.4289501905441284
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.150173544883728
+Cn1cc(CC(=O)Nc2nnc(-c3ccccc3)s2)cn1,-1.2090446949005127
+Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.9710439443588257
+CCc1ccc(NC(=O)Nc2ncc(C)s2)cc1,-1.468123197555542
+Cc1cc(N)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1081717014312744
+Fc1ccc(NCC2CCCN(c3ccc(F)cc3)C2)cc1,-1.167818307876587
+Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.509442925453186
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)n[nH]1,-1.0227210521697998
+O=C(N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.8535348773002625
+O=C(NCc1ccc(Cl)c(Br)c1)N1CCC2(CC2)C1,-0.9844110012054443
+CC(C)(C)C(=O)N[C@H]1CCC[NH+](Cc2ncccc2F)C1,-1.024105429649353
+O=C(C1CCCCC1)N1CC[NH+](C2CC2)C[C@@H]1c1ccccc1,-1.084829330444336
+O=C(NCC(O)Cc1cccc(F)c1)c1ccc(O)cc1,-1.4986331462860107
+C1CC[NH+](Cc2noc(C[NH+]3CCCC4(CCC4)C3)n2)CC1,-1.474509835243225
+Cc1ccc(NC(=O)c2cccnc2-c2ccccc2)c(O)c1,-1.048824429512024
+CC(C)[C@H](C)C(=O)NC[C@H]1CCC[NH+](C2CCOCC2)C1,-1.3072824478149414
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4564697742462158
+CN(C)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1,-1.186160683631897
+CC(C)c1ccc(NC(=O)N2CCS(=O)(=O)C2)cc1,-1.588289737701416
+C[NH+]1CCN(c2ccc(C(=O)NC3CCCCCC3)cn2)CC1,-1.1653428077697754
+Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.9584362506866455
+CC(=O)N1CCN(C(=O)Nc2cccc(Br)c2)C[C@H]1C,-1.0208853483200073
+Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1,-1.019284963607788
+COC1CCC(CNC(=O)c2cc(C)on2)CC1,-1.6091828346252441
+C[NH+]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0464520454406738
+COc1ccc(CNC(=O)c2ccc(Cl)s2)cc1,-1.4539847373962402
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Br)cc2)o1,-1.347391963005066
+CC1CCN(c2ccc(NC(=O)CCCCS(C)(=O)=O)cc2)CC1,-1.4402458667755127
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)nn1,-0.758599579334259
+Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cn1,-1.0057227611541748
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531706094741821
+CC(=O)Oc1cccc(OCc2ccccc2)c1,-1.708243489265442
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.083276629447937
+CC(C)C(=O)N1CCC(NC(=O)c2ccc(Cl)s2)CC1,-0.8869040012359619
+Cn1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)n1,-0.9968400001525879
+O=C(Nc1ccccc1F)N1CCOC[C@H]1c1ccc(F)cc1,-1.178360104560852
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.209161639213562
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.1476677656173706
+Nc1nc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0516936779022217
+Nc1ccc(CCN2CCN(C(=O)c3ccccc3)CC2)cc1,-1.3701156377792358
+[NH3+]CCCc1ccc(CNC(=O)C2CCCCC2)cc1,-1.6431376934051514
+O=C(NC1CC(c2ccccc2)C1)c1ccc2cncnc2c1,-1.1007577180862427
+Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccccc1Br,-0.8605623245239258
+Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1O,-1.3612757921218872
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5320302248001099
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1O,-1.1700736284255981
+C[C@@H](CC(=O)NCc1cccc(O)c1)c1ccc(F)cc1,-1.4218354225158691
+Cc1nc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2[nH]1,-0.9788998365402222
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8564227819442749
+CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.329150915145874
+O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H](F)C1,-1.2356911897659302
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908175945281982
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)c1ccc(F)cc1,-1.285088062286377
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-1.0300188064575195
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8823944330215454
+CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](C)C1,-0.8732535243034363
+Cc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1,-1.2899669408798218
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.00075101852417
+Cc1cccc(-c2nn(C)cc2C(=O)NC2CCCC2)c1,-1.0579456090927124
+COc1cccc(CNCCc2ccc(F)cc2)c1,-1.610087513923645
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.7048214673995972
+OC(CN1CCN(c2ccc(F)cc2)CC1)=NCc1ccc(Cl)cc1Cl,-0.6350545883178711
+O=C(Nc1ccc(Br)nc1)N1CCC[C@@H](CC(F)(F)F)C1,-0.9101983308792114
+O=C(c1ccc2ncc(Cl)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.4112566411495209
+Cc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9009474515914917
+O=C(NCc1cccc(Br)c1)N1CCC2(CCOCC2)C1,-1.4633493423461914
+O=C(NCc1ccc(I)c(Br)c1)c1ccc2ncsc2c1,-0.6055258512496948
+CC1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1,-1.019396424293518
+CCOc1ccc(C(=O)NC2(C)CCCC2)cc1,-1.664665937423706
+CC1CN(c2ccc(CNc3ccccc3)cn2)CC(C)O1,-1.4201605319976807
+O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccc(Cl)cc1,-1.2938159704208374
+C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3F)cc2)CC1,-0.9119210839271545
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1Cl,-0.8104811906814575
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Cl)c1,-1.0356857776641846
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.250257134437561
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1577746868133545
+C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1c1ccccc1,-1.155870795249939
+O=C(c1ccc(F)cc1)N1CCN(CCC2CCCCC2)CC1,-1.2980104684829712
+Fc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-1.0070692300796509
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0227781534194946
+O=C(c1cccc(Cl)c1)N1CC[NH+](CC2CCCCCC2)CC1,-1.1772291660308838
+O=C(Nc1ccc(F)nc1)C1CCN(c2ccccc2F)CC1,-0.8573386073112488
+O=C(NCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1,-1.0287375450134277
+CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cc(Br)co2)C1,-1.0121886730194092
+O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1,-1.4462134838104248
+Nc1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(F)c1,-0.987730085849762
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,-1.5168888568878174
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.5394084453582764
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.0467846393585205
+O=C(Nc1ccc(O)cc1)C1CC(c2ccc(Cl)cc2)C1,-1.1599767208099365
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.0770517587661743
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl,-0.8287065029144287
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0330562591552734
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1641970872879028
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(O)c1,-1.2481911182403564
+Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1,-1.4215449094772339
+Cc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cs1,-1.0504499673843384
+Cc1cn(C)nc1NC(=O)N1CCC[C@H]1c1ccccc1,-1.090187907218933
+Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1,-0.9198997616767883
+O=C(Nc1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.028351902961731
+COc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cn1,-0.90726238489151
+Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n1C,-1.0100758075714111
+O=C(c1cc(F)ccc1Cl)N1CCC[C@H](Cc2ccccc2)C1,-0.9041333794593811
+Nc1cc(F)ccc1C(=O)N[C@@H]1CCCO[C@H]1c1ccccc1,-1.0641670227050781
+C[NH+]1CCC[C@H](C(=O)Nc2cccc(F)c2F)C1,-1.070686936378479
+Cc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1,-1.2564382553100586
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.2026509046554565
+C[C@H]1CN(c2ccccc2Cl)CC[C@H]1NC(=O)c1ccccc1,-0.9369944334030151
+Oc1ccc(CN2CCN(Cc3ccc(P)cc3)CC2)cc1,-1.4345163106918335
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.3552485704421997
+O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8092257380485535
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.0612740516662598
+COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.5927467346191406
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9622354507446289
+Nc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.2715797424316406
+Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9857436418533325
+CC1CCC(C(=O)N2CCC([NH+]3CCC(CO)CC3)CC2)CC1,-1.1480218172073364
+O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.1766258478164673
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)no1,-1.1914092302322388
+Cc1ccc(CNC(=O)Cc2cc3ccccc3[nH]2)cc1,-1.4473319053649902
+C[C@@H]1C[NH+](Cc2ccc(Nc3ccccc3)cc2)C[C@H](C)O1,-1.5197467803955078
+CC1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.223100185394287
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1,-1.0237778425216675
+C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1,-1.2737551927566528
+CC(C)[NH+]1CCN(C(=O)Cc2ccc(N3CCCC3)cc2)CC1,-1.1242700815200806
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5634195804595947
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3008173704147339
+O=C(COc1ccc(Br)cc1)Nc1ccc2nc[nH]c2c1,-1.2157093286514282
+CN1CCCC(CN2CCN(Cc3ccc(F)cc3)CC2)C1,-1.2711480855941772
+Nc1cc(C(=O)NC(=O)c2ccc(F)cc2)ccc1F,-1.0285691022872925
+Cc1ccc(N(C)C(=O)c2ccc(N3CCOCC3)cc2)cc1,-1.1946507692337036
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.083311676979065
+Cc1cc(C(=O)NC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)ccc1F,-1.1184301376342773
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139804124832153
+O=C(NCc1ccc(I)cc1)Nc1ccccc1,-1.5243887901306152
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1930173635482788
+O=C(Nc1cc(F)ccc1O)N1CCN(c2ccccc2)CC1,-1.0943174362182617
+Fc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1F,-1.2105424404144287
+O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.623500108718872
+Cc1ccccc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.0965439081192017
+CC(C)(C)C(=O)NCC(=O)Nc1csc2ccccc12,-1.1893885135650635
+O=C(Cc1ccc(F)cc1Cl)NCCc1ccc(F)cc1,-1.0598899126052856
+N#CCc1cccc(C(=O)NCc2ccccc2)c1,-1.6259440183639526
+O=C(c1ccc(F)cc1Cl)N1CCC(Nc2ccccc2)CC1,-0.9248838424682617
+Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-0.9438884854316711
+Fc1ccc(CN[C@H]2CCCN(c3ccc(F)cc3)C2)cc1,-1.2541050910949707
+Nc1ccc(C[C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)cc1,-1.44046151638031
+O=C(C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)N1CCOCC1,-1.362317681312561
+O=C(Nc1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.1799962520599365
+O=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1,-1.4746527671813965
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.2172058820724487
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9626179933547974
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.2114014625549316
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5145463943481445
+O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2o1,-1.4134677648544312
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0796838998794556
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700024366378784
+Fc1cccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)c1,-1.1541160345077515
+COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.4295063018798828
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1450995206832886
+CN(C(O)=NCC(=O)NCc1ccccc1)c1ccccc1,-1.543826937675476
+O=C(NCC1CCC2(CCCO2)CC1)c1ccc(F)cc1,-1.531626582145691
+Cc1ccc(C2(C(=O)Nc3ccc(Br)cc3)CCC2)cc1,-1.317954659461975
+CC(C)(O)CC(=O)Nc1ccc(Oc2ccccn2)cc1,-1.5869096517562866
+CC1(C)C[C@H]1[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-0.9378224015235901
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172491431236267
+C[C@@H]1CN(C(=O)NC2(c3ccccc3)CCC2)C[C@H](C)O1,-1.5725699663162231
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc(Cl)c1,-1.2912402153015137
+O=C(c1ccccc1F)N1CC[NH2+]C[C@@H]1Cc1ccc(F)cc1,-1.0600165128707886
+Cc1ccc(CNC(=O)N2CCC3(CCCO3)CC2)cc1,-1.5637837648391724
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1222410202026367
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1140546798706055
+O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](C[NH+]2CCCCC2)C1,-0.7988050580024719
+C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1493946313858032
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0379502773284912
+O=C(OCc1ccccc1)C(c1ccccc1)C(F)(F)F,-1.5548001527786255
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.140112280845642
+Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1,-1.3535704612731934
+Cc1ccc(C[C@@H](O)CNC(=O)c2cccc(C)c2)cc1,-1.5273683071136475
+O=C(Nc1cccc(F)c1)N1CCN(c2ccccc2F)CC1,-0.9951193332672119
+O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Br,-0.8947153091430664
+O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1cccc(O)c1,-1.3518598079681396
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8608421087265015
+Cc1cc(Br)cc(-c2ccccc2)c1,-1.6240566968917847
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9808394908905029
+CCOC(=O)N1CC(C(O)=NCc2ccc(F)cc2)C1,-1.5649491548538208
+Cc1ccoc1C(=O)Nc1ccc(N2CCN(C)C2=O)cc1,-1.0750683546066284
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.059523344039917
+Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2CC(C)(C)O)cn1,-1.3995505571365356
+Cc1cc(Cl)ccc1CNC(=O)CCc1ccc(O)cc1,-1.2796204090118408
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0867412090301514
+C[NH+]1CCCC[C@@H](CNC(=O)N2CCC3(CCCC3)C2)C1,-1.5331239700317383
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238703727722168
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Br)cc2[nH]1,-0.8729817271232605
+Cc1ccc(NCc2ccccc2N2CCOCC2)cc1Cl,-1.1224833726882935
+O=C(NCc1ccccc1)c1cc(C2CC2)on1,-1.6167806386947632
+C[C@@H]1CO[C@@H](C)CN1c1ccc(C(=O)Nc2ccccc2)cc1,-1.2832393646240234
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0213184356689453
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)CC1,-1.0811195373535156
+Nc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.1607086658477783
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.430637240409851
+C[NH+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1,-1.4975258111953735
+Cc1nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2s1,-0.8648629188537598
+Cc1nc2cc(C(=O)OCc3ccc(O)cc3)ccc2o1,-1.2588900327682495
+O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.86440110206604
+O=C(NCC[NH+]1CCC2(CCCC2)CC1)c1ccc(Cl)s1,-1.273057460784912
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4673398733139038
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852455139160156
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1034817695617676
+CC(O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1955924034118652
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3442374467849731
+CCCCC(=O)N1CCC(OC(=O)Cc2ccccc2)CC1,-1.6044808626174927
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1383002996444702
+O=C(NC[C@H]1CCCO1)N1CCC(C2CC2)CC1,-1.5955730676651
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.114843726158142
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852511167526245
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.3590162992477417
+CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,-0.9324697256088257
+CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5319677591323853
+O=C(Nc1ccc(Cl)cc1Cl)N1CCOC[C@H]1c1ccccc1,-0.9340932369232178
+Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)no1,-1.4554086923599243
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.199947714805603
+Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)s1,-1.0234235525131226
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698400855064392
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.0076102018356323
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1,-1.0468283891677856
+CC[C@@H](C)C(=O)N1CC[NH+](C)CC1,-1.7804484367370605
+Cc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1,-1.077539086341858
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.3649194240570068
+CCCC(=O)N1CCN(C(=O)CCSc2ccccc2)CC1,-1.4621543884277344
+O=C(c1ccc(Br)nc1)N1CCC[C@H](C(=O)N2CCCC2)C1,-0.9176825881004333
+CCc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)no1,-0.7465519309043884
+CC1(C(=O)NC2CCN(c3ccc(Cl)cc3)CC2)CCC1,-1.1596169471740723
+CC(=O)Nc1ccc(OCC2CCCCC2)cc1,-1.6846837997436523
+COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6429449319839478
+O=C([O-])C[C@@H]1CCCC[NH+]1C1CC[NH+](Cc2ccccc2)CC1,-1.4279334545135498
+O=C(CCOc1ccccc1)NC[C@H]1CCCC[C@@H]1O,-1.6805092096328735
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.044206976890564
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898353219032288
+O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1,-1.2964869737625122
+CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1,-1.1089450120925903
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1,-0.8182980418205261
+Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)c[nH+]1,-1.0156770944595337
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1Br,-1.0359734296798706
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0471489429473877
+C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0993461608886719
+O=C(c1cccc(O)c1)N1CCN(CCc2ccccc2)CC1,-1.4660406112670898
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9748331904411316
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0500335693359375
+O=C(Nc1nc2ccccc2s1)c1ccc(-n2cccn2)cc1,-0.9062492847442627
+O=C(Cc1ccc(Br)cc1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.303798794746399
+O[C@@H]1CN(c2ccc(F)cc2)CC[C@@H]1COc1ccccc1,-1.419114351272583
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0184379816055298
+O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9144056439399719
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-0.9595390558242798
+Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1,-1.3721024990081787
+COc1ccc(I)cc1CNCCc1ccccc1,-1.4626944065093994
+O=C(c1ccc(F)cc1F)N1CCN(CC2CCOCC2)CC1,-0.9996525049209595
+O=C(CNc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,-1.1846085786819458
+O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)nc1,-0.7746479511260986
+O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.4379253387451172
+C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.09907865524292
+O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]ccc2c1,-1.3341692686080933
+O=C([O-])N1CCN(C(=O)c2nc(-c3ccccc3)no2)CC1,-1.116994857788086
+Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.0964101552963257
+O=C1[C@@H](Nc2ccc(F)cc2)CCN1CC1CCCCC1,-1.2569924592971802
+CC[C@@H]1CCCN(C(=O)NCc2ccn(C)c2)C1,-1.602324366569519
+Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C)n1,-1.089343547821045
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2480043172836304
+COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6145122051239014
+CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1,-1.5263135433197021
+Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0570286512374878
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0329456329345703
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1cccc([O-])c1,-1.4724351167678833
+Cc1ccc(N2CCC([NH2+]Cc3cccc(O)c3)CC2)cc1,-1.3725802898406982
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8912901282310486
+CC1(C)C[C@H](NC(=O)Nc2cccc(F)c2)C[C@H]1O,-1.473183274269104
+Cc1ccc(CCC(=O)NCC[NH+]2CCCC(C)C2)cc1,-1.5988608598709106
+C[C@@H]1C[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1,-1.5200759172439575
+O=C(COc1ccc(Cl)cc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1,-1.2731208801269531
+C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(N)c1,-1.3689115047454834
+C[C@@H]1CN(C(=O)NC2CCCCCC2)CC[C@H]1c1ccccc1,-1.2318533658981323
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1,-0.862393856048584
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.143386960029602
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1403768062591553
+C[NH+]1CCC[C@H](NC(=O)c2ccc(-c3ncccc3Cl)cc2)C1,-0.8785526752471924
+Cc1cc(O)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.260796070098877
+C[C@@H](NC(=O)C(C)(C)[NH+]1CCC[C@@H](O)C1)c1ccccc1,-1.389011263847351
+O=C(NCc1ccccc1)C1CC[NH+](CCCO)CC1,-1.6176410913467407
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0211546421051025
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.8888487219810486
+Cc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.026381492614746
+O=C1CCCN1c1ccc(Cl)cc1,-1.7291693687438965
+O=CNC[C@@H]1CCOC1,-2.044780731201172
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.093050479888916
+Cc1cccc(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1130369901657104
+CC1(C)CN(C(=O)CNC(=O)c2ccccc2)CCO1,-1.6088017225265503
+CCc1cc(C(=O)NCc2ccc(Br)cc2)no1,-1.5399463176727295
+Cc1ccc(N2CCN(C(=O)c3cccc(C(N)=NO)c3)CC2)cc1,-0.8859565854072571
+CCC(CC)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1,-1.1803607940673828
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1584563255310059
+CC(C)(C)C(=O)NCc1ccccc1N1CCNC1=O,-1.2424284219741821
+Nc1nc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.8828276991844177
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.000043511390686
+CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1,-1.6219466924667358
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1,-0.9425581693649292
+COc1cc(Br)ccc1C(=O)N1CCN(c2ccccc2)CC1,-1.0767627954483032
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1865627765655518
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1832526922225952
+CC[NH+]1CCN(C(=O)N2CCC(c3ccccc3)CC2)C[C@H]1C,-1.053760051727295
+C[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9487245082855225
+CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1852567195892334
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1875174045562744
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4553073644638062
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1,-0.5620971918106079
+Cn1cc(C(=O)NCc2cccc(O)c2)c2ccccc21,-1.1685905456542969
+Cc1ccc(C(=O)N2CCCCC2Cc2ccccc2)c(O)c1,-1.1541800498962402
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2004154920578003
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4585217833518982
+C[C@H]1C[NH+](Cc2cccc(Oc3ccccc3)c2)CCN1C,-1.4834245443344116
+Fc1ccc(NCC2CCC(c3ccc(F)cc3)CC2)cc1,-1.1407774686813354
+Cc1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)s1,-1.5370534658432007
+C[C@@H]1C[NH+](CC(=O)Nc2ccccc2)CCN1c1ccccc1,-1.4532126188278198
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.279036521911621
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Br)CC1,-0.8492650985717773
+Cc1nc(C)c(-c2ccccc2)cc1NC(=O)c1ccccc1,-0.9098781943321228
+O=C(Nc1ccc(O)cc1Cl)N1CCC(c2ccccc2)CC1,-1.0024038553237915
+Cc1ccc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)oc2c1,-1.2071505784988403
+COCCNC(=O)N1CCC(c2ccccc2C)CC1,-1.5141594409942627
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1,-1.0354760885238647
+O=C(Nc1nc2ccccc2o1)c1csc(-c2ccccc2)n1,-0.9822285771369934
+CC1(C)CCC[C@@H](CNC(=O)C(=O)C2CCCCC2)C1,-1.5033714771270752
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4383589029312134
+Cc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1,-1.0838605165481567
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852434873580933
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.0692049264907837
+Cc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.3627673387527466
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.039814829826355
+O=C(Cc1ccccc1Br)NC1CCN(c2ccccc2)CC1,-1.3039354085922241
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2059876918792725
+O=C(N[C@@H]1CC12CCOCC2)[C@H]1CCC[C@@H](c2ccccc2)C1,-1.498295783996582
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1Br,-0.9807237386703491
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1116504669189453
+O=C(N[C@H]1CCCC[C@H]1N1CCCC1=O)c1ccc(Cl)cc1,-0.9343401789665222
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1C,-1.44290292263031
+C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1,-1.0837773084640503
+Fc1ccc(O[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1,-1.4425296783447266
+Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(F)c2)co1,-1.1692581176757812
+Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl,-1.2087596654891968
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9077153205871582
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(I)cc2)CC1,-0.9518083333969116
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2770148515701294
+Cc1nnc(N2CC[C@H](NC(=O)c3cccc(O)c3)C2)s1,-0.9241772890090942
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749869346618652
+COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9409304261207581
+CCC(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1,-1.3146346807479858
+C[C@@H]1CN(C(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1,-1.1688432693481445
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1918219327926636
+CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3)CC2)CC1,-1.0828710794448853
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0647261142730713
+O=C(NC[C@H]1CCCOC1)Nc1ccc(Br)nc1,-1.534365177154541
+Cc1ccccc1CC(=O)N1CCN(c2ccc(Cl)cn2)CC1,-0.8796536922454834
+COc1ccc(CNC(=O)c2cc(C)[nH]n2)cc1,-1.592492938041687
+Fc1cc(F)cc(-c2cccc(OCc3ccccc3)c2)c1,-1.2806802988052368
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4676083326339722
+CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1,-1.529320478439331
+Nc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.2330026626586914
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(F)cc1,-1.0858714580535889
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210060834884644
+O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1c[nH]c2ccccc12,-1.107924222946167
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.3220479488372803
+Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl,-1.046649694442749
+Cc1cc(OCc2ccc(N3CCCCC3)cc2)ccc1N,-1.265373706817627
+Cn1cc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-1.065960168838501
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.011782169342041
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2758023738861084
+Cc1ccc(Cl)cc1NC(=O)N1CC[NH+](CC(C)C)CC1,-0.9736449718475342
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2[nH]1,-0.811951756477356
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4671075344085693
+CCNCC1CN(C)CCN1c1ccc(CC)cc1,-1.3715920448303223
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0278531312942505
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0204130411148071
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)[nH]1,-1.3478952646255493
+CC(C)Oc1ccc(NC(=O)c2cccs2)cc1,-1.6150299310684204
+NS(=O)(=O)CCc1ccc(NC(=O)c2ccccc2)cc1,-1.55686354637146
+C[C@@H]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)O1,-1.5873503684997559
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-1.0318301916122437
+CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.0407031774520874
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.6807271242141724
+CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5731844902038574
+O=C(c1ccc2[nH]c(=O)oc2c1)N1CCCC[C@H]1c1ccc(F)cc1,-0.829890787601471
+Cc1nc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.7953312397003174
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.041500449180603
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(Cl)cc1)C2,-0.9584637880325317
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccn(C2CCCCC2)n1,-1.0933027267456055
+CCCNCCc1ccccc1Br,-1.7181496620178223
+Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1,-1.5560338497161865
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.156320571899414
+O=C(c1ccc(Cl)cc1F)N1CCN(c2cc(F)cc(F)c2)CC1,-0.3459795117378235
+CC1(NC(=O)COc2cccc(F)c2)CC[S+]([O-])CC1,-1.5339200496673584
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.3820266723632812
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cn1,-0.9990062713623047
+O=C(c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1,-1.4828052520751953
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1003518104553223
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.2046831846237183
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9791370630264282
+Cc1ccc(N2CC[C@H](C(=O)Nc3cc(C)on3)C2)cc1,-1.2203320264816284
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(-c2ccccc2)n1,-1.1647400856018066
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0752376317977905
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.1885995864868164
+Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0070327520370483
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9301558136940002
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1,-1.1403270959854126
+O=C(c1ncccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8631925582885742
+C[NH+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Br)cc3)n2)C1,-0.8004944920539856
+COc1ccc(-c2ccc(CNC(C)=O)s2)cc1,-1.5698511600494385
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)cc2Br)CC1,-0.5058421492576599
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2404450178146362
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1539703607559204
+O=C(OCC(O)=NCCc1ccccc1)c1ccc(Cl)cc1,-1.4921939373016357
+O=C(NCC1CCCCC1)Nc1ccc(Cl)cc1,-1.5720181465148926
+CC(=O)CN1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.3185025453567505
+C[C@@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1,-0.9494772553443909
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)C(=O)N1CCCCC1,-1.5121831893920898
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0423908233642578
+O=C([C@H]1CCc2ccc(F)cc2C1)N1CCN(c2ccc(F)cc2)CC1,-0.48084354400634766
+Cc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccccc2F)cc1,-0.9655634760856628
+C[NH+]1CCC(NC(=O)Cc2ccc(C(N)=O)cc2)CC1,-1.5651164054870605
+C[NH+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1,-1.3528518676757812
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0390301942825317
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.0055822134017944
+Cc1nc(-c2ccc(F)cc2)ccc1NC(=O)c1ccccc1,-0.9458326101303101
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9340420961380005
+Cc1ccc(C(=O)N[C@H]2CC[C@@H]2c2ccc(Br)cc2)cn1,-0.9191275835037231
+CC(C)[C@H]1CN(C(=O)NCc2cccs2)CCO1,-1.5841279029846191
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1F)c1ccccc1,-1.011052131652832
+CC(C)(C)C(O)CNC(=O)N1CC[C@@H](C(C)(C)C)C1,-1.3013267517089844
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8125396370887756
+C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1194701194763184
+CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1Br,-1.2021210193634033
+Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2F)CC1,-0.7914475202560425
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0637710094451904
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2352101802825928
+O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8781755566596985
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3225150108337402
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.47771418094635
+CC(C)(C[NH+]1CCOCC1)NC(N)=O,-1.805738925933838
+C[NH+]1CC[C@H](NC(=O)c2[nH]ncc2-c2ccc(F)cc2)C1,-1.0157902240753174
+O=C(N[C@H]1CC12CCOCC2)c1ccccc1-c1ccccc1,-1.4086862802505493
+O=C(Cc1ccccc1O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.3143638372421265
+CCc1nc(C2CCN(C(=O)Cc3ccc(I)cc3)CC2)no1,-0.8242548108100891
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.2059882879257202
+Cc1ccc(C[C@H]2CCCCN2C(=O)[C@@H]2CCCC[C@H]2C)cc1,-1.0376505851745605
+Cc1ccccc1-n1ccc(NC(=O)Cc2ccc(N)cc2)n1,-1.1010957956314087
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3842566013336182
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9631759524345398
+O=C(COCc1ccccc1)Nc1ccccc1,-1.7468572854995728
+O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2[nH]1,-1.17682945728302
+O=C(Nc1nc(C2CCOCC2)cs1)N1CC[NH+]2CCC[C@@H]2C1,-0.9154308438301086
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cn3)CC2)cc1,-0.9858855605125427
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.031059741973877
+CC[C@H](C)C(=O)NC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1,-1.0352221727371216
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.153662919998169
+C[NH+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9411677718162537
+O=C(NC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1,-0.8158599138259888
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1,-1.228880524635315
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1584845781326294
+Fc1ccc(-c2nsc(NCc3cc(F)ccc3F)n2)cc1,-0.5876542925834656
+CC(C)Cc1ccc(C(=O)NC2C[C@@H](C)O[C@@H](C)C2)cc1,-1.3570224046707153
+Cc1ccc(C[NH+]2CCN(C(=O)c3sccc3C)CC2)c(C)c1,-0.8785886764526367
+Cc1cc(C(=O)NCc2nc3ccccc3o2)ccc1O,-1.144607663154602
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.0667164325714111
+Cc1csc(NC(=O)C[NH+]2CCC[C@H]2c2ccccc2)n1,-1.2764867544174194
+C[C@H](Oc1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1,-1.5423632860183716
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6710230112075806
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2[nH]1,-0.8119521141052246
+Cc1ccc(NC(=O)c2ccccc2CC(F)(F)F)cn1,-1.0265002250671387
+CCOc1ccc(C[NH+]2CCCC[C@H]2[C@H](C)O)cc1,-1.5949509143829346
+O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(O)cc1,-1.5791093111038208
+Cc1cc(NC(=O)c2ccco2)n(-c2ccc(Cl)cc2)n1,-1.069563865661621
+CC(O)=Nc1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,-1.177720069885254
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.111311674118042
+c1cc(N2CCOCC2)ccc1C[NH+]1CC[C@H]([NH+]2CCOCC2)C1,-1.4582479000091553
+O=C(Nc1ccccc1N1CCCCC1)c1cc(O)ccc1F,-1.0339431762695312
+Cc1ccc(-c2ncc(C(=O)Nc3cc(C)on3)s2)cc1,-1.0233440399169922
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6984025239944458
+N#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1,-1.4033571481704712
+O=C(N[C@@H]1CC[C@@H](C2CC2)C1)N1CCN(c2ccccc2)CC1,-1.1326801776885986
+O=C(CCCc1cccc(O)c1)OCc1ccc(Br)cc1,-1.4793667793273926
+Nc1ccc(-c2ccc(COc3ccc(Br)cc3)cc2)cc1,-1.3406797647476196
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(I)cc1,-1.1195836067199707
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.8949156999588013
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1078109741210938
+CC1CCC(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1,-1.0281251668930054
+CCCCC(=O)N1CCN(C(=O)COc2ccccc2)CC1,-1.5277172327041626
+COc1ccccc1CCNC(=O)N1CCCCC1C,-1.5208923816680908
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9972184300422668
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3795580863952637
+CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1,-0.8376701474189758
+CCOc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.4880163669586182
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5292032957077026
+Cc1c(C(=O)Nc2ccccc2I)cnn1-c1ccc(F)cc1,-0.5801293253898621
+Nc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)c1,-1.0925246477127075
+CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCO1,-1.5662645101547241
+O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.8869903683662415
+CCCCCCCCCCNC(=O)c1ccc(-c2noc(C)n2)cc1,-1.303278923034668
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2281440496444702
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)n[nH]1,-1.209377408027649
+Cc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1,-1.5805296897888184
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.053612470626831
+C[NH+]1CCN(c2cccc(NC(=O)c3cccnc3F)c2)CC1,-0.9746604561805725
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2o1,-1.3236570358276367
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9411746263504028
+O=C(NCc1ccc(Cl)cc1)[C@@H](O)CCc1ccccc1,-1.519836664199829
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2cccc(Cl)c2)C1,-0.7918540835380554
+O=C(Nc1cc(F)ccc1F)c1cccc(-c2ccccc2)c1,-1.0319422483444214
+Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C,-0.7087024450302124
+COc1ccc(C(=O)N2CCC([NH+]3CCC(C)CC3)CC2)cc1,-1.0968064069747925
+CO[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C)cc2)CC1,-1.2577098608016968
+Nc1ccc2oc(C(=O)NCc3ccc(F)cc3)cc2c1,-1.1284676790237427
+C[C@H]1CC[NH+]([C@@H]2CCCN(C(=O)N[C@@H]3CC34CCC4)C2)C1,-1.1262341737747192
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2192367315292358
+C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1,-1.1089586019515991
+O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5025571584701538
+Cn1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0203200578689575
+Fc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)cc1,-1.1273671388626099
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-0.935950756072998
+Cc1ncc(CNC(=O)NCC(C)(C)C)s1,-1.5040396451950073
+Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1,-0.9099656343460083
+O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8017826676368713
+O=C(c1ccc(F)cc1)N1CC[C@@](O)(Cn2cccn2)C1,-1.5499601364135742
+O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0628124475479126
+CC(C)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.0859326124191284
+O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.3273240327835083
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cnc2ccccn12,-1.1008909940719604
+Nc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-0.889761209487915
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8355633020401001
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1199603080749512
+CS(=O)(=O)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1,-1.0721884965896606
+O=C(Cc1ccccc1)NCc1nc2ccc(Br)cc2[nH]1,-1.075441598892212
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3495817184448242
+O=C([O-])C1CCN(C(=O)COc2cccc(Br)c2)CC1,-1.3216720819473267
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0362941026687622
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.085829734802246
+N#Cc1ccc(NC(=O)c2noc(-c3ccccc3)n2)cc1,-1.2733640670776367
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.9702248573303223
+C[NH+]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0410733222961426
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.083209753036499
+COc1ccc(OCC(=O)N2CCS(=O)(=O)C2)cc1,-1.6217803955078125
+O=C(NCc1cccc(F)c1)c1cc2cc(Cl)ccc2[nH]1,-0.9672423601150513
+c1ccc(-c2nc(CNC3CCCCC3)nc3ccccc23)cc1,-0.8576805591583252
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1F,-0.833007276058197
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3Br)C2)C1,-1.2165721654891968
+O=C1CCCN1c1ccc(F)cc1,-1.7415733337402344
+Oc1ccc(-c2ccc(NCc3cccc(Br)c3)cc2)cc1,-1.2389299869537354
+O=C(NCC(O)=NCCc1ccc(Br)cc1)c1ccccc1,-1.4335798025131226
+C[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)CCN1c1ccccc1,-1.157551884651184
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1852493286132812
+O=C(c1cccc(Br)c1)N1CCC[C@@H](CCc2ccccc2)C1,-1.363429307937622
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)nn1,-1.1341145038604736
+O=C(Nc1ccccc1Cl)c1cccc(F)c1,-1.4190751314163208
+CC(C)(O)C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1,-1.6421996355056763
+Cc1nc2ccc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)cc2o1,-0.36351895332336426
+O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.6606967449188232
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4999815225601196
+COCc1ccc(C(=O)N2CC[C@H](O)C3(CCC3)C2)cc1,-1.4261882305145264
+CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1,-1.3024876117706299
+CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3798071146011353
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1955358982086182
+O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)c1ccccc1,-1.4176796674728394
+[NH3+][C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9964566230773926
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.1777030229568481
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.672365427017212
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1,-1.2780438661575317
+O=C(N[C@@H]1CC[C@@H](F)C1)[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.0976288318634033
+Cc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1,-0.5522899627685547
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9549392461776733
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.04176926612854
+Fc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.180985927581787
+C[NH+]1CCC(CNC(=O)N2CCC3(CCOCC3)C2)CC1,-1.5502277612686157
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.3423986434936523
+CC[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1,-1.360961675643921
+O=C(NC1CCCCCC1)N1CCN(c2cccc(Cl)c2)CC1,-1.1123090982437134
+O=C(NCc1ccc(O)cc1)N[C@H]1CCCCO1,-1.6888967752456665
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1538715362548828
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0939555168151855
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)N2CCC[C@H](C)C2)s1,-1.1115949153900146
+c1csc(CNc2ccc(CN3CCCC3)cc2)c1,-1.6124210357666016
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2058759927749634
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)c(F)c1,-1.0032830238342285
+Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1,-0.8741899132728577
+COc1ccc(NC(=O)CCc2ccc(F)c(Br)c2)cc1,-1.343537449836731
+CC(C)(CO)C(=O)NCc1cccc(N2CCOCC2)c1,-1.5518150329589844
+Nc1c(F)cccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-1.0601357221603394
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0825014114379883
+Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c(C)c1,-1.1082088947296143
+OC(COCc1ccc(Cl)cc1)=NCc1ccc(Br)cc1,-1.32611083984375
+Cc1ccc(-c2nnc(CNc3cc(C)ccc3Cl)o2)cc1,-1.0059562921524048
+CCCC(=O)N1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1,-1.0533969402313232
+COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,-1.030312418937683
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1217275857925415
+COCC1CCN(C(=O)CCCc2nc3ccccc3o2)CC1,-1.3111495971679688
+Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3370956182479858
+CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-1.427337408065796
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,-1.0604792833328247
+O=C(C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1)N1CCCCC1,-0.7500428557395935
+O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1,-1.0690853595733643
+O=C(Cc1ccccc1)N[C@@H](c1ccccc1)C(F)(F)F,-1.4853858947753906
+COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,-0.9331327676773071
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1I,-0.955133318901062
+Cc1cc(O)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-1.2779717445373535
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9726651310920715
+CC(C)C(=O)N1CCC[C@H](NC(=O)[C@H]2CC23CCCCC3)C1,-1.1054154634475708
+C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1-c1ccc(Cl)cc1,-0.88805091381073
+O=[N+]([O-])c1cc(NCc2ccccc2)ccc1-c1ccccc1,-1.4146775007247925
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2858526706695557
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(Cl)c1O,-1.0817147493362427
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9755802154541016
+c1ccc(CN2CCC3(CCN3Cc3ccccc3)C2)cc1,-1.5590533018112183
+O=C(NCc1nc2ccc(F)cc2o1)[C@H]1CCC[C@@H](F)C1,-0.8863123655319214
+Nc1ccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1,-1.0496852397918701
+Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.2874873876571655
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1N,-1.2679901123046875
+O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0587098598480225
+CC1CN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC(C)O1,-1.010643720626831
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4198493957519531
+O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1,-1.640214204788208
+O=CNCCc1ccccc1,-1.982370138168335
+C[NH+]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1,-1.1002227067947388
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.3769632577896118
+C[C@H](NC(=O)c1cccs1)C(=O)N1CCOC(C)(C)C1,-1.512503743171692
+Cc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)C2)c1,-1.2427033185958862
+Cc1cc(O)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.1049772500991821
+Fc1ccc(NCC2CCN(c3ccccc3)CC2)cc1F,-1.0917446613311768
+C[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccncc1,-1.3469359874725342
+O=C(NCc1ccc2c(c1)OCCO2)c1cccc(O)c1,-1.5415900945663452
+CC1(C)CCN(C(=O)CNC(=O)c2ccccc2)CC1,-1.5594065189361572
+O=C(N[C@@H]1CC[NH+](CC2CCOCC2)C1)C1CC1,-1.6290440559387207
+CCNC(=O)[C@H]1CCC[NH+](CCCc2ccccc2)C1,-1.6063461303710938
+CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.561896800994873
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172396659851074
+Cc1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)no1,-1.141156792640686
+Cc1ccc(NCc2ccc(-c3ccccc3)c([O-])c2)cc1,-1.343026876449585
+CC1CCC[C@H](CNC(=O)c2cn(C)c3ccccc23)C1,-1.0512179136276245
+CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCOCC2)CC1,-1.5881521701812744
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0374926328659058
+Cc1nc2ccc(C(=O)NCc3ccc(F)cn3)cc2o1,-1.0734232664108276
+CC(C)Oc1ccc(C[NH+]2CCOC3(CCOCC3)C2)cc1,-1.5878013372421265
+C[C@H]1CCC[NH+](CC(=O)NC[C@H](O)Cc2ccccc2)C1,-1.5868264436721802
+COc1ccc(C(=O)NCC(O)=NC2CCCC(C)C2)cc1,-1.3238571882247925
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.268770456314087
+C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.2752313613891602
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915157556533813
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5234100818634033
+CC1(C)CC[C@@H]1C(=O)Nc1ccnn1-c1ccc(F)cc1,-1.011057734489441
+Cc1ccc(OC(=O)NCC2CCCCO2)cc1,-1.696942925453186
+CC1(C)CN(Cc2ccc(Oc3ccccc3)cc2)CCN1,-1.5200695991516113
+CC[C@H](F)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.230758547782898
+CC(C)(C)CN1CCC(NC(=O)c2ccc(I)cc2)CC1,-1.04257333278656
+O=C(Nc1ccnn1-c1ccc(Br)cc1)[C@@H]1CC[C@H](F)C1,-0.9738011360168457
+CC(=O)Nc1ccc(N2CCN(c3ccccc3Br)CC2)cc1,-1.0646631717681885
+CC1(C)CC[C@@H](C(=O)Nc2ccn(-c3ccccc3)n2)C1,-1.3647245168685913
+O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.1024763584136963
+C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3525595664978027
+C[C@@H]1C(=O)NCC[NH+]1CC(=O)NCc1ccc(Cl)cc1,-1.2060301303863525
+O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1,-1.354284644126892
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0072802305221558
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2204382419586182
+O=C(N1CCCCCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.2397181987762451
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3052949905395508
+C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2cccc(F)c2)C1,-0.9256607890129089
+C[C@H]1C[NH+](Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.2881903648376465
+Cc1cc(NC(=O)c2coc(-c3ccc(O)cc3)n2)n[nH]1,-1.164758563041687
+OC(COCc1cccs1)=NC1CCN(c2ccccc2)CC1,-1.4704405069351196
+COc1ccc([C@@H]2CCC[C@@H]2NC(=O)CC(C)(C)C)cc1,-1.3729519844055176
+C[NH+]1CCC(NC(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-1.016136884689331
+Cc1cccc(NC(=O)NCc2ccccc2)c1,-1.6860568523406982
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3291558027267456
+O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3614205121994019
+Cc1ccc(NC(=O)c2ccccc2I)c(-c2ccccc2)c1,-0.9262027144432068
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.3696131706237793
+CC(C)Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4112449884414673
+O=C(NCC1CCOCC1)N1CCC[C@@H](CCCO)C1,-1.6566619873046875
+Cc1cccc(NC(=O)OCc2ccccc2)c1,-1.6975857019424438
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(N)cc4)CC3)ccc2c1,-0.5652486681938171
+Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCC3(C)C)cc2)o1,-1.1018332242965698
+O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.9106703996658325
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1F)c1ccc(Cl)cc1,-0.8492798805236816
+O=C(NCc1ccc(Cl)c(F)c1)N1CCc2[nH+]ccn2C1,-0.9827602505683899
+COC(=O)c1ccc(C(=O)NC2CCCCC2)cc1,-1.5894949436187744
+O=C(c1ccc(F)cc1F)N1CCC(Oc2ccccc2)CC1,-1.1913433074951172
+C[NH+]1CCC[C@H](NC(=O)c2ccc(CC(C)(C)O)cc2)C1,-1.5189367532730103
+O[C@H]1CCCN(c2ccc(NCc3ccc(Br)cc3)cc2)C1,-1.250089406967163
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.035190463066101
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.091827154159546
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.46084797382354736
+O=C(N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1)c1ccccc1Br,-0.8484627604484558
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0684131383895874
+Cc1ccsc1CNC(=O)Nc1ccc(F)nc1,-1.3026589155197144
+Nc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.0979399681091309
+Cc1cnc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1,-0.5544946193695068
+Fc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1145151853561401
+O=C(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(S)cc1,-1.0539120435714722
+Cc1nc([C@H](C)NC(=O)C(=O)N2CCC(C)CC2)cs1,-0.9171161651611328
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835841059684753
+Cc1ccc(CNC2CCCCC2c2cccc(Br)c2)cc1,-1.0558416843414307
+CCOc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1,-1.5782321691513062
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0090428590774536
+[NH3+][C@]1(c2ccc(F)cc2)C[C@@H]1C(=O)Nc1ccc(F)cc1,-1.087665319442749
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1,-1.2152652740478516
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1841498613357544
+Cc1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1,-0.8770747780799866
+Cc1nnc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)s1,-0.6954252123832703
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.2770124673843384
+Cc1ccc(F)c(NC(=O)N2CCC(c3ccccc3)CC2)c1,-1.0224689245224
+Cc1cc(C(=O)NC[C@H]2C[C@@H]2C2CCOCC2)ccc1Br,-1.0013604164123535
+Fc1ccc(-c2ccc(NCc3cccc(I)c3)nn2)cc1,-0.8646330237388611
+C[C@@H]1CCC[NH+](CCNC(=O)N2CCC3(CCCC3)C2)C1,-1.534340739250183
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@H]1O,-0.9810878038406372
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.031479001045227
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-1.0830497741699219
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9623233079910278
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9694143533706665
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)on1,-1.079972505569458
+C[C@H]1Cc2cc(CNC(=O)c3ccccc3Cl)ccc2O1,-1.0656418800354004
+O=C([C@@H]1CCOC2(CC[NH2+]CC2)C1)N1CCC(c2ccc(F)cc2)CC1,-1.015011191368103
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458266019821167
+Cc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.526105284690857
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cn1,-0.9890062212944031
+Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1,-0.9688054919242859
+Cc1ccc(CCNC(=O)N2CCOC3(CCC3)C2)cc1,-1.5739188194274902
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2ccc(F)cc2)n1,-0.8637968301773071
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5416603088378906
+O=C(NC1CN(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9694755673408508
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4805502891540527
+O=C(Nc1ncccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9169996976852417
+Cc1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.0290944576263428
+O=C(N[C@H]1CCC(F)(F)C1)c1cc(-c2ccccc2)[nH]n1,-1.111877679824829
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9933344125747681
+CCNc1ccc(NC(=O)c2ccc(N)o2)cc1,-1.6134004592895508
+CC(C)(O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.5024303197860718
+c1ccc(N2CCOCC2)cc1,-1.9091776609420776
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1F,-0.8872228264808655
+Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@@H](C)C1,-1.0976455211639404
+O=C(Cc1cccc(Br)c1)NCc1coc2ccccc12,-1.2154266834259033
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0294525623321533
+CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)F)cc2)CC1,-1.2395453453063965
+Cn1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cn1,-0.9767893552780151
+O=C(COc1ccccc1)OCc1ccccc1,-1.7576625347137451
+O=C(N[C@H]1CC[C@](O)(c2ccc(F)cc2)C1)c1ccn[nH]1,-1.5390664339065552
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3632681369781494
+COc1ccc(C(=O)NCc2ccc(C)o2)cc1,-1.638582706451416
+c1cc(N2CCCCC2)ccc1Cc1nc(N2CCCCC2)no1,-1.27852463722229
+c1ccc(C2CCCN2Cc2ccc(N3CCCCC3)cc2)cc1,-1.289889931678772
+O=C(COc1ccccc1)OCc1ccccc1,-1.7576876878738403
+O=C(NCC1CCCCC1)Nc1ccc(Br)cn1,-1.496964931488037
+O=C1C[C@@H]([NH2+]CC2CCCCC2)CN1c1ccc(Br)cc1,-1.2974480390548706
+O=CN1CCC(N2CCOCC2)CC1,-1.7972261905670166
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600589752197266
+COc1cc(NC(=O)[C@@H](C)c2nc3ccccc3[nH]2)ccc1F,-0.7750659584999084
+C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.1965546607971191
+C[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1,-0.9949204921722412
+C[C@@H]1CN(C(=O)c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,-0.7521663308143616
+O=C(Cc1cccs1)N1CCN(C(=O)c2ccccc2)CC1,-1.3937911987304688
+[NH3+]C1CCC(NC(=O)c2cccc(-c3ccccc3F)c2)CC1,-0.9772213697433472
+O=C(c1ccc(O)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1581755876541138
+Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.2222996950149536
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.2002755403518677
+C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0700873136520386
+CN1CC[C@@H](C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1=O,-1.0995473861694336
+C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.283599853515625
+COc1ccc(CNC(=O)c2cnc(C)s2)cc1,-1.5748412609100342
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.120548129081726
+Cc1ccc(CC(=O)NCc2nc(C)c(C)o2)cc1,-1.3978548049926758
+Cn1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)cn1,-1.068913459777832
+O=C(N[C@@H]1CC12CCCCC2)c1cccc(-c2ccccc2)c1,-1.47115159034729
+O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)s1,-1.0296825170516968
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8441495299339294
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.198501706123352
+C[C@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2279410362243652
+C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CC3(C)C)c2)CC1,-1.1551811695098877
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2193915843963623
+Cc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3)C2)c(O)c1,-1.2690109014511108
+O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccccc1O,-1.1812103986740112
+Cn1cc(NC(=O)c2cccs2)c(-c2ccc(Cl)cc2)n1,-0.9370375275611877
+C[C@@H]1CCCN(C(=O)[O-])C1,-1.8941880464553833
+CC(C)C[C@H](C)C(=O)NCC1CCC(n2cncn2)CC1,-1.171789526939392
+Cc1ccc(C(=O)CNC(=O)c2cccc(C)c2)cc1,-1.4767519235610962
+Nc1ccc(CNC(=O)CCc2cccc(Br)c2)c(F)c1,-1.0521361827850342
+C[C@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.508155345916748
+CC(C)CC[NH+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2)C1,-1.3452706336975098
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9715534448623657
+C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)CC1,-1.3531992435455322
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cn1,-1.2326358556747437
+C[C@@H]1CCCCN(C(=O)Nc2ccccc2N2CCOCC2)C1,-1.2970572710037231
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.3947505950927734
+O=C(O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1,-1.0756012201309204
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.8958423137664795
+O=C(c1ccc2c(c1)OCO2)N1CCC(c2c[nH]c3ccccc23)CC1,-0.7099824547767639
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1,-1.0278595685958862
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2O)CC1,-1.0242635011672974
+COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1,-1.0266817808151245
+O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(C2CC2)CC1,-0.8828282356262207
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210202097892761
+O=C(c1ccccc1O)N1CCN(Cc2cccc(F)c2)CC1,-1.1280581951141357
+C[NH+]1CCCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1,-1.2472426891326904
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0109161138534546
+Cc1cc(C(=O)N2CCN(C(C)C)CC2)nn1-c1ccccc1,-0.8434215784072876
+O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1c1ccc(F)cc1,-1.3191604614257812
+CO[C@@H]1CCCN(C(=O)NCc2ccc(C)s2)C1,-1.5617730617523193
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.0197837352752686
+O=C(NCCc1ccc(F)cc1)[C@@H]1CO[C@]2(CCSC2)C1,-1.5095640420913696
+O=C(c1ccccn1)N1CC[NH+](Cc2cc(F)ccc2F)CC1,-0.9135752320289612
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4287097454071045
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)cn2)cc1,-1.024990200996399
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1403701305389404
+Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)o1,-1.2626696825027466
+CCc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1455799341201782
+O=C(NC[C@@H](O)c1ccc(Cl)cc1F)c1cc2ccccc2o1,-0.8744788765907288
+Cc1ccc(CCC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1,-1.5962480306625366
+O=C(NCc1ccccn1)N1CCCC[C@@H]1CCCO,-1.5699964761734009
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0112632513046265
+O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-1.015324354171753
+C[C@H]1CN(C(=O)Nc2ccc(F)cc2)CC[C@@H]1c1ccccc1,-1.0519829988479614
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9425546526908875
+CC(C)C1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1,-1.0888038873672485
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2357701063156128
+CC1CC(C)CN(C(=O)Nc2ccc(C(=O)O)cc2)C1,-1.1998895406723022
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1ccc(O)cc1,-1.1266453266143799
+O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1,-0.9003735780715942
+CC(C)CC[C@H](O)CNC(=O)c1ccc(-c2ccccc2)cc1,-1.5007857084274292
+Nc1ccc(C(=O)NC2CC(c3ccc(Br)cc3)C2)cc1,-1.0343806743621826
+O=C(c1cc(Br)ccc1F)N1CCN(Cc2ccccc2)CC1,-0.942907452583313
+Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1,-1.1701700687408447
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898267984390259
+Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1,-0.9719336628913879
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.154783010482788
+O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1ccc(F)c(F)c1,-0.4721671938896179
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6985903978347778
+CC1(C)C[C@@H](CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)C1(C)C,-1.1904897689819336
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccsc2)CC1,-1.0157930850982666
+O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2cccc(F)c2)CC1,-0.7782762050628662
+Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1,-1.0245884656906128
+CC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1,-1.3202593326568604
+COC(=O)c1ccccc1NC(=O)c1ccccc1,-1.5973488092422485
+Cc1cc(C(C)C)c(C)cc1NC(=O)c1ccc(F)cc1,-0.8973271250724792
+C[NH+]1CCC[C@@]2(CN(C(=O)c3ccc(-c4ccccc4)cc3)CCO2)C1,-1.2374025583267212
+O=C(NCc1ccc(Br)cc1)NC1CCSCC1,-1.4972432851791382
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[nH]ncc2c1,-1.0527734756469727
+CC(C)(O)CNC(=O)C[C@H]1CCCN(c2ccccc2)C1,-1.6252943277359009
+Fc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1,-1.3629194498062134
+CN1C(=O)CC[C@@H]1NC(=O)c1ccccc1-c1ccccc1,-1.1649218797683716
+O=C(c1ccccc1)N1CCC(Nc2ccc(F)cc2Cl)CC1,-0.8877618312835693
+CC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.4768034219741821
+CC(C)(CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-1.054617166519165
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1336085796356201
+CC[NH+]1CCC[C@@H](C(=O)N2CCC(c3ccc(F)cc3)CC2)C1,-0.9874969720840454
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,-1.144250750541687
+CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5527703762054443
+O=C(Nc1ccccc1Br)[C@@H]1CCCCN1c1ccc(F)cc1,-0.8443683385848999
+CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1178760528564453
+Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.1469473838806152
+CC(C)(O)CC(=O)NC[C@@H]1CCO[C@H](c2ccccc2)C1,-1.6450026035308838
+O=C(Nc1ccc(Cl)cc1F)c1cccc(C(F)(F)F)c1,-0.8710686564445496
+O=C(c1cc(F)ccc1F)N1CC[NH+](C[C@H]2CCCOC2)CC1,-1.0114346742630005
+Fc1ccc(OCc2ccccc2)cc1,-1.7760592699050903
+Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.3446921110153198
+CC(C)C(=O)Nc1ccc(-c2nnc(C3CCCCC3)o2)cc1,-1.03849196434021
+C[C@H]1C[C@@H](NC(=O)c2ccc(CC(F)(F)F)cc2)CCO1,-1.2737504243850708
+O=C(c1ccc(Br)c2cccnc12)N1CCN(c2ccc(F)cc2)CC1,-0.3008289635181427
+CC(C)(O)Cc1ccc(NC(=O)c2ccc(N)cc2)cc1,-1.568906545639038
+CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4018195867538452
+O=C(NCC(F)(F)F)C1CCN(c2ccc(Br)cc2)CC1,-0.8408923745155334
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9935884475708008
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9573001265525818
+CN(C)c1ccc(C(=O)NCC2CCCC2)cc1,-1.5983622074127197
+Clc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1Cl,-1.0598565340042114
+O=C(NCc1ccc(Br)cc1)Nc1ccccc1,-1.5740408897399902
+O=C(Nc1cc(F)ccc1-c1ccccc1)c1ccccc1Cl,-0.9206357002258301
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nn1,-1.0390894412994385
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.6801788806915283
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0680776834487915
+CC(C)Cc1ccc(C(=O)Nc2ccc(Br)c(O)c2)cc1,-1.0689060688018799
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.106019377708435
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1780675649642944
+CC(C)(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)nc2)CC1,-1.0031945705413818
+O=C(Nc1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.7748382687568665
+CC(O)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1,-1.28653085231781
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)n2)c(C)c1,-1.0391473770141602
+O=C1C[C@H](NC(=O)C2CCC(c3ccccc3)CC2)CCN1,-1.2729158401489258
+Cc1nc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)no1,-1.134384274482727
+CC(=O)N1CCc2ccc(NC(=O)c3ccccc3)cc2C1,-1.1573542356491089
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.150870680809021
+C[NH+]1CCN(CC(C)(C)C)CC1,-1.830737829208374
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.085412621498108
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1O,-1.1533451080322266
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.419717788696289
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2O)cc1,-1.4163614511489868
+O=C(Cc1cccc(Br)c1)NCc1cc2ccccc2o1,-1.3374669551849365
+Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)O)CC2)cc1,-1.5289068222045898
+Cc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1,-1.1818647384643555
+CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5623431205749512
+O=C(NC[C@H]1CCC[C@H](O)C1)NC1CCCCC1,-1.6555569171905518
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.10785710811615
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1,-0.9162514209747314
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166120767593384
+O=C(c1ccc(Cl)cn1)N1CCC(CCc2ccccc2)CC1,-1.2022793292999268
+Cc1ccc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1,-0.534050703048706
+Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1022889614105225
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0478603839874268
+Cc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.305829644203186
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1481348276138306
+Cc1cccc(F)c1C(=O)NC1CCN(c2ccccc2)CC1,-0.9998566508293152
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4456455707550049
+Cc1ncc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1Br,-0.7890729308128357
+Cc1cnc2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2n1,-0.6898940205574036
+c1ccc(-c2nc(C[NH2+]Cc3cccs3)no2)cc1,-1.615159034729004
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-0.9981248378753662
+Nc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.4932038486003876
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1,-1.0384670495986938
+Fc1ccc(CNc2ncccc2N2CCOCC2)cc1F,-0.9688546657562256
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2883952856063843
+O=C1CC(COc2ccccc2)CN1c1ccc(F)cc1,-1.5568714141845703
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9239624738693237
+O=C(Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1)C1CCCC1,-1.095078468322754
+CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5549556016921997
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3491129875183105
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1879441738128662
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1988815069198608
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0314031839370728
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0269430875778198
+Cc1cccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c1,-1.0845513343811035
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.1450955867767334
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1,-1.4673746824264526
+C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCCO2)C1,-1.6695992946624756
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.194865107536316
+O=C(c1ncccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1,-0.8472642302513123
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0307782888412476
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.2413724660873413
+C[C@@H]1CCCN(CC(=O)NCC[NH+]2CCC(C)(C)CC2)C1,-1.5236824750900269
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)o1,-1.2289642095565796
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(Br)cc1F,-0.9426769614219666
+CCc1ccc(NC(=O)c2cc3n(n2)C[C@@H]([NH3+])CC3)cc1,-0.9661876559257507
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700045824050903
+Cc1ncc(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)[nH]1,-0.9097511768341064
+O=C(NCc1cccc(F)c1)N1CCC2(CCCO2)CC1,-1.5353553295135498
+Fc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1567641496658325
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9624231457710266
+O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2nccn2c1,-0.9753434658050537
+COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1,-1.026684284210205
+Cn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21,-1.0004987716674805
+O=C(Nc1ccc(-c2ccccc2)cc1Cl)c1ccc(F)cc1,-0.9618155360221863
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.6120495796203613
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.5095088481903076
+CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4370863437652588
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.186585545539856
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.038092017173767
+[NH3+][C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1876569986343384
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.4594683647155762
+O=C(Nc1ccc2nonc2c1)N1CCC[C@@H]1c1ccccc1,-1.0363608598709106
+O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,-1.3030674457550049
+O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(Cl)cc1,-1.0622739791870117
+O=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccccc2)CCC1,-1.353653907775879
+COc1ccc(CCC(=O)NCc2ccccc2)cc1,-1.6416314840316772
+Cc1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1,-1.58148992061615
+O=C1NCCN1c1ccc(Cl)cc1,-1.6883153915405273
+O=C([O-])Cc1ccc(C(=O)Nc2ccc([O-])cc2)cc1,-1.5554587841033936
+Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1,-0.9725459218025208
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1,-1.091296911239624
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0136268138885498
+[NH3+][C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.0004297494888306
+O=C(CCc1ccccn1)Nc1ccc(-c2ccccc2)cc1,-1.493154525756836
+O=C(NCc1ccc(O)cc1)N1CCC2(CCCC2)CC1,-1.5440195798873901
+CCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCC)C1CCCCCC1,-1.1500169038772583
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(O)cc1,-1.2474933862686157
+Cc1cc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2)no1,-1.5081838369369507
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0986937284469604
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.158477544784546
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9582093954086304
+Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(Br)cc1,-0.9884449243545532
+C[C@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.0628576278686523
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1[NH+]1CCCCC1,-0.943106472492218
+C[NH+]1C[C@H](C(=O)NCc2ccc(Br)cc2)C(C)(C)C1,-1.1569937467575073
+O=C(C[C@@H](O)C1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1,-1.0825731754302979
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.8997059464454651
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292279720306396
+O=C(N[C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1C1CCCC1,-1.1350126266479492
+Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@H](C)C1,-1.2148423194885254
+CC1(C)CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.5595004558563232
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0778042078018188
+Cc1ccc(C(=O)N2CCC3(C2)OC[C@H]3c2ccc(F)cc2)cc1,-1.0533300638198853
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3008404970169067
+CC(C)(O)CC(=O)N1CCC[C@@H](OCc2ccccc2)C1,-1.598512887954712
+O=C(NCc1cccc(F)c1)c1c[nH]c2ccc(Br)cc12,-0.9790740013122559
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.3698569536209106
+c1ccc(COc2ccccc2N2CCc3ccccc3C2)cc1,-1.2314352989196777
+Cn1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1,-1.039985179901123
+COc1ccc(CNc2ccc3cc(Br)ccc3n2)cc1C,-0.8105787634849548
+Nc1cccc(NC(=O)Cc2ccc(C(=O)O)cc2)c1,-1.5330603122711182
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2cccc(F)c2)n[nH]1,-1.212228536605835
+C[C@H]1CCCC[NH+]1C1CCN(C(=O)Nc2ccc(F)cc2)CC1,-0.9491224884986877
+O=C(c1ccccc1Cl)N1CCC(Oc2ccc(F)cc2)CC1,-1.0137640237808228
+Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9906995892524719
+Nc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.125618577003479
+Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(c2ccccc2)C1,-0.9737368226051331
+O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)nc1,-1.1775306463241577
+C[NH+]1CCC[C@@]2(CCCN(C(=O)NC[C@H]3CCOC3)C2)C1,-1.5413570404052734
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3Br)C2)cc1,-0.9504315853118896
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172369241714478
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9584309458732605
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4320467710494995
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5095359086990356
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.4318209886550903
+C[C@H](CCc1ccccc1)NC(=O)N1CC[NH+](C)[C@H](C)C1,-1.385239601135254
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8999701142311096
+CCCCCCCCCCCCCCCCCCCOc1ccc(NCCN)cc1,-1.5061215162277222
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(O)cc1,-1.4910553693771362
+CC(=O)c1ccc(NC(=O)N2CCOC(C)(C)C2)cc1,-1.5629438161849976
+Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.963857114315033
+Cc1cc(Cl)ccc1CN1CCN(C(=O)C2CCCCC2)CC1,-1.0018117427825928
+O=C(Nc1ccc(-c2ccccc2F)cc1)N1CCC[C@H](F)C1,-0.9748178124427795
+O=C(NCC(F)(F)F)c1ccc(-c2ccc(Br)cc2)cc1,-0.9602118730545044
+O=C1NCCN(C(=O)NC2CCCCC2)[C@@H]1c1ccccc1,-1.2589231729507446
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5055385828018188
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.266798973083496
+CCCCCCCCCCCCNCc1ccc(OCC)cc1,-1.6386501789093018
+O=C(Nc1ccccc1)N1CCC(=O)N(c2ccccc2)C1,-1.4588985443115234
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0785222053527832
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3C)CC2)c1,-1.1509003639221191
+O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1,-1.0250459909439087
+Cc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)cc1,-1.1012648344039917
+O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1,-1.6162924766540527
+Cc1cc(NCC[NH+]2CCCCC2)n(-c2ccc(F)cc2)n1,-1.0728082656860352
+O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.9116283059120178
+O=C(N[C@H]1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1F,-1.0747950077056885
+Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0454747676849365
+Cc1cccc(CC(=O)NCc2ccccc2)c1,-1.672617793083191
+Cc1nc2cc(F)cc(C(=O)NCC3CCOCC3)c2o1,-0.974281907081604
+Cc1nc(NC(=O)NC2CC3(CCC3)C2)ccc1Cl,-1.088879942893982
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cs1,-0.8237746953964233
+Cc1ccccc1C(=O)NC1CCN(C(=O)C(C)(C)C)CC1,-1.054761290550232
+CCC1CC[NH+](Cc2ccc3nc(-c4ccccc4)sc3c2)CC1,-0.8810784220695496
+Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1,-1.2279348373413086
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0416285991668701
+Cc1ccccc1NC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.0712028741836548
+O=C(NCC(=O)N1CCC(O)CC1)c1cccc(F)c1,-1.4166816473007202
+COc1ccc(C2CCN(C(=O)NC(C)C)CC2)cc1,-1.361977458000183
+Cc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1F,-0.7937080264091492
+CCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1,-1.3301708698272705
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.256210207939148
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.2150765657424927
+NC(=O)c1ccc(NC(=O)N2CCCC23CCOCC3)cc1,-1.441563367843628
+Fc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccc(F)cc3)C2)cc1,-1.111116647720337
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.253174066543579
+Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4006481170654297
+Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(C)c1,-1.1723765134811401
+Cc1cc(I)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0302305221557617
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.072324275970459
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8000965118408203
+Cc1ccc(CN2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.5225677490234375
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2777960300445557
+Cc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)ccc1F,-1.0815192461013794
+O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9815057516098022
+Cc1ccc(C(=O)Nc2cc(-c3cccc(F)c3)on2)o1,-1.3515077829360962
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.8639587759971619
+O=C(N[C@H](CO)c1ccc(F)c(F)c1)c1ccc(Cl)cc1,-0.9163200259208679
+CC(C)C(C)NC(=O)N1CCCCC1c1ccc(Br)cc1,-0.9673073887825012
+O=C(c1ccccc1Br)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9754701256752014
+Fc1ccc(CNc2ccccc2-c2ccc(Br)cc2)cc1,-1.1853044033050537
+Fc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1,-1.003540277481079
+Cc1ccccc1CC(=O)N[C@H]1CCCC[C@H]1c1ccccc1,-1.2728921175003052
+COc1ccc(C(=O)NC[C@H]2CCOC2)cc1Br,-1.5444532632827759
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)n1,-1.0497515201568604
+O=C1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0999516248703003
+COc1ccc(CNC(=O)c2ccc(C)s2)cc1,-1.576480746269226
+O=C(Cn1ccc2cc(F)ccc21)N1CCN(c2ccc(F)cc2)CC1,-0.6352187991142273
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730145931243896
+Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)ns2)n1,-0.7257251739501953
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)C[C@@H](C)O1,-1.5591704845428467
+c1cc(N2CCOCC2)ccc1Cc1noc(C2CCCCC2)n1,-1.2081161737442017
+Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1,-1.031601071357727
+CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5509321689605713
+Cc1cc(NC(C)c2ccccc2)nn1-c1ccc(Cl)cc1,-0.9242181777954102
+CCOc1ccc(NCCc2ccc(Cl)cc2)cc1,-1.5766074657440186
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.513574481010437
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1702117919921875
+[O]c1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.420400619506836
+CC(C)(C)C(=O)N1CCC(NC(=O)c2cccnc2Cl)CC1,-0.8000972270965576
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.166229009628296
+Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s1,-0.8601128458976746
+O=C(NCC[NH+]1CCOCC1)N[C@H]1CC12CCC2,-1.678457260131836
+Cc1ccc(-c2noc(C[NH+]3CCC[C@@]4(CCC[NH+](C)C4)C3)n2)cc1,-0.9970427751541138
+Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1,-1.3507508039474487
+Nc1ccc(N2CCC(NC(=O)c3ccccn3)CC2)c(F)c1,-0.9823139309883118
+Nc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1,-1.0748478174209595
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6736302375793457
+O=C(N[C@@H]1CC12CCC2)N1CCC[C@@H](c2ccccc2)C1,-1.4014428853988647
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.454152226448059
+Cc1nc(NCc2ccc(I)cc2)cc(-c2ccccc2)n1,-0.8581472635269165
+O=C(Cc1ccc(F)cc1)Nc1ccccc1N1CCSCC1,-1.1217412948608398
+CNCC(=O)N1CC[C@@H](C)C1,-1.8633984327316284
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(F)cc1,-1.6160444021224976
+O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCN(c2ccccc2)C1,-1.11214017868042
+Cc1nn(-c2ccccc2F)cc1C(=O)Nc1ccc(F)cc1,-0.805403470993042
+COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.5394062995910645
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.0898864269256592
+Cc1ccc(NC(=O)c2ccccc2Cl)cn1,-1.3785253763198853
+O=C(Nc1ccc(-c2cccc(Br)c2)cc1)[C@H]1CCCC[C@@H]1O,-1.026649832725525
+Cc1cccc(NC(=O)C[NH+]2CC(c3ccccc3)C2)c1,-1.5396511554718018
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0852787494659424
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0621601343154907
+CC(C)C[NH+]1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1,-0.9397050142288208
+Cc1cc(I)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9053244590759277
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421414136886597
+Cc1cnc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)s1,-0.6896591186523438
+CN1CCN(c2ccc(COc3cccc(Br)c3)cc2)CC1,-1.237884521484375
+Cc1ccc(N=C(O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.2184189558029175
+CC(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCCN2,-0.8950284123420715
+O=C(N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1)C1CCCCCC1,-1.2167080640792847
+Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F,-1.0722193717956543
+O=C(N[C@@H]1CCN(c2ccccc2)C(=O)C1)C1CCCCC1,-1.3244329690933228
+Cc1ccc(OCc2nc(-c3ccc(Cl)cc3Cl)no2)cc1,-0.8386096358299255
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1,-1.1861956119537354
+C[C@H]1C[C@@H](C(=O)NC2CC(c3ccc(F)cc3)C2)CCO1,-1.2346218824386597
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(I)c1,-0.9215937852859497
+O=C(COc1ccccc1)NCc1ccccc1,-1.747041940689087
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.349351167678833
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0394970178604126
+O=C(NCC(O)=NCc1ccc(Br)cc1)c1ccccc1F,-1.1387355327606201
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1,-1.0442321300506592
+O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)CC1,-1.2403552532196045
+Nc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-0.9935073256492615
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@H](O)C1,-1.4457858800888062
+O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(C2=CC[NH2+]CC2)CC1,-0.9805188179016113
+O=C(Nc1ccc(I)cc1)c1ccc(N2CCOC2=O)cc1,-1.120314121246338
+Cn1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)cc2)n1,-1.2730110883712769
+Cc1nc2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2o1,-1.1231440305709839
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1364043951034546
+C[C@H]1CCCN(C(=O)COc2ccc(N3CCNCC3)cc2)C1,-1.2951416969299316
+CC1(C)CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1,-1.5232839584350586
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.9949246644973755
+CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1,-1.1121795177459717
+CC1CCC(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1,-1.231539249420166
+COc1ccc(N2CCN(C(=O)c3cccc(N)c3)CC2)cc1,-1.1122061014175415
+O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1,-1.224369764328003
+CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)o1,-1.6608508825302124
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679377555847168
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Br,-0.9806354641914368
+O=C(NC1CCCCCC1)N1CCN(c2cccc(Cl)c2)CC1,-1.0974986553192139
+O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nc[nH]c12,-1.1143230199813843
+Cc1ccc(C(=O)NCC(O)Cc2ccc(Cl)cc2)cc1,-1.3859734535217285
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0269423723220825
+Cc1csc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n1,-0.9305394887924194
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1385853290557861
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCOCC1,-1.259842872619629
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.0331809520721436
+C[NH+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1,-1.3815333843231201
+Cn1cc(CC(=O)N2CCC[C@H]2CC2CCCCC2)cn1,-1.3109771013259888
+Fc1ccc(N2CCC(COc3ccc(Cl)cc3)CC2)nc1,-1.0795469284057617
+C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1,-1.1935285329818726
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1Cl,-1.0854732990264893
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-0.9944186806678772
+C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(O)cc1,-1.4675270318984985
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1100267171859741
+O=C(c1ccc2ncc(O)nc2c1)N1CCN(c2cccc(F)c2)CC1,-0.4961576461791992
+CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1,-1.220630168914795
+C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccccc2)CC1,-1.3021156787872314
+COc1cccc(C(=O)NCc2csc(C)n2)c1,-1.4403576850891113
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)C2)c(C)c1,-1.1103304624557495
+C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5614055395126343
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4264495372772217
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1,-1.4135031700134277
+c1ccc(C2CCC(CNc3cccc4ccccc34)CC2)cc1,-1.1381340026855469
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.424170732498169
+Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6701070070266724
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1[O-],-1.150662899017334
+O=C(Nc1ncccc1Cl)N1CCC[C@H](c2ccc(F)cc2)C1,-0.7760356068611145
+O=C(N[C@H]1CCOC[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0239685773849487
+CC(C)(C)N1CCC[C@H](NC(=O)c2cc(Br)ccc2N)C1,-0.7877779006958008
+Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.0329006910324097
+Nc1ccc(C2CCN(C(=O)Nc3ccccc3N)CC2)cc1,-1.007010817527771
+COc1ccc(COc2cccc(S(N)(=O)=O)c2)cc1,-1.5607244968414307
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccnc1Br,-0.7694714069366455
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.371002197265625
+Cc1cc(Br)ccc1NC(=O)N1CCO[C@@H](C(C)(C)C)C1,-0.9804087281227112
+Cc1ccc(-c2nc(C(=O)N[C@H]3CC[NH+](C)C3)cs2)cc1,-1.1419166326522827
+Cc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1,-1.400659441947937
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F,-1.0410592555999756
+C[C@@H](Cc1ccc(F)cc1F)C(=O)NCc1ccccc1,-1.356833577156067
+Cc1cc(-c2ccccc2)nc(C)n1,-1.5473642349243164
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(I)cc1,-1.0063037872314453
+FC1(F)CCC[C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1,-1.5183216333389282
+O=C(C[C@H](O)c1ccc(F)cc1)NCc1ccc(Cl)cc1,-1.3100528717041016
+O=C(N[C@H]1CCN(C2CCCCC2)C(=O)C1)N1CCCCC1,-1.2275121212005615
+c1ccc(Cc2ccc3c(c2)CCN(Cc2ccccc2)C3)cc1,-1.3043146133422852
+CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3525526523590088
+Nc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2ccccc2)C1,-0.9940958023071289
+Fc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.2469497919082642
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1,-1.4405924081802368
+C[C@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(F)cc1,-1.3535414934158325
+Cc1ccc(CN2CCN(Cc3ccccc3)[C@H](C)C2)cc1,-1.436934232711792
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)C1,-0.988662600517273
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0924824476242065
+O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nc(-c2ccccc2)no1,-1.1247540712356567
+CCCc1ccccc1C(=O)Nc1ccc2[nH]c(=O)sc2c1,-1.0162937641143799
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.012548804283142
+CC(=O)N1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1,-1.5926355123519897
+CN(C(=O)c1ccc(Br)cc1)C1CCN(c2ccccc2)CC1,-1.0765953063964844
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9355422258377075
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874235987663269
+CC(O)=Nc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1,-0.8899514079093933
+CC1(CNC(=O)C(C)(C)c2ccccc2)CCCCCC1,-1.5644994974136353
+O=C(COC(=O)c1ccccc1)Nc1ccccc1,-1.732149600982666
+Nc1ccccc1C(=O)Nc1ccc(Cl)cc1-c1ccccc1,-1.0472232103347778
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1,-1.0274349451065063
+Cc1c(Cl)cccc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.0719188451766968
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1368770599365234
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5289461016654968
+Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2273621559143066
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)n1,-1.1040093898773193
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0349186658859253
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2160621881484985
+Cc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2428864240646362
+CCOc1cccc(NC(=O)[C@@H]2CCCCC[NH+]2C)c1,-1.5516785383224487
+CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2197718620300293
+Cc1cccc(C(=O)NC2CCN(CC(=O)O)CC2)c1,-1.546608805656433
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2)C1,-1.2187261581420898
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536174774169922
+O=C(c1ccc(Cl)cc1)N1CCN(CC[NH+]2CCOCC2)CC1,-1.2392946481704712
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084967851638794
+Fc1ccc(-c2nc3c(o2)C[NH+](Cc2ccc(F)c(F)c2)CC3)cc1,-0.4629361629486084
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5009000301361084
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1,-0.9804320335388184
+O=C(Nc1cc(O)ccc1O)c1ccc(-c2ccccc2)cc1,-1.3426021337509155
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.115049123764038
+Clc1ccc(-c2ccc(CNc3cccc(Cl)c3)cc2)cc1,-1.0970205068588257
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0318377017974854
+CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.627023458480835
+Cc1ccc([C@H]2CN(C(=O)NC3CCCCCC3)CCO2)cc1,-1.3565384149551392
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.966399073600769
+Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4240243434906006
+CC(=O)Nc1ccc(C(=O)N2CCCC(C)(C)C2)cc1,-1.4207392930984497
+O=C(c1ccccc1)N1CCC(Oc2ccc(F)cc2F)CC1,-1.0895767211914062
+Cc1cccc(CN2CCN(C(=O)c3ccccc3C)CC2)c1,-1.162819266319275
+[NH3+][C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1,-1.4058417081832886
+O=C(NC1CCCC1)N1CC[NH+](CC2CC2)CC1,-1.6158185005187988
+O=C(Cc1ccc(Cl)cc1)NCc1cc2ccccc2[nH]1,-1.275822401046753
+O=C(N[C@H]1CC12CCOCC2)c1ccc(-c2ccccc2)nn1,-1.1914719343185425
+O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0940667390823364
+O=C(NCC1CC1)c1cnnn1-c1ccccc1,-1.6032135486602783
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1353833675384521
+Cc1nc2cc(C(=O)NCc3cccc(F)c3)ccc2s1,-0.8581171631813049
+O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Br)c(Cl)c1,-1.1575263738632202
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1438684463500977
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)N1CCCC1,-1.5013209581375122
+Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9881501197814941
+Cc1ccc(CNC2CCCN(c3ccc(Cl)cc3)C2)cc1,-1.1334799528121948
+C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1134881973266602
+OC(CN1CCN(c2ccc(F)cc2)CC1)=NCCc1ccc(F)cc1,-0.9717490077018738
+O=C(N[C@H]1CCCC[C@H]1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.1007933616638184
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1,-0.7890863418579102
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1574299335479736
+CN1CC(CNc2ccc(N3CCCCC3)cc2)CC1=O,-1.5349293947219849
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(O)c1,-1.497892141342163
+CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)C2)C1,-1.6446077823638916
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.5097907781600952
+O=C(C1CCCc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1,-0.7711085081100464
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.871708333492279
+Cc1ccc(-c2ccc(NC(=O)[C@H]3CCCCO3)cc2)cc1C,-1.2958272695541382
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502542734146118
+CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9028404355049133
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1908957958221436
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)o1,-1.1224596500396729
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)n[nH]1,-0.8743295073509216
+C[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1,-0.9749746918678284
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1238571405410767
+CN1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.391007661819458
+O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@@H]1c1ccccc1,-0.8934668898582458
+O=C(N[C@@H]1CCCN(c2cccc(Cl)c2)C1)c1ccccc1F,-0.977497935295105
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-1.0013349056243896
+C[C@H]1C[NH+](C)CCN1c1ccccc1,-1.776108741760254
+C[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O,-1.0739898681640625
+CN(C(=O)N1CCO[C@](C)(c2ccccc2)C1)c1ccccc1,-1.489331603050232
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480188131332397
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.0608850717544556
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0336447954177856
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.1176183223724365
+CC(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1,-1.0446991920471191
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731264352798462
+Brc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9960963726043701
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9797479510307312
+CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4440279006958008
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Cl)c2)n[nH]1,-1.0017118453979492
+Fc1cccc(-c2cc(Cl)nc(NCc3ccccc3)n2)c1,-0.8282395601272583
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1129509210586548
+Cc1ccc(C(=O)Nc2cc(F)ccc2C(N)=O)cc1,-1.182413101196289
+CC(=O)Nc1ccc(C=O)cc1,-1.8796519041061401
+Cc1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1,-0.9305084943771362
+CC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1293267011642456
+Nc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9805410504341125
+Cc1cc(O)ccc1OCc1noc(-c2ccc(F)cc2)n1,-1.0507484674453735
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)o1,-1.1224501132965088
+C#CCOc1ccccc1NC(=O)c1ccccc1,-1.647630214691162
+[NH3+][C@@H]1CCC[C@H](NC(=O)NCC2CCOCC2)C1,-1.646669626235962
+CCOC(=O)N1CCC(N[C@H]2CCN(C)C2)CC1,-1.598857045173645
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Br)s2)CC1,-0.9637829661369324
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700117349624634
+Cn1ccc(CC(=O)Nc2ccnn2-c2ccccc2)n1,-1.5008461475372314
+O=C(NC1CC1)c1ccc(Cl)cc1,-1.7494267225265503
+CCS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1,-1.2449220418930054
+CC(C)CC[NH+]1CCN(C(=O)NC2CC3(CCOCC3)C2)CC1,-1.525510311126709
+C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCC1CCCC1)CCO2,-1.633427381515503
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9682263135910034
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)nn1,-0.8500610589981079
+O=C(NC(C(=O)O)C(=O)c1ccccc1)c1ccccc1,-1.53660249710083
+Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1,-1.1050015687942505
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848592281341553
+COc1ccc(CNC2CCC(C(C)C)CC2)cc1,-1.5204226970672607
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2O)cc1,-1.192702054977417
+CC1(C)CC(NCc2ccc(-c3ccccc3)cc2)CCO1,-1.5351057052612305
+O=C(c1ccc(OCC(F)(F)F)cc1)N1CCCC(O)C1,-1.3067653179168701
+Cc1cc(CC(=O)N2CC[C@@H](Cc3ccccc3)C2)on1,-1.5278403759002686
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.2096800804138184
+CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2O)CC1,-0.8660580515861511
+Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3s2)cc1,-0.9324724078178406
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0308054685592651
+CCOc1ccccc1NCc1ccc(F)cc1Cl,-1.2724030017852783
+COc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.5104163885116577
+O=C(CN1CCc2ccc(F)cc21)NCc1ccccc1,-1.2867529392242432
+Cc1cc(Cl)ccc1NC(=O)N1CCC(C2CCCCC2)CC1,-0.8592073321342468
+O=C(Cn1cc2ccccc2c1)NCc1ccc(F)cc1,-1.4054701328277588
+[NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3F)cc2)C1,-1.0163244009017944
+Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C)C2)c2ccccc2n1,-1.0337971448898315
+Nc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.429602861404419
+O=C(C1CCCCC1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1,-1.0732707977294922
+O=C(N1CCC(c2ccc(F)cc2)CC1)N1CCOC2(CCCCC2)C1,-1.04319429397583
+Cc1ccc(C(=O)N[C@@H]2CCC[NH+]([C@@H]3CCC[NH+](C)C3)C2)cc1,-1.1285980939865112
+C[C@@H]1CC2(CCCCC2)CN1C(=O)NCc1ccccc1,-1.5350053310394287
+C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2469894886016846
+O=C1CCCN1c1ccc(NCc2ccc(Br)cc2)cc1,-1.3639484643936157
+Fc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.3227859735488892
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.1619043350219727
+O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1,-1.5853644609451294
+O=C(NCC1CCCC1)Nc1ccc(Cl)cc1Cl,-1.142210602760315
+O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC[C@@H](F)C1,-1.0918265581130981
+Fc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1Cl,-1.2554477453231812
+Cc1cc(Br)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-0.982201099395752
+Cc1nc(-c2ccc(CNC(=O)CCC(C)C)cc2)no1,-1.310173749923706
+Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3796414136886597
+C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.1870050430297852
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3710740804672241
+CCN=C(O)N1CCC(NC(=O)c2ccc(OC)cc2)CC1,-1.3032612800598145
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)o1,-1.160780906677246
+C[C@H]1CCN(C(=O)c2c[nH]c(=O)n2-c2cccc(F)c2)C[C@@H]1C,-0.6151612401008606
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCSC[C@@H]1c1ccc(F)cc1,-0.9070112705230713
+CC(C)[NH+]1CC[C@@H](C(=O)NCc2ccccc2)C1,-1.6101046800613403
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-1.3563283681869507
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2039355039596558
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.283739686012268
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2s1,-0.8855234980583191
+C[NH+]1CC[C@H](CNC(=O)c2cc(F)c(Br)c(F)c2)C1,-0.6827659010887146
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(F)cc1,-1.1052188873291016
+O=C(C(=O)N1CCC2(CCCC2)C1)N1CCN(c2ccccc2)CC1,-1.1409131288528442
+CCNc1ccc(NC(=O)c2coc(C)n2)cc1,-1.6020218133926392
+C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(O)cc2)C1,-1.575607180595398
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0859591960906982
+Cc1ccc(F)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1,-1.0363038778305054
+Cc1ccc(C(=O)CNC(=O)CC2CCSCC2)cc1,-1.5266834497451782
+CN1C(=O)CC[C@@H]1C(=O)Nc1cccc(-c2ccccc2)c1,-1.200561761856079
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.5165369510650635
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0699998140335083
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.013978362083435
+O=C(c1cc(F)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9629073739051819
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2cn[nH]c2c1,-0.8575671315193176
+Cc1ccc(C(=O)NC[C@H]2COc3ccc(F)cc3C2)o1,-1.1744192838668823
+CCc1ccc(OCCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.5358830690383911
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)nc1,-1.0312820672988892
+Cc1ccc(NC(=O)NCc2nonc2C)cn1,-1.3392163515090942
+O=C(CCc1cc(F)ccc1F)NCc1ccc(Cl)cc1,-1.1868313550949097
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8970958590507507
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0681724548339844
+CC(C)(C)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1639249324798584
+CC1CN(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.505760669708252
+O=C(c1ccccc1F)N1CCCC[C@@H]1Cc1ccc(Cl)cc1,-0.902301013469696
+Cc1cc(NC(=O)N2CCC(c3csc(C)n3)CC2)no1,-0.9316830635070801
+COc1ccc(C[NH+](C)C(=O)N2CCCC(C)(C)C2)cc1,-1.4776086807250977
+Clc1ccccc1,-2.04394268989563
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.944697380065918
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695152282714844
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.3116178512573242
+Cc1ccc(N(C)C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1596051454544067
+C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)C1,-0.6482303738594055
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3539186716079712
+COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0580946207046509
+Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9380393624305725
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1O,-1.2694793939590454
+CC1CN(Cc2ccc(Nc3ccccc3)cc2)CC(C)O1,-1.5163564682006836
+Cc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1,-1.466191053390503
+O=C(NC1(c2ccc(F)cc2)COC1)c1ccc(Cl)cc1,-1.2551641464233398
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1,-0.994261622428894
+Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F,-0.7888951897621155
+CCc1ccc(OCCOc2ccc(Br)cc2)cc1,-1.5922420024871826
+CC(C)c1ccc(CNc2ccc3c(c2)OCCCO3)cc1,-1.4113608598709106
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0063185691833496
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.989035427570343
+Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9782945513725281
+Fc1ccc(OC2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.2129650115966797
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.145747423171997
+O=C(NCCc1ccc(F)cc1)[C@@H]1CC2(CCCC2)CO1,-1.5490013360977173
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4642888307571411
+Nc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1,-1.0138624906539917
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2981724739074707
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0430281162261963
+Cc1ccc([C@H]2COCC[C@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.2120004892349243
+O=C(CC1CCCCC1)NC[C@H](O)Cc1cccc(I)c1,-1.4622914791107178
+Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.3976939618587494
+Cc1ccc(CNC(=O)OC(C)(C)C)cc1,-1.7571293115615845
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[O-])cc2)CC1,-1.2533611059188843
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2796765565872192
+Nc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1,-0.9959762692451477
+COc1ccc([C@@H]2C[C@H](O)C[NH+]2Cc2ccc(F)cc2)cc1,-1.4170514345169067
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0855839252471924
+Cc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.166946291923523
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2988537549972534
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0981022119522095
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2884702682495117
+C[C@H]1C[NH2+]CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.2806476354599
+Cc1ccc(I)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9217513203620911
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1505974531173706
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br,-0.8125531077384949
+CC(C)CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2F)CC1,-0.9859220385551453
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2o1,-0.9939103126525879
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)nc1,-0.8623781204223633
+O=C(c1ccc2c(c1)CCCCC2)N1CCC(c2ccc(F)cc2)CC1,-0.7558220624923706
+CC(C)(CC(=O)O)c1ccc(OCc2ccccc2)cc1,-1.584226369857788
+C[C@@H]1CCCCN(c2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1,-1.2557923793792725
+C[NH+]1CCC[C@@H](CNC(=O)c2cc3ccc(Br)cc3[nH]2)C1,-0.8883519172668457
+Cc1cc(F)ccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1,-1.1075406074523926
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0852736234664917
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1411676406860352
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2001667022705078
+O=C1Cc2cc(C(=O)NCC3CCOCC3)ccc2N1,-1.4196844100952148
+O=C(NC1CC2(CC2)C1)c1ccccc1,-1.76299250125885
+CC(C)(C)c1ccccc1NC(=O)c1cc(Br)ccc1Cl,-0.7028762698173523
+CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1C)c1ccccc1,-1.2829203605651855
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.0696262121200562
+CC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1,-1.5327328443527222
+Cc1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)c(Br)c1,-0.9952057600021362
+O=C1NC2CCN(CC2)C1=O,-1.6683765649795532
+CC(C)c1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]([NH3+])C2)cc1,-1.307248830795288
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8207976818084717
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[NH3+])CC2)cc1,-1.1893948316574097
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0348676443099976
+COc1ccc(NC(=O)N2CCOC3(CCC[NH2+]CC3)C2)cc1,-1.525183916091919
+O=C(c1ccccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0165584087371826
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.2904832363128662
+C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.4128313064575195
+Cc1cc(O)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.378256916999817
+CC1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCN1c1ccccc1,-0.9406190514564514
+O=CN1CCC(c2ccc(F)cc2)CC1,-1.6856052875518799
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8441689610481262
+Cc1cc(Cl)ccc1NC(=O)c1cc(N2CCCC2)ncc1Cl,-0.581755518913269
+CC(C(=O)NCc1ccccc1)N1CCS(=O)(=O)C1,-1.6020435094833374
+COc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-1.1603931188583374
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3385032415390015
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1,-0.9651668667793274
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9975680112838745
+COc1ccc(CCC(=O)NCC2CC[NH2+]CC2)cc1,-1.600443959236145
+CC1CCCCC1NC(=O)c1ccc(N2CCN(C)CC2)cc1,-1.0343934297561646
+O=C(c1cccc2cc(O)ccc12)N1CCC(c2ccc(F)cc2)CC1,-0.6381856203079224
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1,-0.9960424900054932
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8864887952804565
+O=C(NCc1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1,-1.5690150260925293
+C[C@H](Cc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.3254491090774536
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1cccc(F)c1,-1.2688510417938232
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1411449909210205
+Nc1ccc(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1453758478164673
+O=C(NCc1ccccc1)[C@@H]1CCC[NH+](CCCO)C1,-1.6193089485168457
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9093161821365356
+C[C@@H]1CN(C(=O)Nc2ccccc2O)CC[C@@H]1c1ccccc1,-1.1193151473999023
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)[nH]1,-1.1495951414108276
+Cc1cccc([C@H]2C[C@H](NC(=O)c3ccc(C)nc3)C2)c1,-1.1417174339294434
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9544939398765564
+COc1ccc(CNC(=O)c2cc(Cl)no2)cc1,-1.5895317792892456
+Cc1c[nH]c2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc12,-1.0858585834503174
+Nc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.3961957693099976
+CC(C)(CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1,-1.199074149131775
+Cn1nnnc1-c1ccc(NC(=O)CCc2ccccc2)cc1,-1.1566331386566162
+Cc1nc2cc(C(=O)NCc3cccc(O)c3)ccc2[nH]1,-1.0701457262039185
+O=C(NCc1cnns1)c1ccc(C2CC2)cc1,-1.335236668586731
+COc1ccc(C2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1,-1.0478628873825073
+Cc1nc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2[nH]1,-0.8820746541023254
+COc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1,-1.0046522617340088
+Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)OCO3)c1,-1.1599477529525757
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.1145490407943726
+CC(C)CCC(=O)NCc1cc(-c2ccc(Br)cc2)on1,-1.1322040557861328
+Cc1ccc(OCC(=O)N2CCC(c3ccccc3)CC2)cc1,-1.412402868270874
+O=C(c1cc(Cl)ccc1F)N1CCC(Cc2ccccc2)CC1,-0.9292110204696655
+C[NH+]1CCN(C(=O)c2ccc(NCC(F)(F)F)cc2)CC1,-1.0772068500518799
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9711912870407104
+C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1cccc(F)c1,-1.075595498085022
+O=C(Nc1ccccc1Cl)N1CCC[C@H](c2ccc(F)cc2)C1,-0.8836734890937805
+O=C(CSc1nc2ccccc2s1)Nc1ccc([S-])cc1,-0.9972288012504578
+c1ccc(-c2nc(CNCC3CCCO3)no2)cc1,-1.5994112491607666
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1,-1.314984917640686
+O=C(NCC(O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.3668419122695923
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1424208879470825
+Cc1cc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2101277112960815
+Cc1ccccc1[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)CCO1,-1.518853783607483
+O=C(N[C@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8950967192649841
+Cc1nc2ccc(C(=O)NCc3ccc([NH3+])cc3)cc2[nH]1,-1.035868525505066
+Cc1nc2ccc(C(=O)NCc3cccc(N)c3)cc2o1,-1.1080496311187744
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0426418781280518
+Cc1ccc(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2)o1,-1.1508737802505493
+Oc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.4516794681549072
+CC(c1ccc(O)cc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.1047629117965698
+O=C(NCc1ccccc1)C(=O)N1CCc2ccccc2C1,-1.345747947692871
+CCC1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1,-1.0010159015655518
+Nc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.4698842763900757
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1806055307388306
+O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(O)cc1,-0.9148030281066895
+CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.1114763021469116
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1002824306488037
+O=C1NCCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(F)c2)C1,-1.0145827531814575
+COc1cc(CNCc2ccccc2Br)ccc1C,-1.3284143209457397
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2512887716293335
+C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)cc1,-1.3862736225128174
+O=C(NC1CCCCC1)[C@H]1COCCN1c1ccc(F)cc1F,-0.9416245222091675
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)C[C@@H]2C)cc1,-0.9941960573196411
+O=C(NC[C@H]1CCCCO1)N[C@@H]1CCC[C@H](O)C1,-1.6778372526168823
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2cccc(F)c2)s1,-1.099440574645996
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4887266159057617
+Fc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.1387780904769897
+Nc1ccc(NCc2cccc(N3CCC(O)CC3)c2)cc1,-1.3438979387283325
+Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3427422046661377
+CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.209093451499939
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(O)c1,-1.0917326211929321
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3019574880599976
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0755059719085693
+C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)c(F)c3)cc2)C[C@H](C)O1,-0.7666152119636536
+Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2910211086273193
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.2107203006744385
+O=C([C@H]1CCOC2(CC[NH2+]CC2)C1)N1CCC(c2ccc(F)cc2)CC1,-1.0954439640045166
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.075019359588623
+Nc1ccccc1C(=O)NC1CCC(c2ccc(F)cc2)CC1,-0.9721071720123291
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.1616020202636719
+CN1CC[C@H](c2ccccc2)C1=O,-1.7683826684951782
+Cc1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)o1,-1.1051626205444336
+O=C1CCC[C@@H]([NH+]2CCN(C(=O)NC3CCCCC3)CC2)N1,-1.3508280515670776
+O=C(CCc1ccccc1)Nc1ccccc1N1CCOCC1,-1.5188463926315308
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.1814833879470825
+CC(C)(C)c1ccccc1C(=O)Nc1cc(Br)ccc1Cl,-0.7310503721237183
+O=C(N[C@@H]1C[C@@H]2CCCC[NH+]2C1)c1cc(-c2ccccc2)no1,-1.2403846979141235
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1,-1.1662427186965942
+CC(C)(O)CNC(=O)C1CCN(c2ccc(Br)cc2)CC1,-1.2516967058181763
+Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(F)c1,-1.0653852224349976
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)on1,-1.1125619411468506
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9585861563682556
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9584428668022156
+Cc1cccc(OCc2ccc(-c3ccccc3)c(C)c2)c1,-1.5166295766830444
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9081652760505676
+O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2)nn1,-1.1056932210922241
+CC1(O)CCC(CN2CCN(CC3CCCCC3)CC2)CC1,-1.532098412513733
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.1386929750442505
+Cn1cc(NC(=O)c2ccco2)c(-c2ccc(F)cc2)n1,-1.1313849687576294
+O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@H](c2ccccc2)C1,-1.1407496929168701
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382991075515747
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4618715047836304
+Cc1[nH]c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c[nH+]1,-1.0612127780914307
+O=C(Cc1cc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.2595372200012207
+O=C(CN1CCOCC1)Nc1ccc(N2CCCC2=O)cc1,-1.4839974641799927
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2815361022949219
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccn1,-0.8537384867668152
+Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.2406917810440063
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.0387245416641235
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cn1,-0.824832558631897
+Cc1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1,-1.104223370552063
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1F)c1ccccc1I,-0.7428796887397766
+Cc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.1652674674987793
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.0933890342712402
+Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)cc1,-1.5764199495315552
+CC(C)(CCc1ccccc1)C(=O)OCc1ccccc1,-1.674087405204773
+O=C(NC1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.1375858783721924
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0801807641983032
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.113001823425293
+O=C1Cc2cc(NC(=O)Nc3ccccc3)ccc2N1,-1.5277818441390991
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9662529826164246
+O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1C[NH+]1CCCC1,-0.9978566765785217
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0832164287567139
+C[C@H]1CCC[C@@H](C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2591887712478638
+Cc1ccc(NC(=O)NCc2cnccn2)cc1,-1.6756446361541748
+Cc1ccc(N2CCN(C(=O)NC3CCCCCC3)CC2)cc1,-1.2856805324554443
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1385873556137085
+Cc1nc(-c2ccc(NC(=O)c3cnc(C)s3)cc2)no1,-0.9263449907302856
+CC(C)([NH3+])C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1,-1.5405796766281128
+O=C(C(=O)N1CCSC2(CCC2)C1)N1CCN(c2ccccc2)CC1,-0.9806884527206421
+Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.3086130619049072
+CCOc1ccc(N)cc1,-1.9539155960083008
+CCc1ccccc1C(=O)N1CCN(c2ccc(N)cc2)CC1,-1.021497130393982
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8862372040748596
+CC1(C)CC(C(=O)NCCc2ccc(Br)c(F)c2)C1,-1.0340938568115234
+CCC(=O)N[C@]1(C)CCN(C(=O)c2ccc(Cl)cc2)C1,-1.2395786046981812
+CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)CCCF)C1,-1.3565521240234375
+COc1ccc(Cl)cc1C(=O)NCC(O)=Nc1ccccc1,-1.3782649040222168
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9093102216720581
+O=C(COc1ccc(Br)cc1)Nc1nc2ccccc2s1,-1.0674610137939453
+Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)ccc1Cl,-1.334763765335083
+CC(C)CCNC(=O)N[C@H]1CCOC2(CC[NH+](C)CC2)C1,-1.5648905038833618
+Cc1cccc(CNC(=O)c2cn3cc(Br)ccc3[nH+]2)c1,-1.0734111070632935
+Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1,-0.9852904081344604
+CC1(C)CCN(C(=O)Nc2ccc(C3CCOCC3)cc2)CC1,-1.3572152853012085
+Cc1ccc(CCCC(=O)NCc2ccc(Br)cc2)cc1,-1.4601366519927979
+Cc1ccc(C2CCN(C(=O)NCC(F)(F)F)CC2)cc1,-1.0181299448013306
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1524492502212524
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.3556361198425293
+CC(C)C(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1,-1.5257798433303833
+Cc1nc(-c2ccc(CNC(=O)CCC(C)C)cc2)no1,-1.3057421445846558
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(C)n1,-1.0122984647750854
+O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl,-1.0579612255096436
+O=C(c1cn2ccccc2[nH+]1)N1CCC[C@@H]1Cc1ccccc1,-1.2412927150726318
+Cc1ccc(OCC(=O)c2ccc(C(F)(F)F)cc2)cc1,-1.2857403755187988
+Cc1cc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)ccc1Cl,-0.8911190629005432
+CC1(C)CC(C[NH+]2CCN(C(=O)c3ccccc3)CC2)C1,-1.548976182937622
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1312090158462524
+O=C(O)c1cccc(CNCc2ccccc2)c1,-1.672730803489685
+CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3sccc3c2)CC1,-1.1182467937469482
+CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C1=O,-0.742091953754425
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Cl)c1,-0.9584535956382751
+O=C(NCc1cccc(F)c1)N1CC(C2CCOCC2)C1,-1.41227126121521
+Cc1cc(O)ccc1C(=O)NCc1ccc2c(c1)OCO2,-1.210633635520935
+CC(C)c1ccccc1NC(=O)CCc1ccc(Br)cc1,-1.2026185989379883
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)nn1C,-1.0283544063568115
+O=C(NCC1CCOCC1)Nc1ccc(F)cn1,-1.6152524948120117
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1098027229309082
+C[C@@H](CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1,-1.1025547981262207
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1986122131347656
+CN1CC[NH+](Cc2ccc(Oc3ccc(I)cn3)cc2)CC1,-1.1556261777877808
+C[NH+]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1137585639953613
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1662836074829102
+Clc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(Br)cc3)C2)cc1,-1.254698395729065
+CN1CCN(Cc2ccc(N)cc2)C(Cc2ccccc2)C1,-1.3728759288787842
+Nc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9879201054573059
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5578992366790771
+Cc1nocc1CNC(=O)N[C@@H]1CCC[C@@H](F)C1,-1.540854573249817
+Cc1ccc(-n2cc(NC(=O)c3cc(C)on3)nn2)cc1,-1.0973923206329346
+O=C(NC1CCN(c2cc(F)ccc2F)CC1)C1CCCCC1,-0.8507099747657776
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-0.9359625577926636
+O=C(NCc1ccc(Cl)c(F)c1)c1ccc2nc[nH]c2c1,-0.8147510886192322
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2387785911560059
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.0776439905166626
+O=C(Nc1cc(Cl)ccc1[S-])c1ccc(-c2ccccc2)cc1,-0.9470294713973999
+O=C1NCC[C@H]1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-1.0228251218795776
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9846174120903015
+C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc(N)nc2)CC1,-0.9319547414779663
+CN(C)c1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1,-1.6411850452423096
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2292348146438599
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1879353523254395
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.0584526062011719
+Cc1cc(Cl)c(NC(=O)c2ccccc2)cc1-c1ccccc1,-0.9751256704330444
+Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)s1,-1.0163078308105469
+O=C(NC1CCN(c2ncccc2Cl)CC1)c1ccc(Br)cc1,-0.7080335021018982
+O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.8735523819923401
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)N1CCCCCC1,-1.1083663702011108
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1,-1.2961525917053223
+Cc1cc(C(=O)NCC(=O)N2CCCCC2)ccc1Br,-1.1253193616867065
+Cc1ccc(F)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0912094116210938
+O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1,-0.9012233018875122
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.7210073471069336
+C[C@@H]1COCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1,-1.1623464822769165
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9659904837608337
+CC(C)C1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1,-1.0136996507644653
+Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)[C@@H](C)C2)cc1,-0.5762507915496826
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2046600580215454
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1189167499542236
+Nc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0748980045318604
+Cc1ccc2nc(CNC(=O)c3ccc(F)cn3)[nH]c2c1,-0.9320923686027527
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.258525013923645
+CC(C)C(C)(C)NC(=O)c1ccc(N2CCOCC2)cc1,-1.317369818687439
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1,-1.1095647811889648
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc[nH]2)cc1,-0.8698391914367676
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.185348391532898
+O=C(NCCCc1ccc(F)cc1)c1cc(Cl)ccc1O,-1.1567438840866089
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.176037311553955
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0134034156799316
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.090713381767273
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(O)cc1,-1.1529316902160645
+O=C(C1CCOCC1)N1CCN(Cc2ccc(F)cc2F)CC1,-0.9987571239471436
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.185232162475586
+O=C(Nc1ccc(Cl)cc1)N1CCC(O)(c2cccs2)C1,-1.3509693145751953
+Cc1ccc(CN2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.3975422382354736
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(Cl)ccc4n3)CC2)cc1,-0.47766292095184326
+Cc1nonc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1,-0.9769376516342163
+O=C(NCCc1ccc(F)c(F)c1)c1ccc(F)cc1I,-0.6861732006072998
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1707403659820557
+Cc1cc(C)c(CNC(=O)CCc2ccccc2)c(N)c1,-1.2437297105789185
+NCCCc1ccc(C(=O)OCc2ccccc2)cc1,-1.6219300031661987
+Cc1cc(F)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-1.0401691198349
+Nc1ccccc1Cc1ccc(NCC2CC2)cc1,-1.5734206438064575
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9813096523284912
+Cc1nc(-c2ccc(NC(=O)C(C)(C)C(C)(C)C)cc2)n[nH]1,-0.8133177161216736
+COc1ccc(N2CCN(C(=O)c3cn(C)nc3C)CC2)cc1,-0.858335018157959
+COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1,-1.483105182647705
+Cc1ccc(N=C(O)CN2CCN(C(=O)c3ccc(C)o3)CC2)cc1,-1.075696587562561
+Nc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1,-0.8432540893554688
+CCOc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1,-1.551964282989502
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)CC1,-0.29504087567329407
+Cc1cc(C[NH2+]Cc2ccc(F)cc2C)c2ccccc2n1,-0.8081778883934021
+Cc1cccc(CNC(=O)c2cc3cc(I)ccc3o2)c1,-1.1344542503356934
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.121473789215088
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2871242761611938
+Cc1cccc(N)c1-c1ccccc1,-1.7091783285140991
+Brc1ccc(NCc2ccc(N3CCOCC3)nc2)cc1Br,-0.9189943075180054
+C[NH+]1CCC(NC(=O)NCC2CCCCC2)CC1,-1.640108346939087
+Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(F)cc1)CC2,-1.1024041175842285
+O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ncoc2c1,-1.004037857055664
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0119773149490356
+O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.8891231417655945
+Cc1cc(F)ccc1C(=O)NC[C@@H]1CCC2(CCCC2)O1,-1.503218650817871
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.1457220315933228
+O=C(Cc1cccc(C(=O)O)c1)Nc1ccc(F)cc1,-1.5174723863601685
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1Cl,-1.0766236782073975
+COc1cc(Cl)ccc1N1CC[NH+](Cc2csc(C)n2)CC1,-0.8955239057540894
+Fc1cc(F)c(NCc2csc(N3CCCCC3)n2)c(F)c1,-0.6028047204017639
+Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.497513771057129
+O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCCC(F)(F)C1,-1.0960922241210938
+O=C(CC1CCCCC1)Nc1ccc(N2CCNC2=O)cc1,-1.3807399272918701
+C[C@H]1Cc2cc(C(=O)NC[C@H]3CCCC[NH+]3C)ccc2O1,-1.1434242725372314
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@@H]1O,-0.9878363013267517
+C[C@@H](CCC(C)(C)C)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1,-1.126267910003662
+Cc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccccc2Cl)cc1,-1.0030913352966309
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)cc1,-1.1976144313812256
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1594326496124268
+O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5159889459609985
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.4702887535095215
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)o1,-1.3175067901611328
+O=C([C@@H]1CCC2(CCCCCC2)O1)N1CCOC[C@H]1c1ccc(F)cc1,-1.2621517181396484
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1,-1.2138346433639526
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.035407543182373
+C[C@H](CC(=O)NC[C@@H]1CCCOC1)Cc1cccc(Br)c1,-1.4705898761749268
+Cc1ccc(OC2CN(C(=O)c3ccc(N)cc3)C2)cc1,-1.375697374343872
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700067281723022
+Cc1ccc(CNc2ccc(N3CCCCC3)c(N)c2)cc1,-1.2152924537658691
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9307748675346375
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.905622661113739
+CN1CCN(C(=O)c2ccccc2Cl)CC1,-1.3906368017196655
+Cc1ccc(NC(=O)C2(c3ccc([NH-])cc3)CCC2)cc1,-1.4255567789077759
+O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1c1ccccc1,-1.3077044486999512
+O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2F)CC1,-0.980057954788208
+CC(=O)NCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1,-0.8958233594894409
+CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1=O,-1.2259597778320312
+c1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.3686492443084717
+C[C@@H]1CCc2nnc(CNC(=O)c3ccc(F)cc3)n2C1,-0.7375805377960205
+Cc1ccccc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.39375901222229
+Nc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3914116621017456
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9885174036026001
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0705472230911255
+CC1(C)CC(NC(=O)c2ccc(C(C)(C)C)cc2)C1,-1.3906445503234863
+C[NH+]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1,-1.1233419179916382
+Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)no1,-1.1056948900222778
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0252611637115479
+O=C(NCc1ccccc1O)N[C@H]1CC12CCC2,-1.6216654777526855
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.1495665311813354
+COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1,-1.1682019233703613
+c1ccc(C[NH+]2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.251393437385559
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-1.052951693534851
+Cc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H]3C)C2)cc1,-1.2751544713974
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1432037353515625
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCCO2,-1.2794411182403564
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2740429639816284
+Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2[nH]1,-0.9584314227104187
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0632998943328857
+c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC([NH+]2CCOCC2)CC1,-1.0745491981506348
+Cc1nc2c(s1)CN(C(=O)NCc1cccc(Cl)c1)CC2,-0.657062828540802
+OC(COc1ccccc1-c1nnon1)=NCc1ccccc1,-1.4641386270523071
+CC(C)(C[NH3+])CNC(=O)c1cnn(-c2ccc(Br)cc2)c1,-1.077601432800293
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.1762276887893677
+NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1,-0.875796914100647
+Cc1ccc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1,-0.798514723777771
+CCCCCCCCCCCCCCOc1ccc(OCCCCCCCC)cc1,-1.5317914485931396
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9634613394737244
+Cc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1,-0.9105789661407471
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531856298446655
+O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.2338473796844482
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)s1,-1.064846396446228
+O=C(CNc1cccc(F)c1)N1CCN(c2ccccc2)CC1,-1.281060814857483
+C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C,-1.2820888757705688
+CC(O)=NC1CCC(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1,-0.7909982204437256
+Cc1ccc(CNC(=O)C[C@H](O)c2ccc(Br)cc2)cc1,-1.3763941526412964
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2s1,-1.0176007747650146
+Cc1ccc([C@@H]2CCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.055500864982605
+O=C(N[C@@H]1CC12CCC2)c1cc(-c2ccc(F)cc2)no1,-1.1493531465530396
+Cc1ccc(CNC2CCC(c3ccc(C)cc3)CC2)cc1,-1.279573917388916
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1354869604110718
+C[C@@H]1CN(C(=O)NCCc2ccc(Br)c(Cl)c2)CCCO1,-1.049813151359558
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.415502905845642
+Nc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(F)c1,-0.9525964856147766
+CC(C)c1ccc(CNCc2ccccc2Br)cc1,-1.3145735263824463
+Cc1cccc(-c2ccccc2)c1NCc1ccc(Br)cc1,-1.0676233768463135
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431849002838135
+O=C(Cc1ccc(O)cc1)NC1(c2ccccc2)CNC1,-1.5534656047821045
+Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)no1,-1.1189008951187134
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1491931676864624
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,-1.230880856513977
+Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(N)n1,-1.093719720840454
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8404988646507263
+Cn1ccc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0584229230880737
+CS(=O)(=O)CC#Cc1ccc(NC(=O)c2ccc(N)cc2)cc1,-1.4263867139816284
+C[C@@](O)(CNC(=O)c1ccc(N)cc1)c1ccc(F)cc1,-1.525949239730835
+Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1,-1.221516489982605
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.6953200101852417
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.1032967567443848
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.072912335395813
+O=C(c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1,-1.2944667339324951
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0389825105667114
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-1.065153956413269
+O=C(Nc1ccccc1)N1CCC(C(O)=Nc2ccc(F)nc2)CC1,-1.1152693033218384
+Cc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)CCO2)cc1,-1.507071614265442
+CCOc1ccc(NCCC(O)=Nc2ccc(Cl)cc2F)cc1,-1.1022838354110718
+Cc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.2810777425765991
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9478915333747864
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0082690715789795
+O=C(CCc1ccc(F)cc1)NCCc1ccc(Br)cc1,-1.4207783937454224
+Nc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9663562178611755
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.026752233505249
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.05315363407135
+COCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.2428691387176514
+O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1,-1.404581069946289
+Cc1ccccc1N1CCN(C(=O)COc2ccccc2)CC1,-1.415544867515564
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1413298845291138
+N#Cc1cc(O)ccc1CN1CCN(CC2CCCCC2)CC1,-1.3384159803390503
+O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1,-1.6331560611724854
+O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(F)c(O)c2)C1,-1.1399489641189575
+O=C(Cc1ccc(Cl)cc1)NCc1cc2ccccc2[nH]1,-1.2778764963150024
+C[NH+]1C[C@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(F)cc2F)C1,-0.9892404675483704
+O=C(Nc1ccc(N2CC[C@@H](O)C2=O)cc1)c1ccccc1,-1.316293478012085
+C[NH+]1CC[C@H](C(=O)Nc2ccnn2-c2cccc(Br)c2)C1,-0.9596331715583801
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9952207207679749
+C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.955756425857544
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1911399364471436
+CS(=O)(=O)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.1348813772201538
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0702265501022339
+O=C(Nc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1,-1.1559535264968872
+O=C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1,-1.313106656074524
+Cc1cccc(N2CCC(NC(=O)c3cccnc3C)CC2)c1,-1.074851393699646
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@@H]1CCCCO1,-0.9567288756370544
+CN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0706467628479004
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2noc(C)n2)cc1,-1.0702154636383057
+NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(O)cc2)cc1,-1.4893559217453003
+O=C(COc1ccc(F)cc1)Nc1ccc2n[nH]nc2c1,-1.1536976099014282
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(O)ccc4c3)CC2)cc1,-0.84458988904953
+CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.5989855527877808
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0350886583328247
+COc1ccc(N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1,-1.0560686588287354
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5119386911392212
+COc1ccccc1NC(=O)C[NH+]1CC[C@@H]([C@H]2CC[NH+](C)C2)C1,-1.2761393785476685
+C[C@H]1C[NH2+]CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3547427654266357
+C[NH+]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc(Br)cc2)C1,-0.9874544739723206
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.209757924079895
+O=C(CCS(=O)(=O)[O-])N1CCN(C(=O)c2cccc(Br)c2)CC1,-1.260693073272705
+Cc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1,-0.9931351542472839
+C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(O)c1,-1.2980707883834839
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2683836221694946
+CC(C)CC(=O)NC1CCN(C(=O)c2ccccc2O)CC1,-1.22102952003479
+O=C(NCc1cccc(F)c1)N1CCOC2(CCCC2)C1,-1.5499310493469238
+Brc1ccccc1OCc1ccccc1,-1.668848991394043
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.1186769008636475
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0383108854293823
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2352877855300903
+Cc1cccc(-c2ccc(NC(=O)c3ccccc3N)nc2)c1,-1.1274762153625488
+CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC(=O)C2)cc1,-1.2729114294052124
+[NH3+]c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)cc1,-1.0155106782913208
+O=C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.398253083229065
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2812715768814087
+COc1ccc(CNc2ccc(OC)c(Br)c2)cc1,-1.5223565101623535
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.200940489768982
+O=C(C[S+]([O-])Cc1ccccc1)NCCCc1ccccc1,-1.592922329902649
+Cc1nc([O-])cc(-c2ccc(OCc3ccccc3)cc2)n1,-1.1287869215011597
+Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CSc4ccccc43)CC2)cc1,-0.8498451709747314
+O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2)CC1,-0.988131046295166
+Cc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,-0.9150353074073792
+N#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1,-1.5106168985366821
+O=C(NC[C@@H]1CC12CCOCC2)c1ccc2c(c1)CCC2,-1.3260902166366577
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2ncc[nH]2)cc1,-1.030308485031128
+Cc1ccc(CCN2CCN(C(=O)c3ccncc3)CC2)cc1,-1.4806848764419556
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.9389503002166748
+CC(C)C(=O)NCc1ccc(N2CC[S+]([O-])CC2)cc1,-1.3156139850616455
+[NH3+]c1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0322312116622925
+COc1ccc(F)cc1C(=O)N1CCC([NH+]2CCOCC2)CC1,-1.0593140125274658
+O=C(Nc1cc(N2CCOCC2)c(Br)cc1F)c1ccccc1,-0.8811495900154114
+Cc1ccc2ccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)nc2c1,-0.5223534107208252
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1N,-1.155260443687439
+CN1CCC[NH+](CC(=O)NCc2ccc(F)c(Br)c2)CC1,-1.0825179815292358
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758625626564026
+O=C(NC1CCN(c2ccccc2O)CC1)c1ccc(F)cc1,-1.078323483467102
+CC(C)(O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.5009926557540894
+CC[C@H](C)C(=O)NCc1ccccc1N1CC[NH+](C)CC1,-1.3876063823699951
+O=C(CCN=C(O)OC1CCCCC1)NCc1ccccc1,-1.6472686529159546
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2363640069961548
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.987420916557312
+O=C(COc1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1,-1.5991443395614624
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.1248507499694824
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9345055818557739
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.10763680934906
+CC1(O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5505051612854004
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1889504194259644
+C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)c1cccc(F)c1,-1.2564619779586792
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954778909683228
+O=C(Cc1ccccc1)N1CCC[C@H](Cc2ccc(Cl)cc2)C1,-1.241389274597168
+CC(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.4264335632324219
+Cc1nc(C[NH+]2CCN(c3ccc(C(C)C)cc3)CC2)no1,-1.0186166763305664
+C[S+](C)c1cc(N)ccc1C(=O)NCC[NH+]1CCOCC1,-1.2133010625839233
+O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)cc1,-0.9793354272842407
+Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)ccc1F,-1.0936716794967651
+O=C(NCC1CCCCC1)Nc1ccc(I)cn1,-1.4257067441940308
+C[C@@H]1CCC[NH+](CCNC(=O)c2ccc3c(c2)CCO3)C1,-1.3331735134124756
+CC(C)C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.0126107931137085
+Cc1c(F)cccc1C(=O)NC[C@H]1CCS(=O)(=O)C1,-1.4412800073623657
+Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.0470856428146362
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1,-1.362879753112793
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(C2CCOCC2)cc1,-1.1132370233535767
+O=C(NCCC(O)=NCc1ccccc1)c1cccc(F)c1,-1.5132261514663696
+Cc1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c1,-0.9032189846038818
+Clc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0789947509765625
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9961060881614685
+[NH3+]c1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1029210090637207
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0137699842453003
+Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.1874243021011353
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874230027198792
+Cc1nc2ccc(C(=O)NCc3cccc(Br)c3)cc2[nH]1,-0.8452922701835632
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9860018491744995
+O=C(N[C@@H]1CCCN(c2ccc(Br)cc2)CC1)c1ccccc1,-1.1925216913223267
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.190769910812378
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248907804489136
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.8890175223350525
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1948648691177368
+OC(CNCc1ccc(Br)cc1)=NCc1ccc(F)cc1,-1.3569597005844116
+O=C([O-])c1ccc(C(=O)N2CCOCC2)cc1,-1.652186393737793
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1949834823608398
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885519504547119
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2502554655075073
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0356038808822632
+Cc1cc(NCc2ccc(F)cc2)nc(-c2ccccc2)n1,-1.1441622972488403
+O=C(NC[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1,-0.825763463973999
+O=C(Nc1ccc(N2CCOCC2)cc1F)c1ccc(Cl)cc1,-0.9685768485069275
+CN1CCN(c2ccc(NCC(O)=Nc3ccc(Cl)cc3Cl)cc2)CC1,-0.6294182538986206
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1748802661895752
+C[NH+]1CCC[C@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5585033893585205
+Clc1ccc(C(Nc2ccc(Br)cc2)c2ccccc2)cc1,-1.0912036895751953
+CC(C)(C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.7889611721038818
+Cc1ccc(CNC(=O)c2ccn3nc(C)nc3c2)cc1,-0.988593339920044
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2069764137268066
+O=C1NCCN(C(=O)c2ccccc2)[C@H]1Oc1ccccc1,-1.52339768409729
+O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1,-1.0669194459915161
+Cc1ccc(O)cc1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-1.0937750339508057
+Cc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1F,-1.1318691968917847
+CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1,-1.2721844911575317
+C[C@H]1C[NH+](C)CCN1C(=O)NC1CCN(c2ccccc2)CC1,-1.1011804342269897
+O=C(c1ccc(F)cc1)N1CCNCC1,-1.673693060874939
+C[C@@H]1CN(C(=O)NCc2nc3ccccc3o2)C[C@@H](C)O1,-1.2540086507797241
+COc1ccc(C(=O)NCCc2ccccc2C)cc1,-1.5556355714797974
+O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0547605752944946
+O=C(NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1,-1.3678447008132935
+O=C(Nc1ccc(N2C(=O)CC2=O)cc1)C1CCCCC1,-1.237573504447937
+O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(Cl)cc1,-0.7036325931549072
+COC(=O)Cc1ccc(OCCc2ccccc2)cc1,-1.6525921821594238
+O=C(Nc1ccccc1)c1ccccc1,-1.8018670082092285
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080672979354858
+CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.3172188997268677
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464792251586914
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.010084629058838
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111625909805298
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1749038696289062
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(N)c1,-1.163633108139038
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)s1,-1.0422255992889404
+CCc1ccc(CNC(=O)c2cc(Br)ns2)cc1,-1.1731539964675903
+CN1CCC[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)C1,-0.9790971279144287
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.5285800695419312
+Cc1ccc([C@@H]([NH3+])CC(=O)NCc2ccc(Br)cc2)cc1,-1.2804495096206665
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9537813663482666
+CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1,-1.4457520246505737
+CC(C)(O)CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.4443254470825195
+CC[NH+]1CCC(NC(=O)Nc2nnc(Br)s2)CC1,-0.9829908013343811
+O=C(Nc1nccs1)C(=O)N1CCC[C@H](c2ccccc2)C1,-1.2242666482925415
+N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)cs2)cc1,-1.4424433708190918
+Cc1ccc2ccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2c1,-0.7318955659866333
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1404352188110352
+CC(C)(O)CC(=O)N1CCC(OCC2CCCCC2)CC1,-1.5838977098464966
+O=C(c1ccc2nc[nH]c2c1)N1CCN(CC2CCCO2)CC1,-1.0830646753311157
+CC(C)(C)C(=O)NC[C@@H](O)COc1cccc(Br)c1,-1.5012012720108032
+O=C(NC1CCCCC1)[C@@H]1CCN(c2ccccc2)C(=O)C1,-1.3064347505569458
+NC(=O)c1cccc2ccccc12,-1.7441082000732422
+O=C(Nc1ccccc1Br)N1CCCC[C@H]1c1ccc(F)cc1,-0.9618793725967407
+O=C(Cc1ccc(Cl)cc1)NC[C@@H]1C[C@@H]1C1CCOCC1,-1.3405649662017822
+Cc1ccc(CC2CCN(C(=O)Cc3ccccc3)CC2)cn1,-1.318805456161499
+c1ccc(Cc2nc(-c3cccc(-c4ccccc4)c3)no2)cc1,-1.2533262968063354
+Nc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1,-1.2694371938705444
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.465173602104187
+Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.374935507774353
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.481330156326294
+C[NH+]1CCC([NH+](C)Cc2nc(-c3ccc(F)cc3)no2)CC1,-1.0541235208511353
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1325931549072266
+O=C(C1CCCCC1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.9205127954483032
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1202987432479858
+C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.5057523250579834
+O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1C1CCOCC1,-1.3217952251434326
+Oc1cc(OCc2cccc(Cl)c2)nc(-c2ccccc2)n1,-1.099722981452942
+C[NH+]1CCC(C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1,-1.0580490827560425
+Fc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Br,-1.107724666595459
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6738107204437256
+N#Cc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1,-1.5570988655090332
+CC(C)CCC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.4138652086257935
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.0396366119384766
+COc1ccc(CC(=O)N(C)CC2CCOCC2)cc1,-1.5917314291000366
+O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2s1,-1.0281577110290527
+CC(C)C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1,-1.3491367101669312
+CC(C)C1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0461788177490234
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0977433919906616
+Cc1nocc1CNC(=O)Nc1ccc(N)cc1,-1.5680701732635498
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9939743280410767
+Cn1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)n1,-1.0155516862869263
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1261383295059204
+CC1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1,-1.457554817199707
+O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(F)cc1F,-1.0368516445159912
+Cc1nc2ccc(CNC(=O)c3ccc(N)cc3)cc2[nH]1,-0.9702292680740356
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(N2CCCC2)cc1,-1.0844472646713257
+Cc1ccc(OCc2nc(-c3ccc(O)cc3)no2)c(C)c1,-1.2542757987976074
+O=C(c1ccnn1CCCO)N1CC[C@H](c2ccc(Cl)cc2)C1,-0.9492867588996887
+C[C@@H]1CC[NH+](CC(=O)NCc2ccc(F)c(F)c2)C1,-1.1924868822097778
+O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@@H]1C1CCOCC1,-1.085669755935669
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.171563744544983
+CN1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2)C1=O,-1.1112732887268066
+Cc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1,-0.5332857966423035
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c1,-1.1166439056396484
+O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(Cl)cc1,-0.9715903401374817
+Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1,-1.1480498313903809
+CCN1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9859923124313354
+Cc1ccc(NC(=O)N2CCC[NH+](C3CCCCC3)CC2)cc1,-1.3529447317123413
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1F,-0.9512354731559753
+O=C(NCc1ccccc1)Oc1ccc(Br)cc1,-1.5901488065719604
+O=C(N[C@H]1CCCC[C@@H]1F)c1ccc(-c2ccc(F)cc2)nc1,-0.8678029179573059
+O=C(NC[C@@H]1CCC[C@@H](O)C1)NC1CCOCC1,-1.673307180404663
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.216893196105957
+CN1CCC(COc2ccc(-c3ccc(F)cc3)cc2)CC1,-1.454609751701355
+O=C(NCc1ccc(F)c(Cl)c1)N1CCn2cncc2C1,-0.8291738033294678
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0834990739822388
+[NH3+]CC1CCN(C(=O)C2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.8670136332511902
+Cc1nnc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2)s1,-0.704414427280426
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(O)ccc1O,-1.1777318716049194
+Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.3746076822280884
+CCCCCCCCCC1CCN(C(=O)Nc2ccc(O)cc2)CC1,-1.5035067796707153
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1csnc1-c1ccccc1,-0.9189693331718445
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.006667971611023
+Cc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)s1,-0.8066341876983643
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3239730596542358
+O=C(Nc1ccccc1)C(Cc1ccccc1)c1ccccc1,-1.533111810684204
+CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2604707479476929
+Fc1ccc(CNC2CCN(c3ccccc3)CC2)cc1Cl,-1.0229648351669312
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1cccc(Cl)c1,-1.1908429861068726
+Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)[nH]1,-0.8789365887641907
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4737406969070435
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517460823059082
+Fc1ccc(OCc2ccccc2)cc1,-1.8215014934539795
+CC1CN(Cc2ccccc2)C(=O)N(c2ccc(F)cc2)C1=O,-1.0558412075042725
+[NH+]c1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cn1,-1.2871898412704468
+Cc1ccccc1N1CCC[C@H](NC(=O)CCc2cccs2)C1,-1.2602649927139282
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1444963216781616
+Nc1cc(F)ccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1,-0.8856220841407776
+O=C(CCc1ccccc1)Nc1cccc(-c2ccccc2)c1,-1.5247719287872314
+O=C(NC1CC(F)(F)C1)c1ccc(-c2ccccc2)cc1,-1.2729885578155518
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.0723694562911987
+CC(C)CC(=O)N1CCC(O)(COc2ccccc2)CC1,-1.597479224205017
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1,-1.158019781112671
+O=C(N[C@H]1CC[NH2+]C[C@H]1O)c1ccc(-c2cccc(Cl)c2)cc1,-1.0970425605773926
+O=C(C1=CCc2ccccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.8243889808654785
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.338847041130066
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ccc2nocc2c1,-1.2197014093399048
+C[NH+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1,-1.1421949863433838
+COc1ccc(N=C(O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,-1.2609111070632935
+Cc1ccc(CC2CCCN(Cc3ccc(Cl)cc3)C2)cc1,-1.2581828832626343
+CCOc1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1,-1.5578770637512207
+CN1CC[NH+](CC2CCCCC2)[C@H](Cc2ccc(F)cc2)C1,-1.3345550298690796
+Cc1ccc(CC(O)CNC(=O)c2ccc(C)cc2)cc1,-1.52715265750885
+C[C@H]1CCCCN1C(=O)N[C@H]1CCC[NH+](C2CC[NH+](C)CC2)C1,-0.9999281764030457
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.1029932498931885
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,-1.23610258102417
+CC(NC(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)(C)C,-1.2948429584503174
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1,-0.8020581603050232
+CC1CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1,-1.5070408582687378
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2583189010620117
+O=C(N[C@@H]1CC[C@@H](F)C1)c1ccnn1-c1ccc(Cl)cc1,-0.9119963645935059
+Nc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1257470846176147
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.042076587677002
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6732650995254517
+O=C(COc1ccccc1)OCc1ccccc1,-1.7576889991760254
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.384995937347412
+Fc1ccc(-c2noc(CCOc3ccc(Cl)cc3)n2)cc1,-1.2467693090438843
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.070014238357544
+C[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1,-1.1254255771636963
+COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1C,-1.2186778783798218
+CN1CCN(C2CCN(C(=O)NC3CCCCC3)CC2)C1=O,-1.0482509136199951
+CC1CC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.1966842412948608
+O=C(c1cccc(O)c1)N1CCN(Cc2ccc(F)cc2)CC1,-1.3081517219543457
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589172005653381
+Cc1ccc(CNCc2ccc(Cl)cc2)cc1N=[N+]=[N-],-1.2297160625457764
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3669377565383911
+C[NH+]1CC[C@@H](NC(=O)NCCc2ccccc2)C1,-1.6796690225601196
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2044035196304321
+O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1,-1.5135843753814697
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9847395420074463
+Cc1noc(-c2ccc(NC(=O)c3ccn(C)n3)cc2)n1,-1.073677897453308
+[NH3+][C@H](CC(=O)NCc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1135119199752808
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.093047022819519
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1766411066055298
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1981767416000366
+Cc1ccc(N2CCN(C(=O)c3cccc4nc(C)ccc34)CC2)cc1,-0.6551203727722168
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1c1ccccc1,-0.954367458820343
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5222742557525635
+O=C(CCc1ccccc1)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.5414655208587646
+Fc1cc(CN2CC[NH+](C[C@@H]3CCCOC3)CC2)ccc1Cl,-1.162947654724121
+Cc1cc(C(=O)Nc2cn(C)nc2C2CCCCC2)no1,-1.0350993871688843
+O=C(Cc1ccc(O)cc1)NCc1c[nH]c2ccccc12,-1.4068771600723267
+COc1ccc(NC(=O)CCSc2ccccc2)cc1,-1.5891249179840088
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.1108121871948242
+CC(C)c1ccc(NC(=O)N2CC3(CCOCC3)C2)cc1,-1.5160353183746338
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2894904613494873
+Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1,-1.057091474533081
+Fc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4239457845687866
+Cc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1Cl,-1.3633586168289185
+Cc1ccccc1NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C,-0.7013058066368103
+O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)cc1,-0.9568545818328857
+c1ccc(CN2CCCC(c3nnc(-c4ccccc4)o3)C2)cc1,-1.2678072452545166
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1573772430419922
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617130160331726
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.9061757922172546
+C[C@@H](COc1ccc(Cl)cc1F)C(=O)NCCC(C)(C)O,-1.1921298503875732
+CC(C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1,-1.5237407684326172
+CCC(O)=Nc1cccc(NC(=O)c2ccc(OC)cc2)c1,-1.4288195371627808
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.435729742050171
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3730320930480957
+N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1,-1.087218165397644
+O=C(CCCc1ccc(F)cc1)NCc1ccc(Br)cc1,-1.4190088510513306
+O=C(NCc1ccccc1)N1CC[C@@H](O)C2(CCCC2)C1,-1.548730492591858
+O=C(Nc1ccnn1-c1ccccc1)[C@@H]1C[NH+]2CCC[C@H]1CC2,-1.037853479385376
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4825677871704102
+Cc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)n[nH]2)o1,-1.1688140630722046
+COc1cccc(CNC(=O)[C@H]2CC[NH+](C)C2)c1,-1.6228785514831543
+COc1ccc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)cc1,-1.3631500005722046
+N=C(O)CN1CCN(C(=O)Oc2ccc(Br)cc2)CC1,-1.4335707426071167
+O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1,-0.9480783939361572
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.4655745029449463
+Nc1c(F)cccc1C(=O)NCc1cc(F)c(F)cc1F,-0.4867410659790039
+Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1,-1.4763545989990234
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3008449077606201
+C[C@@H]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1,-1.6356751918792725
+O=C(N[C@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.270809531211853
+O=C(COc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1,-1.2797273397445679
+Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.4326614141464233
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.2893779277801514
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8195396661758423
+Cc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2108546495437622
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312148332595825
+C[C@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.5002861022949219
+C[C@@H]1CCCCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.4989087581634521
+O=C(NCC1CC1)c1ccc(-n2cccn2)cc1,-1.603952407836914
+Cc1ccc(CNC(=O)C[C@H](C)c2cccc(Br)c2)cc1,-1.4133981466293335
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0343384742736816
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2878109216690063
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)cc1,-1.2860395908355713
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.348036527633667
+CCc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1434009075164795
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8605591654777527
+O=C(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(Cl)cc1,-0.7063396573066711
+O=C(NCC(F)(F)F)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.1299972534179688
+COc1ccc(CN2CCN(C(=O)C(C)(F)F)CC2)cc1,-1.2406693696975708
+O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.414706289768219
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885486721992493
+C[C@@H]1C[C@H](NC(=O)c2ccccc2F)CCN1c1ccccc1,-1.1304599046707153
+C[C@H]1C[NH2+]CCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1,-0.8812678456306458
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9622810482978821
+Cc1ccc(CNC(=O)C[NH+]2CCc3ccccc3C2)s1,-1.2455835342407227
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5884796380996704
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2197643518447876
+CCN1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.0649698972702026
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(C)nc2)cc1,-1.41745126247406
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9783744215965271
+Nc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.1500072479248047
+Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1,-1.4703925848007202
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.1252137422561646
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)nc1,-1.282802700996399
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1,-1.1056569814682007
+O=C(NCc1ccc(Br)cc1)N[C@H]1CCC[C@H]1O,-1.519904613494873
+O=C(c1ncccc1I)N1CC[NH+](Cc2cccc(F)c2)CC1,-0.8108125925064087
+O=C(N[C@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(F)cc1F,-0.8731511831283569
+NC(=O)C(=O)Nc1ccc(Cc2ccc(F)cc2)cc1,-1.4415050745010376
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1,-1.2880913019180298
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.070349931716919
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4790623188018799
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(O)cc1,-1.4067403078079224
+Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cc2)CC1,-1.0996599197387695
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Cl)cc1,-1.2943543195724487
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1,-1.1904964447021484
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8300093412399292
+COC1CCC(C(=O)N2CCN(c3cccc(F)c3)CC2)CC1,-1.0418956279754639
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1,-0.9239688515663147
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172535538673401
+C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1,-1.2348064184188843
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4636974334716797
+Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1,-0.866592288017273
+CC(=O)Nc1ccc(C[NH+]2CC(C3CCOCC3)C2)cc1,-1.5390413999557495
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0165270566940308
+O=C([O-])N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1,-1.1755640506744385
+C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.4241224527359009
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1830871105194092
+O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1250643730163574
+O=C(CCc1ccccn1)Nc1cccc(N2CCOCC2)c1,-1.4859577417373657
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2201323509216309
+O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H](O)C1,-1.1412484645843506
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8244775533676147
+c1ccc(CCNCC2CC2c2ccccc2)cc1,-1.645434856414795
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0294305086135864
+O=C(c1cc(F)ccc1F)N1CCC[C@H](Cc2ccccc2)C1,-1.0028085708618164
+CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1,-0.8607502579689026
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4608387351036072
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0774781703948975
+Cc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.1157170534133911
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706650018692017
+CC1(C)CN(C(=O)NC[C@H](O)c2cccc(Br)c2)CCO1,-1.4436930418014526
+COC[C@H](O)c1ccc(C(=O)N2CCC3(CCC3)C2)cc1,-1.5196114778518677
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9975264072418213
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.9703986644744873
+Nc1cccc(-c2ccc(OCc3ccc(F)cc3)cc2)c1,-1.3000882863998413
+O=C(C[NH+]1CCCC[C@H]1C(=O)[O-])Nc1ccc(F)cc1,-1.364808440208435
+Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9791203141212463
+Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(F)c1,-0.8880346417427063
+O=C(NCCc1ccccc1)N1CCOCC2(CCOCC2)C1,-1.584547519683838
+Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0431602001190186
+Cn1nc(C(=O)NCc2ccc(O)cc2)c2ccccc21,-1.0793342590332031
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8319670557975769
+CC[C@H](C)C(=O)NCc1ccc(Br)cc1,-1.5912855863571167
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.577976942062378
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3126168251037598
+O=C(Nc1n[nH]c2c1CCCC2)c1ccn(C2CCCCC2)n1,-0.7189351320266724
+O=C(NCCC1CCOCC1)N1CCC(C2CCOCC2)CC1,-1.4882510900497437
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7339414954185486
+C[NH+]1CCCC2(CN(C(=O)NCCc3ccccc3)C2)C1,-1.5631529092788696
+O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9600857496261597
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.8723004460334778
+O=C(OCc1ccccc1)N1CCC(O)C2(CCCC2)C1,-1.5656654834747314
+NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1,-1.093335509300232
+CC(C)(CC#N)C(=O)N1CCN(Cc2ccc(F)c(Br)c2)CC1,-0.6732211709022522
+Cc1ccc(CN2CC(C(=O)N3CCOC(C)C3)C2)cc1,-1.4134955406188965
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0398861169815063
+[NH3+]C1CCC(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC1,-1.4878586530685425
+O=C(c1ccccc1)N1CCN(Cc2ccc(O)cc2F)CC1,-1.1423499584197998
+CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.310023307800293
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2s1,-0.9775891304016113
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4924970865249634
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(O)cc1F,-1.005366563796997
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2050799131393433
+C[C@@H]1CO[C@@H](C)CN1c1ccccc1NC(=O)c1ccccc1,-1.2370940446853638
+O=C(Nc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1,-0.792203962802887
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ncccc1F,-0.8565191030502319
+CC1(C)COc2ccccc21,-1.8729348182678223
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5801177024841309
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9575845003128052
+Cc1ncccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9712485074996948
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0102169513702393
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.139963150024414
+Cc1ccccc1C(=O)NC1CCN(c2cccc(Cl)c2)CC1,-0.9645590782165527
+CC1(C)CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3)C2)C1,-1.418369174003601
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.3285328149795532
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.9710580706596375
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0129122734069824
+[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9462020397186279
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1243735551834106
+O=C(NCC1CCOCC1)Nc1ccc(I)cn1,-1.4854602813720703
+Clc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccc(Br)c3)C2)cc1,-1.1225110292434692
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0673974752426147
+Fc1cccc(CCNc2nnc(-c3ccc(Cl)cc3)s2)c1,-0.782942533493042
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0734142065048218
+CC1(C)CC(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1,-1.3829809427261353
+O=C(NCC1CCCC=CCCCCCCCCC1)c1ccccc1,-1.5371851921081543
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305816173553467
+O=C(NCCn1ccnc1)Nc1cccc(Br)c1,-1.5604485273361206
+CCc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)cc1,-1.1541608572006226
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,-0.9787745475769043
+Cc1cc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)no1,-1.015572190284729
+Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,-1.2916362285614014
+Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cs1,-0.7489839792251587
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Br)c1,-1.129401683807373
+c1cnn(-c2ccc(CNCC3CCCO3)cc2)c1,-1.6248881816864014
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(C)c1,-0.9593783020973206
+Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC1,-1.0722392797470093
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.2500932216644287
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9593650698661804
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.065859079360962
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)nc1,-0.8515509963035583
+C[C@@H]1C[NH+](Cc2nc(-c3ccc(F)c(Cl)c3)no2)CC(C)(C)O1,-0.7253849506378174
+O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1,-1.5681756734848022
+Clc1ccc(-c2ccccc2)c(NCc2ccc(I)cc2)c1,-0.9687566757202148
+O=C(NCc1cccc(Cl)c1)N[C@@H]1CCCCO1,-1.620241403579712
+O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC(F)(F)C1,-1.1695871353149414
+Cc1ccccc1-c1ccc(NC(=O)Cc2ccccc2)cc1,-1.3998781442642212
+CC(C)[NH+]1CCC[C@H](C(=O)N2CCC(c3ccccc3)CC2)C1,-1.0458862781524658
+O=C(NCCc1ccccc1)C1CC[NH+](CCF)CC1,-1.5818723440170288
+O=C(Nc1cccc(O)c1)N1CCN(c2ccccc2Cl)CC1,-1.0282710790634155
+C[NH+]1CCC(NC(=O)c2ccc(N3CCCCCC3)cc2)CC1,-1.2979449033737183
+O=C(c1cccc(F)c1)N1CCNCC1,-1.6732178926467896
+Nc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6700800657272339
+CCCCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.3578503131866455
+O=C(Nc1ccc(-c2ccc(Br)cc2)cc1)[C@@H]1CCCc2ccccc21,-0.6888085603713989
+C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.459552526473999
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599876403808594
+Cc1cc(Br)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-0.9862523078918457
+Nc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.3633925914764404
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8886023759841919
+Cc1nc(C(=O)Nc2nc(-c3ccc(Cl)cc3)no2)cs1,-0.7963334321975708
+O=C(N[C@@H]1CCN(c2cccc(F)c2)C1=O)c1ccccc1,-1.1399179697036743
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.013386845588684
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)ns2)cc1,-1.0342562198638916
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1,-1.064765214920044
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0750865936279297
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.5373711585998535
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.284500241279602
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395550727844238
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2111347913742065
+CC(C)(O)CC(=O)NCC1CC[NH+](C(C)(C)C)CC1,-1.5839744806289673
+c1ccc(-c2noc(CNCC3CCCC3)n2)cc1,-1.6282730102539062
+CC(C)NC(=O)N[C@@H]1CCC[NH+](CC(=O)[O-])C1,-1.672538161277771
+CC(C)C[NH+]1CCC(NC(=O)c2ncnc3ccccc23)CC1,-0.9506474733352661
+Cc1nc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.739223301410675
+CC(=O)NC1CCN(C(=O)c2ccc(F)c(C)c2)CC1,-1.0463305711746216
+C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]1C,-1.0835353136062622
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3905260562896729
+O=C([O-])C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1,-1.2150293588638306
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.5376710891723633
+O=C(NCc1ccccc1)Nc1ccc(I)nc1,-1.4944484233856201
+C[NH+]1CCC(CC(=O)N2CCC(Oc3ccccc3)CC2)CC1,-1.4807683229446411
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0361328125
+Cc1cc(F)ccc1CNC(=O)N1CC2(CCOCC2)C1,-1.5104172229766846
+[NH2+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9795247912406921
+Cc1ccc(-c2nc(NC(=O)c3cc(C)on3)cs2)cc1,-1.0524437427520752
+O=C(NCc1ccc(F)cc1)C(=O)N1CCCC(O)C1,-1.4620506763458252
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2458268404006958
+O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccccc2)C1,-0.963050365447998
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3210710287094116
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(N)cc2)cc1,-1.5570788383483887
+Cc1cccnc1C1CCN(C(=O)Nc2cccc(F)c2)CC1,-0.895422101020813
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0041217803955078
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9608301520347595
+Cc1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2)cc1,-1.5919133424758911
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1,-1.0360907316207886
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.9159005284309387
+Cc1ccc(CNc2ccc(-c3ccc(I)cc3)cc2)cc1,-1.3072181940078735
+Cc1nc(F)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9427340626716614
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0868314504623413
+Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3770089149475098
+O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccccc1,-1.5319993495941162
+Cc1cccc([C@@H]2CCC[C@H]2NC(=O)c2cnn(C)c2)c1,-1.1152747869491577
+Cc1ccc(C[NH+]2CCNCC2)cc1,-1.7939125299453735
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1F,-0.9377328753471375
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.0707685947418213
+O=C(Nc1ccc(Br)cc1Br)c1ccc(-c2ccccc2)cc1,-0.8572434782981873
+CC(C)C(=O)NC(=O)c1coc(-c2ccc(Cl)cc2)n1,-1.0607588291168213
+NC(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1,-1.1048939228057861
+C[C@H]1CCCN(C(=O)Cc2ccccc2)C1,-1.7082487344741821
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2827221155166626
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1675137281417847
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124958038330078
+CCOC(=O)C1CCCN(C(=O)c2ccccc2)C1,-1.5889476537704468
+O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1C[C@@H]1C1CCOCC1,-1.2578338384628296
+O=C(c1ccncc1Cl)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-0.8202640414237976
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2011280059814453
+C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1,-1.2246885299682617
+C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.374898910522461
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0075712203979492
+O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,-1.40487802028656
+COc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.1371034383773804
+O=C(Cc1ccccc1F)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.4000070095062256
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC12CCCC2,-1.198340892791748
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.0317319631576538
+C[C@H]1CCC[C@@H](NC(=O)NC2CCC3(CC2)OCCO3)C1,-1.564509630203247
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(O)c1,-1.081756591796875
+C[NH+]1CCC[C@@H](C(=O)NC[C@@](C)(O)c2ccc(Br)cc2)C1,-1.4365975856781006
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210111498832703
+O=C(N[C@@H]1CCC[C@H]([NH+]2CCCCC2)C1)c1cc(F)ccc1Cl,-0.7994888424873352
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5292389392852783
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1O,-1.354791283607483
+[NH3+]c1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0455405712127686
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1033961772918701
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.0336841344833374
+CC[NH+]1CCN(c2ccc(C(=O)N3CCC(O)CC3)cc2)CC1,-1.1595290899276733
+Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1O,-1.5253080129623413
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0325385332107544
+Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.2874056100845337
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.362162709236145
+C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.6877503395080566
+CC1(NC(=O)c2ccc(CC(F)(F)F)cc2)CCOCC1,-1.4420225620269775
+O=C1CCC(CNC(=O)CCc2cccc(O)c2)CC1,-1.583253026008606
+O=C(Nc1ccccc1)C(=O)N1CCC(c2ncsn2)CC1,-1.1231194734573364
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.2221496105194092
+COc1ccc(CNC(=O)c2cnn(C)c2)cc1,-1.6106282472610474
+Cc1cc(N2CCOCC2)ccc1C(=O)Nc1ccc(F)cc1,-1.1051719188690186
+Nc1ccc(NC(=O)Nc2ccc3c(c2)CCCC3)cc1,-1.2470201253890991
+CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)s1,-0.8279867172241211
+O=C(c1ccc(F)cc1[O-])N1CC[NH+](Cc2ccccc2)CC1,-1.1134408712387085
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.216347098350525
+Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.0670490264892578
+Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0930360555648804
+O=C1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1,-1.3947395086288452
+COc1ccc(OCC(=O)NCC(C)(C)C)cc1,-1.6778212785720825
+O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.877403199672699
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9138998985290527
+Cc1ccc(CN(C)C(=O)[C@H](O)Cc2ccccc2)cc1,-1.5396133661270142
+COc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.0639063119888306
+CC(O)=Nc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1,-0.9606616497039795
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700085163116455
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9212890267372131
+Cc1c[nH]c(C(=O)Nc2cn(C)nc2-c2ccccc2)c1,-1.1655675172805786
+Cc1ccc(CNC(=O)[C@H]2CC3(CCOCC3)CO2)cn1,-1.561246633529663
+Cc1cccc(N2CCC(C(=O)Nc3ccccc3C)CC2)c1,-1.0947272777557373
+O=C(NCc1cccc(Cl)c1)N1CCC2(CC[NH2+]CC2)C1,-1.4340713024139404
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.9214056730270386
+c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(N2CCOCC2)CC1,-1.0563735961914062
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cn1,-0.9204445481300354
+Cc1cccc([C@@H]2CCC[C@H]2NC(=O)c2cnc(C)o2)c1,-1.1744924783706665
+Cc1cccc(CN2CCN(Cc3ccccc3)C(C)C2)c1,-1.4507311582565308
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954789042472839
+O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9620333313941956
+O=C(N[C@H]1CCC[C@@H](c2ccccc2F)C1)c1ccc(O)cc1,-1.0440046787261963
+CCOc1ccc(CNCCS(C)(=O)=O)cc1,-1.7257108688354492
+O=C(NCc1ccc(F)cc1Br)c1c(F)cc(F)cc1F,-0.3836597502231598
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1O,-1.180596947669983
+C[C@@H]1COCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1642189025878906
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3403997421264648
+Cc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.3423080444335938
+CC(C)Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1,-1.1975764036178589
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Cl)cc1F,-0.9098762273788452
+C[NH+]1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1,-1.3215440511703491
+FC(F)(F)c1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1,-1.1948598623275757
+c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1,-1.157326102256775
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2687562704086304
+Cc1ccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl,-0.9636771082878113
+O=C(NC[C@@H](O)Cc1ccc(O)cc1)c1ccc(I)cc1,-1.3710447549819946
+O=C(NC1CCC(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8610724210739136
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.0630509853363037
+Oc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.3567054271697998
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1602686643600464
+Oc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.2428261041641235
+CC1(C)CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.3527752161026
+NS(=O)(=O)C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.0676552057266235
+C[NH+]1CCC(CNC(=O)N2CCC3(CCCO3)CC2)CC1,-1.5453799962997437
+O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1,-1.2837294340133667
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0695053339004517
+N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,-1.5290049314498901
+COC[C@H]1CCCN(C(=O)Nc2ccn(C)n2)C1,-1.6399744749069214
+CC(=O)NC1CCN(C(=O)Cc2ccc(O)cc2)CC1,-1.5340033769607544
+CC(C)CCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1,-1.4621682167053223
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9249590039253235
+CCc1ccc(NC(=O)C(C)(C)N2CC[NH+](C)CC2)cc1,-1.3122142553329468
+Fc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.2462141513824463
+COc1ccc(NC(=O)N2CCCC3(CCNCC3)CC2)cc1,-1.4804623126983643
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.242566466331482
+CC1(C)CC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1,-0.9341261982917786
+O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)[C@H]1CCCCC[C@H]1O,-0.999192476272583
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9699346423149109
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.1456162929534912
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3N)CC2)cc1,-1.1119987964630127
+O=C(NCc1ccccc1O)N[C@H]1CC12CCC2,-1.6220829486846924
+Cc1ccc(COC(=O)Nc2ccccc2)cc1,-1.6969178915023804
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571040868759155
+Nc1ccc(CC(=O)NCCCc2ccc(F)cc2)cc1,-1.5243232250213623
+Nc1ccc(CNC(=O)Nc2ccccc2)cn1,-1.6389933824539185
+O=C(CC1CCOCC1)NC[C@@H](O)Cc1ccc(Cl)cc1,-1.5290781259536743
+C[NH+]1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.3806442022323608
+O=C(N[C@H]1CCC[C@@H](O)C1)c1ccc(-c2ccccc2Cl)cc1,-1.0209096670150757
+O=C(NCc1ccccc1)c1ccc(CCCF)cc1,-1.5990456342697144
+Cc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1Cl,-1.0425089597702026
+Cn1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1,-1.1500338315963745
+COc1ccc(S(=O)(=O)NC(=O)CC2CCCCC2)cc1,-1.5400516986846924
+O=C(NCC(=O)c1cc2ccccc2o1)c1cccc(F)c1,-1.187417984008789
+CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3466501235961914
+O=C(NCc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.4297398328781128
+C[C@H]1CCCN(c2ccc(NC(=O)C3CCCCCC3)cc2)C1,-1.289015293121338
+Cc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1,-0.9922083616256714
+Cc1cccc(NC(=O)c2cc[nH]c2-c2ccc(Cl)s2)c1,-1.0821819305419922
+O=C(Nc1cc(F)ccc1F)c1ccc(N2CCCCC2)nc1,-0.8549863696098328
+COc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1,-1.3721646070480347
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.1701908111572266
+Nc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.058341145515442
+Cc1ccc(C(=O)Nc2ccc(C)c(-c3ccccc3)c2)cc1,-1.1609008312225342
+O=C([O-])CCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5745571851730347
+O=C(NCC1CCC2(CCCO2)CC1)c1ccc(Cl)nc1,-1.3748537302017212
+CCNC(=O)c1cc(C)nn1CC1CCOCC1,-1.5884522199630737
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0909548997879028
+COc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.1290926933288574
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(F)cc1,-1.0326299667358398
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.032694697380066
+Cc1ccc(F)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0397498607635498
+Cc1cccc(OCc2nc(-c3ccc(I)cc3C)no2)c1,-1.0162343978881836
+CC(C)C1CC[NH+](CC(=O)N2CCC([NH+](C)C)CC2)CC1,-1.0598862171173096
+CC1(C)CN(C(=O)NCCCc2cccc(Br)c2)CCO1,-1.4742683172225952
+C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)C2)CC1,-1.157426357269287
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1,-0.9726065993309021
+Cc1cccc(NC(=O)N2CCC(c3ccccc3O)CC2)c1,-1.1461710929870605
+CC(C)C(C)(C)C(=O)NCCOc1ccc(Br)cc1,-1.3096057176589966
+O=C(NCc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1,-1.174489140510559
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[NH+])cc2)CC1,-1.1689459085464478
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cn2)cc1,-1.0507692098617554
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3363487720489502
+Fc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1,-1.4105899333953857
+Cc1nc2cc(C(=O)NCc3ccc(I)cc3)ccc2[nH]1,-0.9224112033843994
+Cc1noc(-c2cccc(C(=O)Nc3nnc(C)s3)c2)n1,-0.7705824971199036
+CC1(C)CCCN(C(=O)NC[C@H](O)Cc2ccccc2)C1,-1.6163651943206787
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.5236377716064453
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.446520209312439
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.3008127212524414
+COC(=O)c1ccc(C(=O)NC2CCOCC2)cc1,-1.6549798250198364
+Cc1ccc(C[NH+]2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1,-1.0927729606628418
+O=C(Nc1ccc([O-])cc1)C1CCN(c2ccccc2F)CC1,-1.0502891540527344
+O=C(Cc1ccc(Br)cc1)NCc1cn2ccccc2[nH+]1,-1.3254821300506592
+Cn1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)n1,-0.9440568685531616
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.034103274345398
+O=C(Nc1ccc(Br)cc1F)N1CCO[C@H](c2ccccc2)C1,-1.0183191299438477
+COc1ccc(C[NH+]2CC[C@H](NC(C)=O)C2)cc1,-1.642009973526001
+O=C(COc1ccccc1)NCC1CCOCC1,-1.726436734199524
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1108403205871582
+Cc1ccc(C)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1,-1.1659754514694214
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080657482147217
+CC(C)C(=O)N1CCC[C@@H](NC(=O)Cc2ccccc2F)C1,-1.1682953834533691
+Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1,-1.365470290184021
+C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.5019832849502563
+O=C(c1ccc(O)cc1O)N1CCN(Cc2ccccc2)CC1,-1.2487802505493164
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.8987495303153992
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1,-1.0667650699615479
+CC1(C)Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2O1,-1.4210481643676758
+NN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2165014743804932
+CCCC(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1,-1.0860440731048584
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.1897474527359009
+CN1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4757521152496338
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.137835144996643
+O=C([C@H]1C[C@H]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1,-1.1887354850769043
+Cc1ccc(C(=O)CNC(=O)Cc2ccccc2)cc1,-1.59349524974823
+CCOC1(C)CCN(CC(=O)NC(C)C)C1,-1.738803505897522
+C[NH+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)C1,-1.0149561166763306
+Cc1cc(F)ccc1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.1392277479171753
+Cc1nc(CN2CCN(C(=O)Cc3cccs3)CC2)cs1,-1.1338797807693481
+N#Cc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1,-1.3046706914901733
+O=C(NCc1cccc(Cl)c1)N1CCC2(CCOCC2)C1,-1.5064457654953003
+Cc1ccc([C@](C)(O)CNC(=O)c2ccc(F)cc2)cc1,-1.4604319334030151
+O=C(NC1CC(c2ccccc2)C1)c1ccnc2cccnc12,-0.9343352913856506
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.273302674293518
+CC[C@H](C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0828453302383423
+CN1CCN(c2ccc(OCc3ccc(N)cc3)cc2)CC1,-1.3653815984725952
+C[C@H]1CN(c2ccc(Br)cc2)CC[C@H]1NC(=O)c1ccccc1,-0.9268457889556885
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.8736088275909424
+O=C(Cc1ccccc1)NCc1nc2ccc(F)cc2s1,-1.062731385231018
+O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(F)cc1,-1.0060971975326538
+C[NH+]1CC[C@H](NC(=O)c2ccccc2F)[C@H](c2ccccc2)C1,-1.0257359743118286
+Cc1ccc(C(=O)NC2CCN(c3ccccc3O)CC2)nc1,-1.0455561876296997
+CN(C)c1ccc(NC(=O)C[C@@H]2CCNC(=O)c3ccccc32)cc1,-0.8439810872077942
+Cc1ccc(C(=O)Nc2csc(-c3ccc(F)cc3)n2)s1,-0.8818252682685852
+O=C(NCCOc1ccc(F)cc1)c1ccon1,-1.695885419845581
+Cc1cnn(C)c1NC(=O)c1cnn(-c2ccccc2)c1,-1.0436527729034424
+O=C(NCc1ccc(Cl)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8299562931060791
+CC(=O)N1CCC[C@@H](NC(=O)c2ccc(I)c(F)c2)C1,-0.8447320461273193
+c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2636088132858276
+Cc1cc(F)ccc1N1CCN(C(=O)NC2CCOCC2)CC1,-1.1443121433258057
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9653630256652832
+CC1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,-1.480535864830017
+O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2s1,-1.0922120809555054
+Cc1cc(CNc2cccc(N3CCOCC3)c2)ccc1Cl,-1.1838241815567017
+CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(F)cc2)C1,-1.2662240266799927
+Cc1cccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1,-1.3762190341949463
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9562456011772156
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nn1,-0.9740684628486633
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.298963189125061
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700125694274902
+Cc1cccc(Cc2nc(Cc3ccc(F)cc3Br)no2)c1,-0.9218671321868896
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2[nH]ccc2c1,-1.1421171426773071
+[NH3+]c1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.34352445602417
+CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1,-1.0819660425186157
+CC1=CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)CC1,-0.9656780958175659
+C[C@H]1CN(C(=O)C2CCCCC2)CC[NH+]1Cc1ccc(Cl)cc1,-0.9553344249725342
+Cc1ccc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1C,-0.6992112994194031
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2747389078140259
+NC(c1ccc(NC(=O)c2ccccc2)cc1)C(F)(F)F,-1.3123871088027954
+O=C(Cc1ccc(F)cc1)NCc1cn2ccccc2[nH+]1,-1.4021333456039429
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.1571204662322998
+O=C(CNCC1CCCC1)Nc1ccc(F)cc1,-1.6150294542312622
+CC1CN(CC2CCN(Cc3ccccc3)CC2)CC(C)O1,-1.515076756477356
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.315853238105774
+Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.4862034320831299
+Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cc2)cc1,-1.3674383163452148
+Oc1ccc(CNc2ccc(-c3ccc(O)cc3)cc2)cc1,-1.452467918395996
+[NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2651675939559937
+CCOc1ccccc1C[NH+]1CCOC2(CC[NH+](C)CC2)C1,-1.543881893157959
+O=[N+]=NC1(c2ccccc2)CCC(NCc2ccccc2)C1,-1.5484647750854492
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCOCC2)C1,-1.6607685089111328
+O=C(NCCN=C(O)Cc1ccc(Cl)cc1)c1ccccc1,-1.464592695236206
+Cn1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cn1,-0.8814319372177124
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9842142462730408
+c1ccc(-c2noc(CNCC3CCCC3)n2)cc1,-1.5922455787658691
+O=C(Nc1ncccc1F)c1ccc(-c2ccc(F)cc2)cc1,-0.9187798500061035
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.142596960067749
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1,-1.0184998512268066
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc([O-])cc1,-1.3190758228302002
+O=C(NC1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCOCC1,-0.7990700602531433
+C[C@H]1CCC[NH+](CCNC(=O)c2ccc3cc(F)ccc3n2)C1,-0.8490713238716125
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1,-1.36611008644104
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-1.0605049133300781
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2081060409545898
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1003533601760864
+CC(C)C(=O)NC1CC(Cc2cc(Br)ccc2Cl)C1,-0.9318603277206421
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.8604220151901245
+C[NH+]1CCN(c2ccccc2Cl)CC1,-1.6919074058532715
+O=C(C[NH+]1CCOCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.3579459190368652
+CC(C)COc1ccc(NCc2ccccc2)cc1,-1.667227864265442
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3829221725463867
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2178326845169067
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.103337287902832
+CC(=O)Nc1ccc(OCC2CC=CC2)cc1,-1.7271047830581665
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.3646295070648193
+CC(C1CCCCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1,-1.0900670289993286
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.3010714054107666
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0463840961456299
+Cc1nc2cc(C(=O)NCc3ccc(I)cc3)ccc2o1,-0.9554889798164368
+Cc1ncsc1NC(=O)N1CCCN(c2ccc(Cl)cc2)CC1,-0.7616366744041443
+O=C(N[C@H]1C[C@@H]2C[NH+](C3CCCCC3)C[C@@H]2C1)c1ccccc1,-1.1627376079559326
+Cc1ccc(-c2ccccc2OCC2CCN(C)CC2)cc1,-1.3738151788711548
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4634238481521606
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.9724803566932678
+COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1,-0.9906355142593384
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3490504026412964
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.2000463008880615
+O=C(Cc1ccccc1)NCC(=O)c1ccc(Cl)cc1,-1.5338866710662842
+Nc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.1635991334915161
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-0.9703198671340942
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0713497400283813
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(I)cc1O,-0.9517545104026794
+Nc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9482377767562866
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210241436958313
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9734237194061279
+COc1ccc(CC2CC[NH+](CS(N)(=O)=O)CC2)cc1,-1.5664918422698975
+O=C(CCC1CCCCC1)NCc1ccccc1,-1.7602248191833496
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.2953572273254395
+O=C(NCCO[C@H]1CC[NH2+]C1)c1cccc(Cl)c1,-1.6123100519180298
+CC1CCC(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1,-1.1483269929885864
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1,-1.1212754249572754
+C[NH+]1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1,-1.0046725273132324
+CN1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4066604375839233
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.277410626411438
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0046790838241577
+Cc1cccnc1NC(=O)c1ccc(-c2cccc(F)c2)cc1,-0.9751216769218445
+Cc1ccccc1OCC(=O)N1CC[C@@](C)(c2ccccc2)C1,-1.4241539239883423
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(O)cc1,-1.4823534488677979
+O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@H]1CC12CCC2,-0.8209940195083618
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(F)c1,-1.2796213626861572
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Br)cc2)CC1,-1.0433748960494995
+Nc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9983362555503845
+CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3397940397262573
+C[C@@H]1C[NH+](C)CCN1C(=O)NC1CCN(c2ccccc2)CC1,-1.1054446697235107
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.8536452651023865
+O=C(NC1CC(F)(F)C1)c1ccc(N2CCCCC2)cc1,-1.1778864860534668
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.8858849406242371
+O=C(NCc1cccc(F)c1)N1CCC2(CCOCC2)C1,-1.539855718612671
+CC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,-1.572426676750183
+Cc1ccc(C[C@@H](O)CNC(=O)CC2CCCCC2)cc1,-1.5688402652740479
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.5482652187347412
+Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9464036226272583
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0365146398544312
+O=C(Nc1ncccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.7777360677719116
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2654523849487305
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1826732158660889
+Cc1ccc(N2CCC(NCc3ccc(I)cc3)CC2)cc1,-1.230997085571289
+O=C(Nc1ncccc1O)N1CCN(c2ccc(F)cc2)CC1,-0.9805326461791992
+Cc1cccc(NC2CCN(Cc3ccc(N)cc3)CC2)c1,-1.341923475265503
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(I)cc2)cc1,-1.329807996749878
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.029509425163269
+CC1(C)CCN(C(=O)[C@@H]2CCC[NH+]2Cc2cccs2)CC1,-1.2422711849212646
+Cn1cc(CNC(=O)c2ccc(N)cc2)c2ccccc21,-1.0644774436950684
+CC(C)(O)CN1CCC[C@H](NC(=O)c2ccc(F)cc2)C1,-1.4647972583770752
+O=C(C[NH+]1CCCCC1)NCc1ccc2c(c1)OCCO2,-1.59165620803833
+C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2ccccc2)CC1,-1.2721409797668457
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-1.0035767555236816
+Cc1nc(-c2ccc(O)cc2)ccc1NC(=O)c1ccccc1,-1.0348684787750244
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(-c2cccs2)cc1,-1.1504642963409424
+O=C(COc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,-1.29383385181427
+c1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)no2)cc1,-1.2034567594528198
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1606563329696655
+O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)CC1,-1.235433578491211
+O=C(NCCOc1ccccc1)c1cc(Br)no1,-1.5630650520324707
+Cc1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1N,-0.5722432732582092
+CCSc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2,-0.47206759452819824
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3C)C2)cc1,-1.114673137664795
+[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9388152956962585
+Cc1cnc(-c2ccccc2)cc1C(=O)Nc1cccc(Cl)c1,-0.9009240865707397
+CCCCCC(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1,-1.382171630859375
+Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)no1,-1.14612877368927
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.9737983345985413
+O=C(Cc1ccc(Br)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.3484095335006714
+COc1ccc(N2CCN(C(=O)c3ccc([S-])cc3)CC2)cc1,-1.0729563236236572
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.9485524296760559
+O=C(Cc1ccccc1O)N[C@H]1CCCO[C@H]1c1ccccc1,-1.4614230394363403
+Fc1ccc(-c2nc(CNc3ccc(I)cc3F)cs2)cc1,-0.6053178310394287
+C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2730451822280884
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8924236297607422
+O=C(N[C@H]1CCCCC1=O)c1ccc(-c2ccccc2)cc1,-1.4839357137680054
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5316812992095947
+[NH3+]C1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0223991870880127
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.0598469972610474
+Cc1ccc(N(C)C(=O)COc2cccc(Br)c2)c(C)c1,-1.080287218093872
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9028955698013306
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9503136873245239
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n[nH]1,-1.0007952451705933
+CC(=O)Nc1ccc(C(=O)N2CCOC(C)(C)C2)cc1,-1.5616511106491089
+CC(C)(C)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)C2,-1.1366063356399536
+Cc1nc2c([nH]1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.798396646976471
+C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.9156432151794434
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.083039402961731
+O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1F,-0.8771685361862183
+C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.4433892965316772
+Cc1ccccc1C(=O)N[C@@H]1CN(c2ccccc2)CC1=O,-1.2184934616088867
+C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1Cc1ccc(Br)cc1,-0.9953707456588745
+CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1,-1.0875078439712524
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112716674804688
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110249042510986
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382911205291748
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5505194664001465
+CC1(O)CN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.5329934358596802
+CC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1,-1.3296912908554077
+O=C(NCCCc1c[nH]c2ccccc12)c1cccc(F)c1F,-0.8926041722297668
+C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,-1.1042015552520752
+Cc1cc(NC(=O)c2scnc2-c2ccc(Cl)cc2)no1,-0.8985319137573242
+CC(C)(C)CC(=O)N1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1,-1.2138713598251343
+CC1(Nc2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1,-1.4340912103652954
+Cc1ncccc1C(=O)N[C@@H]1CCCC[C@@H]1c1cccc(Cl)c1,-0.7885503768920898
+Nc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9261727929115295
+O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCS(=O)(=O)C1,-1.1016919612884521
+Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)s1,-1.0645204782485962
+CC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1,-1.0322802066802979
+C[C@H]1OC(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1,-1.5489563941955566
+CC(C)(C)CNCc1ccc(N2CCCS2(=O)=O)cc1,-1.5343983173370361
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0864816904067993
+O=C(COc1ccc(Br)cc1)NCc1ccco1,-1.5967376232147217
+COc1ccc(CNC(=O)N2CCC(C)C2)cc1,-1.6094470024108887
+C[C@H](CC(=O)NCc1ccc(Cl)nc1)c1ccc(Br)cc1,-1.002013087272644
+CC(C)C(NC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.14121413230896
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.9769466519355774
+Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)s1,-0.6961687803268433
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)cc1,-1.1095960140228271
+O=C(Cc1cc2cc(Br)ccc2o1)NCc1ccccc1,-1.464184045791626
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1I,-0.8965215682983398
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9794080853462219
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1O,-1.0523842573165894
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1917264461517334
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2234913110733032
+Cc1ccc(-c2ccc(CNc3ccc(F)cc3)cc2)cc1,-1.448503017425537
+Nc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.18666672706604
+Cn1nc(CNC(=O)c2ccc(F)cc2)c2ccccc21,-0.9155292510986328
+O=C(Nc1ccc(F)cc1)N1CCC[NH+](C2CCCCC2)CC1,-1.2316583395004272
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.7485252022743225
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ncc1Cl,-0.7884851098060608
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.2638165950775146
+O=C(c1ccc(F)cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1,-0.8909527063369751
+O=C1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.3424164056777954
+C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ccccc3Cl)C2)C1,-0.9036099314689636
+Cc1ccc(CNC(=O)c2ccc3nc(C)oc3c2)cc1,-1.2806916236877441
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1O,-1.481384515762329
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.063207745552063
+O=C(CCc1ccccc1)N[C@H]1CCC[C@H](c2ccccc2)C1,-1.5032135248184204
+Cc1ccc([C@@H]2C[C@H](NC(=O)c3ccccc3C)CCO2)cc1,-1.2040177583694458
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1216882467269897
+O=C(O)CN=C(O)Cc1ccc(OCc2ccccc2)cc1,-1.5745809078216553
+COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1,-1.1986875534057617
+O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1,-0.7993409633636475
+Cc1cccc(C(=O)NCC(=O)N2CCC[C@@H](C)C2)c1,-1.405135154724121
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.263575553894043
+Cc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)co1,-1.200293779373169
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.1036789417266846
+N#CCc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c(Cl)c1,-0.8409619331359863
+Nc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1444000005722046
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.363822340965271
+O=C(c1cc(F)nc2ccccc12)N1CCC(c2ccc(F)cc2)CC1,-0.3454926013946533
+Clc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1,-1.104209065437317
+O=C(NCC1(O)CCOCC1)Nc1ccccn1,-1.7261914014816284
+CC(C)(C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCOCC1,-0.981640636920929
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400641918182373
+CC1(O)CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C1,-1.4615024328231812
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.1831532716751099
+C[C@H]1C[NH+](Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.2952473163604736
+[O-]c1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3078728914260864
+C[NH+]1CC[C@@H](CNC(=O)c2ccc3ccc(Br)cc3c2)C1,-0.9951564073562622
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1,-1.1913076639175415
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.1808561086654663
+CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1,-1.4358973503112793
+Cc1ccc(C(=O)N2CC[NH+](CC[NH+]3CCOCC3)CC2)cc1,-1.4401450157165527
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.0679199695587158
+COc1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1,-1.599815845489502
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)n1,-0.7622572183609009
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1,-1.0648956298828125
+O=C(Nc1ccc(F)cc1Br)c1cccc(N2CCCCC2)c1,-0.934859573841095
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0416401624679565
+Fc1ccc(N2CCC(OCc3ccc(Cl)cc3)CC2)cc1,-1.3162550926208496
+O=C(NC1CCN(c2ccccc2F)CC1)c1cccc(F)c1,-0.9534433484077454
+O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1,-1.111121416091919
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.169095516204834
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1347333192825317
+Cc1cc(F)ccc1CN1CC[NH+](Cc2cnn(C)c2)CC1,-1.0306520462036133
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1496373414993286
+O=C(Cc1ccccc1Br)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.2945427894592285
+Clc1ccc(-n2nnnc2SCc2ccc(Cl)cc2Cl)cc1,-0.3635979890823364
+O=C(Nc1cnccc1F)N1CCC(c2ccc(Br)cc2)CC1,-0.8006598949432373
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8920692205429077
+Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1O,-1.4232836961746216
+Cc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)c(Cl)c1,-1.0866960287094116
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0642979145050049
+CC1CCC(C)C(NC(c2ccccc2)c2ccccc2)C1,-1.3940004110336304
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.9053499102592468
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9303735494613647
+Cn1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)c1,-1.1940432786941528
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9631052613258362
+CC(=O)N1CCN(C=O)CC1,-1.8873636722564697
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0164403915405273
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.484133005142212
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.3499304056167603
+OC(=NCNc1ccccc1)[C@H]1CCCN1Cc1ccccc1,-1.5048902034759521
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1,-1.08113694190979
+O=C(Nc1ccccc1Br)C1CCN(c2ccc(F)cc2)CC1,-0.8577246069908142
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700129270553589
+O=C(NCc1nc2ccc(F)cc2o1)c1ccc(F)cc1,-1.0091222524642944
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0746865272521973
+Cc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.0703647136688232
+C[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1500834226608276
+CN(C(=O)N1CCOC[C@@H]1c1ccc(F)cc1)C1CCCCC1,-1.0667474269866943
+[NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9552904963493347
+O=C(c1ccc(C[NH+]2CCCC2)s1)N1CCC2(CCC2)C1,-1.3421909809112549
+O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(F)c1,-1.4116706848144531
+Cc1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1,-0.9143756031990051
+O=C(NC1(c2ccccc2)CCCCC1)c1cccc(Cl)c1F,-1.0064748525619507
+O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(O)cc1,-1.3836345672607422
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0734426975250244
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4327908754348755
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-1.1193753480911255
+CC(C)(O)[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1Cl,-0.8511183857917786
+Fc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.1672240495681763
+Nc1ccccc1CC(=O)N1CCN(Cc2ccccc2)CC1,-1.3647160530090332
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.5861048698425293
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526856422424316
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc([O-])cc1,-1.2905635833740234
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.2096309661865234
+O=C(Cc1cccnc1)N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1,-1.254142165184021
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4634355306625366
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-0.974206268787384
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.676186442375183
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)nn1,-0.8656083941459656
+Cc1cc(Br)ccc1NC(=O)c1ccc(C2CCCCC2)cc1,-0.9871428608894348
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(O)cc2)CC1,-1.0147194862365723
+N#Cc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1,-1.0775530338287354
+Fc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1F,-1.228581190109253
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352315187454224
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.111107349395752
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1020439863204956
+Cc1ccc2cc(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)ccc2n1,-0.44938531517982483
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.1902867555618286
+Fc1cc(NCc2ccc(Br)cc2)ccc1C1CCCCC1,-1.004230260848999
+O=C(c1cccc(Br)c1F)N1CCC(Cc2ccccc2)CC1,-0.9678395390510559
+C[C@@H]1CCCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1,-1.2871007919311523
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8511367440223694
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641395807266235
+Nc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.0923736095428467
+Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1,-1.3955907821655273
+Fc1ccccc1CNCc1ccc(C2CC2)cc1,-1.4532537460327148
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.7175847291946411
+Cc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1430695056915283
+CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2F)cc1,-1.1179364919662476
+C[C@@H](CC1CCCC1)NC(=O)NC1CCOCC1,-1.6734200716018677
+Brc1ccc(N2CCC(OCc3cccc(Br)c3)CC2)nc1,-0.9803760051727295
+Cc1ccc(C(=O)NCCCc2ccc(O)cc2)cc1Br,-1.1991980075836182
+CCN1CCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CC1,-1.0495339632034302
+O=C(Nc1ccc(-c2ccccc2)cc1)C(O)=Nc1ccc(F)cc1,-1.1329845190048218
+Cc1nc(Br)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1,-0.677523672580719
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3423956632614136
+CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2159152030944824
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1484925746917725
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1028318405151367
+Cc1ccc(OCC(=O)N2CC[C@@H](O)C3(CCCCC3)C2)cc1C,-1.1377229690551758
+C[C@@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3076999187469482
+Cc1ncsc1CNC(=O)Nc1ccc(I)cc1,-1.1276317834854126
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1,-0.4569692611694336
+O=C(Cc1ccc(Br)cc1)N[C@H]1C[C@H](c2ccccc2)C1,-1.3456202745437622
+CC[C@@H](C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.4195027351379395
+CC(O)=Nc1cccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1,-0.8870762586593628
+O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1,-1.08649480342865
+O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,-1.403712272644043
+Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Cl,-1.223770260810852
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1O,-1.1133607625961304
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2o1,-1.1507632732391357
+CC(C)N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1,-1.013473629951477
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8912801742553711
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9748331904411316
+O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1,-1.3309955596923828
+O=C1NCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.0540781021118164
+O=C1NCCN(C(=O)NC2CCCCC2)[C@@H]1c1ccccc1,-1.3593615293502808
+O=C(Nc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1Cl,-1.0632424354553223
+Fc1cccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)c1,-1.1013723611831665
+CC(C)(O)CNC(=O)N1CCN(c2ccc(O)cc2)CC1,-1.5203654766082764
+[NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.0904258489608765
+Cc1nnc(CCC(=O)NC[C@H]2CCC(F)(F)C2)s1,-0.9726101756095886
+CC1(C)CC[NH+](C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1,-0.8198727369308472
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9288018941879272
+C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CCN1c1ccc(F)cc1,-0.502534031867981
+O=C(Cc1cccs1)Nc1nnc(-c2ccc(Cl)cc2)s1,-0.9154631495475769
+Fc1ccc(CNc2nnc(-c3ccc(Cl)cc3)s2)c(F)c1,-0.5203051567077637
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1013725996017456
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0053234100341797
+Nc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.945582389831543
+O=C(c1coc2ccccc12)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9250736832618713
+Cc1ccc(CNC(=O)[C@@H]2CCc3nn(C)cc3C2)cc1,-0.9940123558044434
+O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1,-0.8880420923233032
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cc1,-0.8710297346115112
+O=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)[C@H]1CC[C@H](F)C1,-0.8915401101112366
+O=C(O)Nc1ccc(OCc2ccccc2)cc1,-1.7026698589324951
+O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(CO)CC1,-1.1659926176071167
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)c(F)c1,-0.9228423237800598
+COc1ccc(CNC(=O)c2ccn(C)n2)cc1,-1.6040382385253906
+Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.5897486209869385
+O=C(c1ccc(F)cc1F)N1CCCC[C@@H]1Cc1ccccc1,-1.044504165649414
+O=C(NC1C[NH+]([C@H]2CCC[C@@H](O)C2)C1)c1ccc(F)cc1,-1.2205836772918701
+Nc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2515394687652588
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5583282709121704
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.2223814725875854
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2516498565673828
+CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.2933002710342407
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC[C@@H](O)C1,-1.4421800374984741
+C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3920544385910034
+O=C(NC1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,-1.1015000343322754
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1577467918395996
+CC(C)(C)C(NC(=O)C1CCC(O)CC1)c1ccccc1,-1.3432934284210205
+Cc1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1,-1.0244208574295044
+O=C(Nc1nc2ccccc2s1)[C@@H]1CCN(c2ccccc2)C1,-0.9469748735427856
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0916110277175903
+O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(O)CC1,-1.2707527875900269
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0419632196426392
+Cc1cc(OCc2ccccc2)c(N2CCNCC2)cc1Cl,-1.1674084663391113
+Fc1ccc(C[NH2+]C2CCN(c3ccc(I)cn3)CC2)cc1,-1.0301719903945923
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8975697159767151
+COc1ccc(C[NH+]2CCCC[C@H]2c2nc3ccccc3o2)cc1,-1.1974486112594604
+C[C@@H]1C[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1,-1.5304979085922241
+Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1,-0.9521044492721558
+Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C)o2)cc1,-1.3808616399765015
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2352960109710693
+CC(C)[NH+]1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C2)C1,-1.5089597702026367
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1,-1.2127203941345215
+O=C(NCc1ccc(F)cn1)c1ccc2c(c1)CC[NH2+]C2,-1.01772141456604
+Cc1ccc(C(C)N=C(O)C2CN(C(=O)Cc3ccccc3)C2)cc1,-1.0745645761489868
+Fc1ccc(-c2noc(CCOc3ccc(Cl)cc3)n2)cc1,-1.112062692642212
+CC(C)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1,-1.5028049945831299
+Cc1ccc(-c2noc(CCCOc3ccc(Br)cc3)n2)o1,-1.2462520599365234
+C[C@@H]1CCC[C@H](C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.3709324598312378
+Cc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1,-1.2354933023452759
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.1882089376449585
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2031402587890625
+Cc1cc(Cl)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9740759134292603
+O=C(N[C@H]1CCO[C@H](c2ccccc2F)C1)c1cccc(F)c1,-1.035831093788147
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2nccs2)cc1,-0.7994732856750488
+O=C(Nc1ccc([O-])cc1F)C1CCN(c2ccccc2)CC1,-1.028976321220398
+Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)n[nH]2)cc1,-1.1673702001571655
+Cc1cc(O)ccc1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1,-1.0899255275726318
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.030707836151123
+O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9591692090034485
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1,-1.1148751974105835
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1036428213119507
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0206042528152466
+O=C1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCN1,-1.4074807167053223
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0390713214874268
+CC[NH+]1CCN(C(=O)CNc2cc(C)nc3ccccc23)CC1,-0.874338686466217
+Cc1ccc(CNC(=O)Cc2ccc(Cl)c(Br)c2)s1,-0.9455414414405823
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.0193376541137695
+Cc1cccc(C2CCN(C(=O)Nc3ccccc3O)CC2)c1,-1.1408705711364746
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(Cl)cc2)CC1,-0.8318597078323364
+O=C(NC[C@@H]1CCCC12CCOCC2)c1cccc2[nH]cnc12,-1.132841944694519
+COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0611143112182617
+O=C(Nc1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1,-0.9142377972602844
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.2173162698745728
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4684897661209106
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2F)CC1,-0.8963749408721924
+Cc1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1N,-1.081489086151123
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5252457857131958
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2992405891418457
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1,-1.3260759115219116
+CC(C)(C(=O)NCc1cccc(Cl)c1F)[NH+]1CCOCC1,-1.0320204496383667
+Cc1ccc(CN2CCN(C(=O)C3CCOc4ccccc43)CC2)cc1,-1.0340439081192017
+C[NH+]1CCCN(c2ccccc2)CC1,-1.8418375253677368
+CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CC23CCOCC3)C1,-1.3125579357147217
+Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.9781339168548584
+CC1(C)CC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,-1.427978277206421
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)N1CCCC1,-1.3416420221328735
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4498023986816406
+Cc1csc(N2CC[C@H](NC(=O)c3ccc(F)cc3)C2)n1,-0.9448615908622742
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1137123107910156
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)o1,-1.195712685585022
+O=C(Nc1ccccc1)c1ccc(OCCCO)cc1,-1.6379085779190063
+Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-1.0193668603897095
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(F)c1,-1.070859432220459
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-1.0384795665740967
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,-0.8325026631355286
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.2257837057113647
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.103319525718689
+Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.024593472480774
+C[C@@H]1CCN(C(=O)NCCCc2ccc(F)cc2)C[C@H]1F,-1.0936343669891357
+Cc1ccc(CN2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2829116582870483
+Cc1ccc(COc2ccc(Cl)cc2)c(-c2ccccc2)n1,-1.1044565439224243
+O=C(CNc1ccccc1)NCc1ccccc1,-1.736453890800476
+O=C(Cc1ccc(F)cc1)N[C@@H]1C[C@H]1c1ccccc1Br,-0.9966213703155518
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.942913293838501
+CC(C)CC(=O)N1CCC(OCc2ccc(F)cc2)CC1,-1.5165358781814575
+c1ccc(N2CCOCC2)c(C[NH+]2CCC(c3nn[n-]n3)CC2)c1,-1.0159378051757812
+O=C(Nc1ccc2cn[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8543023467063904
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3O)CC2)c1,-1.170873999595642
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)s1,-1.0019137859344482
+[O-]c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.425422191619873
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cn1,-1.0031516551971436
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0789774656295776
+Cc1ccc(CNc2cc(C)nc(-c3ccccc3)n2)cc1,-1.1024813652038574
+Cc1ccc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1,-1.606884479522705
+OC(CCOc1ccc(F)cc1)=Nc1cc(Cl)ccc1N1CCOCC1,-0.9748079776763916
+Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)C2)cc1,-1.4509034156799316
+Cc1ncccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.002804160118103
+Cc1csc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n1,-0.9175019860267639
+CC(O)=Nc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)c1,-0.8407788872718811
+CC(C)(C)CN1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.0978730916976929
+COCCNc1ccc(CN2CCNC(C)C2)cc1,-1.6152292490005493
+O=C(Nc1cccc(O)c1)c1ccc(N2CCCC2=O)cc1,-1.2762418985366821
+C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.0577850341796875
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)on3)C2)cc1,-1.215891718864441
+CN1CCN(c2cccc(NC(=O)C3CCCCC3)c2)C1=O,-1.1430604457855225
+Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0704643726348877
+CC1CC[NH+](CCCC(=O)NCc2ccc(F)cc2)CC1,-1.5506330728530884
+O=C(Nc1ncccc1O)N1CCC(c2ccc(F)cc2)CC1,-0.9573287963867188
+CC1(C)CC(CN2CCN(Cc3ccccc3)CC2)CCO1,-1.5662442445755005
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCCCC2)C1,-1.5154750347137451
+CC(C)C(=O)N1CCC(N2CCN(C(=O)C(C)(C)C)CC2)CC1,-0.7719037532806396
+Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[C@H]3O)CC2)cc1,-1.1033836603164673
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCCOC1,-1.0757901668548584
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0537763833999634
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1,-1.2199732065200806
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1339635848999023
+Fc1ccc(N(Cc2ccc(Cl)cc2)c2ccccc2)cc1,-1.2077677249908447
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1,-1.26095449924469
+Cc1ccc(CNC(=O)c2ccc3c(C)noc3c2)cc1,-1.104988932609558
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N)cc2)C1,-1.3663839101791382
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.305096983909607
+O=C(c1ccc(F)cc1)N1CCN(CCN2CCOCC2)CC1,-1.4632387161254883
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0295442342758179
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1567612886428833
+O=C(Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1,-1.3328436613082886
+Oc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4870225191116333
+O=C(c1ccc(Br)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.0666757822036743
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)nc1,-1.2018635272979736
+O=C(Nc1cc(Cl)ccc1Cl)c1cccc(-c2ccccc2)c1,-0.9075335264205933
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8998730778694153
+C[C@H]1C[NH+](Cc2cccc(I)c2)CCN1Cc1ccccc1,-1.3804633617401123
+O=C(N[C@H]1CCN(c2ccccc2)CC1=O)C1CCCCC1,-1.3158334493637085
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(C)c1,-1.2133055925369263
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F,-1.0305843353271484
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4185841083526611
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3193992376327515
+CC(C)(O)C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1,-1.5969094038009644
+O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1,-0.9301886558532715
+CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0812329053878784
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCCC2)CC1,-1.4117048978805542
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.4507242441177368
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2752175331115723
+Cc1ccccc1NC(=O)C1CCN(c2ccc(Br)cc2)CC1,-0.9313103556632996
+Cn1cc(NC(=O)COc2ccccc2)c2cccnc21,-1.3675651550292969
+Cc1cc(NCc2ccc(Cl)cc2)nc(-c2ccccc2)n1,-0.9717260599136353
+O=C(CCc1ccc(Br)cc1)NCc1ccc(F)cc1F,-1.0365984439849854
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.025032639503479
+Cc1ccc(COc2ccc(N3CCN(C)CC3)cc2)cc1,-1.4312639236450195
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908130645751953
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9560391306877136
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1300630569458008
+[NH3+]C1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0271685123443604
+O=C(N[C@@H]1CCCN(c2ccccc2)CC1)c1ccc(F)cc1,-1.279352068901062
+CN1CCC(CNC(=O)c2ccc3c(c2)NCCN3C)C1,-0.979910671710968
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1330757141113281
+Cc1ccc(CNC(=O)c2ccn3nc(C)cc3c2)cc1,-1.123573899269104
+CN1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1751556396484375
+CC(C)(C)C(N)c1ccc(NC(=O)c2ccccc2)cc1,-1.3337738513946533
+O=C(c1ncccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9399119019508362
+O=C(c1ccc(Cl)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1,-0.2524513900279999
+C[C@H]1CN(C(=O)c2ccccc2)CC[NH+]1Cc1ccccc1Cl,-0.9995227456092834
+Nc1cccc(CNC(=O)Nc2ccccn2)c1,-1.623332142829895
+Cc1ccccc1NC(=O)C1CCN(c2cccc(F)c2)CC1,-0.9937518835067749
+Cc1ccc(NC(=O)N2CC[NH+](C3CC[NH2+]CC3)CC2)c(C)c1,-1.0275003910064697
+Fc1ccc(NCc2nnnn2-c2ccc(Cl)cc2)c(F)c1,-0.5357776880264282
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5311973094940186
+Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1F,-0.8387762904167175
+O=C([O-])c1cccc(NC(=O)N2CCC3(CCC3)C2)c1,-1.538057565689087
+O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0336153507232666
+O=C(NC[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(F)c(F)c1,-0.9545319676399231
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)cc1,-1.0626026391983032
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0706738233566284
+COc1cccnc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2,-1.269916296005249
+Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(N)c3)C2)s1,-1.0462324619293213
+CN(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1O,-1.571143388748169
+Nc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1F,-1.0216330289840698
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9616827964782715
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5411359071731567
+Cc1nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2o1,-1.0490878820419312
+O=C(CCCc1ccccc1)N[C@@H]1CCC[C@@H]1c1ccccc1,-1.5076764822006226
+C[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1,-1.6790233850479126
+O=C(NCc1ccc(Br)cc1)[C@H](O)CCc1ccccc1,-1.4782847166061401
+O=C(Nc1ccccc1F)c1ccc(F)cc1,-1.5138587951660156
+CC1CC(Cc2ccccc2)CN(Cc2ccc(Cl)cc2)C1,-1.2636504173278809
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCCCC2)C1,-0.9235050082206726
+C[C@H]1CCCCCN1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-0.9831364750862122
+Cc1ccc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc1,-0.9534362554550171
+O=C(Nc1ccc(Cl)cc1O)c1ccc(N2CCOCC2)cc1,-1.0770407915115356
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Br)cc2)CC1,-1.0132697820663452
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4738713502883911
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)ccc1F,-1.0377751588821411
+O=C(NCc1ccc(Br)cc1)NC1CCOCC1,-1.5681134462356567
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1365222930908203
+O=C(NCc1nc2ccccc2[nH]1)c1ccnc2ccccc12,-0.8167740106582642
+CCc1ccc(NC(=O)N2CC[C@H](CCCO)C2)cc1,-1.6239433288574219
+CS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1,-1.1170355081558228
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5603495836257935
+Cc1cc(NC(=O)c2cccc(Cl)c2)n(C2CCCC2)n1,-0.9530235528945923
+Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0790516138076782
+CC(C)(C)c1ccccc1C(=O)N[C@@H]1CC12CCCCC2,-1.1989492177963257
+O=C1CCc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21,-0.5864042639732361
+Cc1nc2ccc(C(=O)NCc3ccc(O)cc3)cc2[nH]1,-1.0627620220184326
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9848567247390747
+Cc1cc(C(=O)NC2CC[NH+](CCCC(C)C)CC2)ns1,-1.1377872228622437
+Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)cn1,-0.9340371489524841
+Cc1ccc(C(=O)NCCNc2ccccc2)s1,-1.6201707124710083
+Cc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2=O)cc1,-1.216751217842102
+Cc1ccc(C[NH+]2CC[C@@H](O)C[C@H]2Cc2ccccc2)cc1,-1.4979608058929443
+O=C(NCc1ccc(F)cc1O)c1ccc2c(c1)CCO2,-1.088009238243103
+CCOc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.6309106349945068
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n[nH]1,-1.1109472513198853
+COc1ccc(CNCCc2ccc(Cl)cc2)cc1,-1.6236274242401123
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.8922325372695923
+O=C(NCc1ccc(Br)c(O)c1)[C@H](CO)c1ccccc1,-1.2862794399261475
+CC(C)CCNC(=O)N1CCN(c2nc3ccccc3s2)CC1,-0.9123778343200684
+C[C@H]1CN(c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](C)CO1,-1.29131281375885
+CN1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.1997904777526855
+O=C(CC1CCCCC1)NCc1nc2ccc(Br)cc2[nH]1,-0.9376259446144104
+O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.893318235874176
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7854382395744324
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n1,-0.7272962331771851
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2170432806015015
+Nc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.085758924484253
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.2169971466064453
+CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC(CO)C(C)C,-1.1205521821975708
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.586977243423462
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0902347564697266
+CCOc1ccc(CNc2ccc(Cl)cc2C)cc1,-1.4471864700317383
+COc1ccc(OCc2cccc(S(C)(=O)=O)c2)cc1,-1.6226531267166138
+C[C@@H]1C[NH+](CC2CCOCC2)[C@H](Cc2ccc(F)cc2)CO1,-1.4738000631332397
+C[C@H]1CN(c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](C)CO1,-1.2867273092269897
+Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.2963863611221313
+CC(C)CC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1,-0.8877832293510437
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cn1,-1.2315768003463745
+NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1080597639083862
+Cc1ccc(N2CCN(C(=O)N3CCC(CO)CC3)CC2)cc1,-1.1309391260147095
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0105977058410645
+Nc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.129329800605774
+c1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)no2)cc1,-1.1992477178573608
+CN=C(O)CN1CCN(C(=O)Cc2ccc(OC)cc2)CC1,-1.473996877670288
+O=C(Nc1ccc(Br)cc1Br)N1CCC[C@@H](c2ccccc2)C1,-0.8069180250167847
+CC(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)C1,-1.1507025957107544
+O=C(NC[C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cn1,-1.4899107217788696
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cn1,-0.8504579663276672
+O=C(NCc1ccc(F)cc1)c1ccc2nc(Br)[nH]c2c1,-0.9046040773391724
+O=C(CCN1CCCC1=O)N[C@@H]1CCN(c2ccccc2)C1,-1.4830065965652466
+O=C(Cc1ccc(O)cc1)NCc1noc2ccccc12,-1.3470309972763062
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874370098114014
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.9049378037452698
+O=C(Cc1ccc(F)cc1)NC[C@@H](O)Cc1ccccc1,-1.5667823553085327
+CC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ncccc1Cl,-0.8722412586212158
+Cc1ccc(-c2ccc(NCc3ccccc3)cc2C)cc1,-1.326600193977356
+O=C(Nc1ccccc1)C1CCN(c2cc(F)ccc2F)CC1,-0.9861667156219482
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0353351831436157
+Cc1ccc(CNC(=O)CC(O)c2ccc(C)cc2)cc1,-1.5302979946136475
+COC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1,-1.6462700366973877
+C[C@@H]1C[NH+]([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)CCO1,-1.3296664953231812
+O=C(O)CN=C(O)COc1ccc(Oc2ccccc2)cc1,-1.5855547189712524
+Cc1ccccc1C(=O)N1CCN([C@@H]2CC[NH+](C3CC3)C2)CC1,-1.0245500802993774
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0206743478775024
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.5595165491104126
+c1ccc(-c2ccc(N3CCN(Cc4cccs4)CC3)cc2)cc1,-1.2754114866256714
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.9762236475944519
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F,-1.0349982976913452
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5719496011734009
+CC(=O)OCc1ccc(Cc2ccccc2)cc1,-1.6981884241104126
+O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9030543565750122
+O=CNCc1ccccn1,-1.9871927499771118
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.102790355682373
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.0743123292922974
+Fc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl,-1.1969817876815796
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.5862915515899658
+CCCCNC(=O)Nc1ccc(N2CCOCC2)cc1,-1.6224898099899292
+O=C(NCCCC1CCOCC1)N[C@H]1CCCC[C@H]1O,-1.620470404624939
+Cc1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.2218009233474731
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0708168745040894
+Cc1ncncc1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-0.8549070358276367
+C[NH+]1CCC[C@@H](NC(=O)c2ccc(CC(F)(F)F)cc2)C1,-1.1394076347351074
+O=C(CCc1cscn1)NCc1cccc(I)c1,-1.4696359634399414
+O=C(C[NH+]1CCO[C@@H](c2ccccc2)C1)Nc1ccc(Br)cc1,-1.4001706838607788
+CC(C)(C)c1ccc(NC(=O)CN2C(=O)c3ccccc32)cc1,-1.0146384239196777
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1F,-0.8149252533912659
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1354414224624634
+CC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](c3ccccc3)C2)C1,-1.2945001125335693
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(I)cc2)cc1,-0.8472431302070618
+N=C(O)COc1ccc(N2CCN(c3ccccc3)CC2)cc1,-1.5086957216262817
+C[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)O1,-1.5238687992095947
+Cc1cccc(N)c1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0769174098968506
+O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-c2ncco2)cc1,-1.0076361894607544
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352283596992493
+N=C(O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1,-1.3653059005737305
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cs1,-0.9291328191757202
+O=C(Cc1cccc(F)c1)N1CCC(Oc2ccccc2)CC1,-1.4577476978302002
+O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)C1CCCCC1,-0.9466865062713623
+O=C(Nc1ccc(Br)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.8884406089782715
+CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1,-1.0223833322525024
+CC(O)CC[C@H]1CCCN1C(=O)NCCC1CC1,-1.619102954864502
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3S)cc2)CC1,-1.1768975257873535
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2)C1=O,-1.1875180006027222
+CC(=O)CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-1.3024710416793823
+CCOc1cc(Br)ccc1NC(=O)c1cccs1,-1.4220913648605347
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1412768363952637
+Cc1c(F)cccc1NC(=O)C1CCCCN1C1CCOCC1,-0.9064213633537292
+Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)n[nH]1,-0.8581157922744751
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.294053077697754
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0035998821258545
+CCCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1,-1.3884609937667847
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.1756200790405273
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2ncsc2c1,-0.9447081089019775
+O=C(Cc1ccccc1)NCc1nc2ccc(O)cc2o1,-1.4493343830108643
+COc1ccc(OCCC(=O)N2CCc3ccccc3C2)cc1,-1.345009207725525
+O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)nc1,-0.8696960210800171
+CCC(O)=Nc1cc(OCCCOc2ccccc2)ccc1F,-1.486864686012268
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2725521326065063
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,-1.2037650346755981
+O=C(N1CCCCCC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1734272241592407
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-1.0099717378616333
+Cc1ccc(CNC2CCC(c3ccccc3)CC2)cc1F,-1.151684045791626
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1492785215377808
+Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)c1,-1.142181396484375
+O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(F)cc1,-1.2570946216583252
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2823512554168701
+O=C(C[NH+]1CCn2nccc2C1)NCc1ccc(Br)cc1,-1.1405376195907593
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1835353374481201
+Cc1ccc(COc2cc(F)ccc2-c2ccccc2)cc1,-1.450726866722107
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0175515413284302
+CC1(C)CC[C@@H](NC(=O)c2cc(C3CCCCC3)on2)C1,-1.339622974395752
+Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1Br,-1.0574631690979004
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138296365737915
+Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c([NH3+])c1,-1.275954008102417
+CC(C)(C)c1cc(C(=O)Nc2nc3ccccc3s2)no1,-0.9074433445930481
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0222246646881104
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)nc2)cc1,-0.8161934018135071
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1,-1.2264240980148315
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)cc1F,-0.8397635221481323
+Cc1ccc(C(=O)NC2CCN(C(=O)CCC[NH3+])CC2)cc1,-1.3403270244598389
+c1ccc(CN2CCC(c3noc(-c4ccccc4)n3)CC2)cc1,-1.2322444915771484
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6876726150512695
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.08452570438385
+O=C(Nc1cc(-c2ccccc2)on1)c1ccc2[nH]ccc2c1,-1.1625314950942993
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731165409088135
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764249682426453
+O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.519615888595581
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1685158014297485
+CN1CC[NH+](Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1,-1.45842444896698
+CC(C)(C)c1nc(CN2CCN(c3ccccc3)CC2)no1,-1.1741738319396973
+O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1,-1.5029971599578857
+Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.09979248046875
+O=C(NCc1ccccc1)c1cnc(C2CC2)[nH]1,-1.6317719221115112
+Cc1sccc1C(=O)N1C[C@@H]2CC[C@H]1C[NH+]2CC1CCOCC1,-0.7811614274978638
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4884402751922607
+O=C(N[C@H]1CCN(C(=O)C2=CCCCC2)C1)C1CCCC1,-1.3756282329559326
+O=C(N[C@H]1CCCC[C@H]1F)N1CCC(c2ccc(F)cc2)CC1,-0.8678314685821533
+O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](C(O)=NC2CC2)C1,-0.8936805725097656
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9761369228363037
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.4385231733322144
+O=S(=O)(CCc1ccccc1)NCc1ccc(F)cc1,-1.6088621616363525
+C[C@@H]1CN(C(=O)COc2ccccc2)CCN1c1ccccc1,-1.4274919033050537
+Cc1cc(Cl)ccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1,-1.1053526401519775
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125006914138794
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0675402879714966
+CCCC(=O)N1CCN(C(=O)c2ccc3c(c2)oc(=O)n3C)CC1,-0.7284481525421143
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.0632014274597168
+CN(c1ccc(C#N)cc1)c1ccc(Nc2ccccc2)cc1,-1.3051732778549194
+Cc1nc(NCc2ccc(I)cc2)cc(-c2ccccc2)n1,-0.8607218265533447
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.034803867340088
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1,-0.9415931701660156
+O=C(Nc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1,-1.4914109706878662
+O=C(c1ccc(Cl)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.3493534326553345
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9713540077209473
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.3935211896896362
+Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1,-1.3610438108444214
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1Br,-0.7959200143814087
+CC(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.4470959901809692
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-0.964896559715271
+O=C(Cc1nc2ccccc2o1)NCc1ccc(F)cc1,-1.3287967443466187
+C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Cl)cc2)C[C@H](C)O1,-1.3822835683822632
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.513583779335022
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4453283548355103
+Cc1cccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)c1,-1.028895378112793
+O=C(NC1CC12CCCCC2)c1ccc(N2CCOCC2)cc1,-1.3686667680740356
+C[C@@H]([C@H](O)CNC(=O)C1CCCCC1)n1cnc2ccccc21,-1.1325910091400146
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.9500212073326111
+O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)N1CCC2(CC2)C1,-1.4862219095230103
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.96171635389328
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-1.0494589805603027
+Cc1ccc(Br)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-0.9955182075500488
+Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1C,-1.2020262479782104
+O=CNCc1ccccc1,-2.014540195465088
+CN(Cc1nc(-c2ccc(I)cc2)no1)c1ccc(F)cc1,-0.9181382060050964
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,-0.8905367851257324
+CC1(C)CN(C(=O)C2CCCC2)CCO1,-1.7487729787826538
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(I)cc1,-1.1768450736999512
+O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC12CCOCC2,-1.3473807573318481
+Cc1nnc(CN2CCN(C(=O)CC3CCSc4ccccc43)CC2)o1,-0.6396430134773254
+Cn1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)n1,-0.7958047986030579
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3F)C2)cn1,-1.032304286956787
+C[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)[C@@H](C)O1,-0.7835314273834229
+Cc1nc(-c2ccccc2CNC(=O)CCC(C)C)no1,-1.2179930210113525
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565171241760254
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571027755737305
+O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.208031177520752
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3686985969543457
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604636907577515
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.120011806488037
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1,-0.9553432464599609
+CC(C)[C@H](O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5334575176239014
+CC1(C)CN(c2ccc(CNC3CCOCC3)cc2)CCO1,-1.541039228439331
+Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2)cc1,-1.030767560005188
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1F,-0.9769545197486877
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cn1,-0.9956623315811157
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8871034979820251
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2003768682479858
+Cc1ccc(CN2CCN(C(=O)C3CCCc4ccccc43)CC2)cc1,-0.9159126877784729
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.014511227607727
+Cc1ccc(C2CCN(C(=O)c3ccc(F)cc3)CC2(C)C)cc1,-0.8126113414764404
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9902448058128357
+O=C(NC1CCN(c2ccccc2)CC1)c1cc(Br)ccc1F,-0.9673040509223938
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.121328353881836
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140261888504028
+C[NH+]1CCN(c2ccc(C(=O)N3CCCC4(CCCCC4)C3)cc2)CC1,-1.143404245376587
+Cc1cc(C(=O)NCC2CC3(CCCCC3)C2)ccc1O,-1.403342843055725
+CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.215957760810852
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2s1,-0.7708700895309448
+C[C@H]1CCCC[C@H]1C(=O)NC1CCC(c2cccc(Cl)c2)CC1,-0.8602659702301025
+O=C(NC[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cn1,-1.3988494873046875
+O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1,-1.0212746858596802
+CCc1ccc(C(=O)NCc2ccc(Br)cc2)[nH]1,-1.5336792469024658
+CCc1ccc(NC(=O)N2CCOC3(CCC[NH2+]CC3)C2)cc1,-1.51497483253479
+O=C(Cc1ccc(F)cc1Br)Nc1ccc(-c2nn[n-]n2)cc1,-0.7140259742736816
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1,-0.949131965637207
+CC(C)C(=O)NCC(=O)OCc1ccccc1,-1.7178831100463867
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464831590652466
+O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccccc2)CC1,-1.405347228050232
+CC(NC(=O)c1ccc(Cl)cc1F)c1cccc2ccccc12,-0.6696600914001465
+Fc1ccc(C[NH+]2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3810311555862427
+O=C(N[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1C[C@@H]2CCCC[NH+]2C1,-1.207527756690979
+O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4828364849090576
+Cc1ccc(CNC(=O)c2ccc3cc(C)[nH]c3c2)cc1,-1.302039623260498
+COc1ccc(C(=O)NCS(=O)(=O)C2CCCCC2)cc1,-1.5354639291763306
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N)c1,-1.0594552755355835
+O=C(Cc1ccc(F)cc1)N1CCC[C@@H](Cc2ccccc2)C1,-1.3685600757598877
+Cc1cc(N)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0514891147613525
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1971156597137451
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0673632621765137
+O=C(Nc1cc(O)ccc1Cl)c1ccc(N2CCOCC2)nc1,-1.084721326828003
+COc1ccc(CNC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.622320294380188
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1882599592208862
+C[C@H]1CCC[C@H]([NH+]2CCCN(C(=O)OC(C)(C)C)CC2)C1,-1.4487757682800293
+NC(=O)c1ccn(-c2cccc(F)c2)n1,-1.5153826475143433
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3062596321105957
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1385064125061035
+Cc1cccnc1C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1,-1.011128544807434
+Cc1ccc(-c2ccc(CCC(=O)NCC(F)(F)F)cc2)cc1,-1.134277105331421
+Cc1nc(C[NH+]2CCOC3(CCN(c4ccc(F)cc4)CC3)C2)cs1,-1.0635178089141846
+Nc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.0627942085266113
+O=C(Nc1ccc(I)cc1)N1CCC[C@@H](CC(F)(F)F)C1,-0.8975302577018738
+Cc1cccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)c1,-0.5300217866897583
+Oc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.3206822872161865
+C[C@@H](Cc1ccc(Br)cc1Cl)NC(=O)Cc1ccccc1,-1.1183525323867798
+Cc1cc(Br)ccc1NC(=O)C1CC[NH+](C2CCCCC2)CC1,-0.8535325527191162
+CC(=O)c1ccc(NC(=O)Cc2ccc(O)cc2)cc1,-1.5550538301467896
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.2174080610275269
+O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc12,-0.9318452477455139
+Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.377017617225647
+Cc1ccc([C@@H]2CCC[C@H]2C(=O)Nc2cnn(C)c2)cc1,-1.2564597129821777
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.030853509902954
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706628561019897
+CC(C)(O)CCNC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1,-1.4101715087890625
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)n[nH]1,-0.86615389585495
+O=C1Cc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2N1,-1.0113922357559204
+Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1,-1.0357156991958618
+Cc1cccc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2)c1C,-1.1230565309524536
+CC(=O)N1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1,-1.1891952753067017
+CCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9584939479827881
+Cc1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1F,-1.0775117874145508
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.528085708618164
+Cc1cc(NCc2ccccc2)nc(-c2ccc(F)cc2)n1,-1.1371986865997314
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5153679847717285
+CC[C@H](C)C(=O)N1CCC(NC(=O)c2sc(C)nc2C)CC1,-0.603255033493042
+Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Cl)c1,-1.0723861455917358
+Cn1ccc(NC(=O)c2csc(-c3ccc(Br)cc3)n2)n1,-0.8157377243041992
+C[C@H](CNC(=O)c1ccnc2cc(F)ccc12)[NH+]1CCOCC1,-0.981525182723999
+O=C(Nc1ccccc1F)N1CCC(c2ccc(O)cc2)CC1,-1.069655179977417
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5954456329345703
+Cc1ccccc1NCc1cn(C)nc1-c1ccc(Cl)cc1,-0.8765277862548828
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc1,-1.0131338834762573
+[NH3+][C@H]1C[C@@H](NC(=O)c2cccs2)C[C@H]1c1cccc(F)c1,-1.0593074560165405
+CN1CCC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.3428446054458618
+O=C(Cc1ccccc1Br)NCc1ccc2c(c1)CCO2,-1.2035409212112427
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4328819513320923
+CC1(C)CN(C(=O)NC[C@H](O)c2ccc(Br)cc2)CCO1,-1.4417755603790283
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2184109687805176
+c1ccc(C2CCCCN2Cc2ccc(-c3nn[nH]n3)cc2)cc1,-0.981052815914154
+Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ncccc12,-0.47349312901496887
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8894560933113098
+Fc1ccc(N2CCC(OCc3ccc(Br)cc3)CC2)cc1,-1.1723915338516235
+CC[NH+]1CCC(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1,-0.974769115447998
+N#Cc1ccc(NC(=O)CCc2ccc(Br)cc2)cc1,-1.4322181940078735
+CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.0077133178710938
+Cc1ccccc1C1(NC(=O)[C@@H]2CCC[NH+](C)C2)CCCCC1,-1.2186955213546753
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.119659185409546
+C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1,-1.5240479707717896
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.095240592956543
+O=C(Nc1ccc(O)cc1)C(=O)Nc1cccc(F)c1,-1.5367482900619507
+O=C(Nc1ccc(F)c(F)c1)c1ccn(C2CCCC2)n1,-0.9430230259895325
+Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.2056679725646973
+CCN1CCN(Cc2ccc(OC(C)C)cc2)CC1,-1.6100062131881714
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1,-1.1357746124267578
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9126049876213074
+Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(Br)cc2)cc1,-0.9917035102844238
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.3874953985214233
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.232039451599121
+Cc1cc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)ccc1F,-0.887660562992096
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3862636089324951
+Cc1ccc(-c2cc(C)nc(NCc3ccccc3)n2)cc1,-1.057555079460144
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531241774559021
+NS(=O)(=O)Nc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1,-1.1909891366958618
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nc2)cc1,-0.9974995255470276
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.456782341003418
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2146471738815308
+Cc1ccc(C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1,-1.1479179859161377
+Cc1ccc(C(=O)NC[C@@H]2CCOC3(CCCC3)O2)cc1,-1.5889838933944702
+Cc1cn(C)cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1,-0.9991966485977173
+C[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCOC3(CCCC3)C2)C1,-1.5487159490585327
+CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCO3)CC1,-1.1164422035217285
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)c1,-0.8070762753486633
+Cc1ccc(N2CCN(C(=O)c3ccc4nc(O)ccc4c3)CC2)cc1,-0.6296861171722412
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-0.9043043851852417
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1,-1.0312358140945435
+C[C@@H]1C[NH2+]CCN1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9917795062065125
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3787039518356323
+C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3017350435256958
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,-0.8287335634231567
+O=C(NC1CCCCC1)[C@H]1CCCN1c1nc2ccccc2s1,-0.8511590361595154
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.220436930656433
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)[nH]1,-1.1166179180145264
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9420083165168762
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.690759539604187
+c1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1,-1.145136833190918
+Cc1cccc(NC(=O)NCc2ccccc2)n1,-1.6450022459030151
+O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)ns1,-0.7043179869651794
+CC1(F)CCN(C(=O)Nc2cc(-c3ccccc3)ns2)C1,-1.1042453050613403
+CC(CCc1ccc(F)cc1)NC(=O)c1ccc(I)cc1,-1.1269561052322388
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1550127267837524
+O=C(NCC(O)=NCCc1ccccc1)c1ccc(O)cc1,-1.53682279586792
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cs1,-1.0136057138442993
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0859670639038086
+Fc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1,-1.3534557819366455
+CC1CCN(C(=O)C(=O)NCc2cccc(F)c2)CC1,-1.4074013233184814
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1C,-0.5594639182090759
+O=C(Nc1ccccc1Br)C1CCN(c2ccc(F)cc2)CC1,-0.9681028723716736
+C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H](C)O1,-1.3826481103897095
+CC(N)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O,-1.5607624053955078
+O=C(N[C@H]1C[C@@H](c2ccccc2)[C@@]12CCOC2)c1ccccc1,-1.4615097045898438
+O=C(NCc1ccccc1)N1CCC[C@@H](CCCO)C1,-1.6202645301818848
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cn2)cc1,-1.3092290163040161
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.137229084968567
+C[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9530070424079895
+Cn1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1749035120010376
+Cc1ccc(C[NH+]2CCC(C[NH+]3CCC(O)CC3)CC2)cc1,-1.4934427738189697
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.8743362426757812
+CC(C)(C)NC(=O)N1CCN(c2ccc(F)cc2F)CC1,-0.8518156409263611
+Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)no1,-0.7525065541267395
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9696046710014343
+Cc1ccccc1[C@H](C)CC(=O)NC[C@H](O)Cc1ccccc1,-1.4821208715438843
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.432961106300354
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.5174343585968018
+O=C(Nc1ccccc1Cl)C1CCN(c2ccc(F)cc2)CC1,-0.8790456056594849
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1O,-0.9373311400413513
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Cl)c[nH]1,-1.1017853021621704
+Cc1nc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)ccc2o1,-1.1135331392288208
+Cc1ccc(N2CCC(NCc3ccc(O)cc3)CC2)cc1,-1.3487123250961304
+O=C(NC1CCCCC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O,-1.0237001180648804
+O=CNc1ccnn1-c1ccccc1,-1.7867686748504639
+COc1ccc(Br)cc1NC(=O)Cc1cc(F)ccc1F,-0.8283311724662781
+O=C1C[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CCN1,-1.382501482963562
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6276646852493286
+C[NH+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1,-1.3314613103866577
+O=C(NCc1cc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1,-0.8838376998901367
+CCC(CC)C(=O)NC1CCN(Cc2ccc(Cl)cc2)C1,-1.2429250478744507
+O=C1C[C@H](NCc2ccccc2)CN1c1ccc(F)cc1,-1.3819118738174438
+COc1ccc(C(=O)NCc2ccc(Br)o2)cc1,-1.578896164894104
+Cc1ccc(CCCC(=O)NCc2ccc(Br)cc2)cc1,-1.5044560432434082
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.195160150527954
+C[C@H](C(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1,-1.590947151184082
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1CC1CCCCC1,-1.248305320739746
+O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-0.9954657554626465
+CN1CCN(c2ccc(OCc3ccccc3)cc2)C1=O,-1.4465644359588623
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2947686910629272
+Cc1ccc(C(=O)NC2CCCCC2C)cc1,-1.5922596454620361
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.070009708404541
+c1ccccc1,-2.216959238052368
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.427337646484375
+Cc1ccc(NC(=O)C2CCN(c3ccccc3C)CC2)cc1,-1.11226224899292
+NC(=O)C1CCN(C(=O)N[C@H]2CCc3ccccc3C2)CC1,-0.9990233778953552
+COC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)C1,-1.6046000719070435
+Cc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1,-1.4718602895736694
+C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1,-0.956911027431488
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0139719247817993
+CC(=O)N1CCC(NC(=O)c2ccc(C)c(Br)c2)CC1,-0.9418596029281616
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2775591611862183
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CCCCC1,-1.0350966453552246
+O=C(c1ccc(F)cc1F)N1CC[NH+](CC2CCCCC2)CC1,-0.9302188158035278
+CCCC(NC(=O)C1CCOCC1)C(=O)N1CCC[C@H](C)C1,-1.3577193021774292
+O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8094446063041687
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934159517288208
+CC1([NH2+]CC2CCCCC2)CCN(c2ccc(F)cc2)CC1,-1.3689196109771729
+Cc1ccccc1NC(=O)c1ccc(N2CCC(O)CC2)cc1,-1.1689802408218384
+Cc1ccccc1C(=O)N1CCC(Nc2ccc(Cl)cc2)CC1,-0.9851405620574951
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368080139160156
+O=C(c1ccc(F)cc1O)N1CCN(Cc2ccccn2)CC1,-1.0294439792633057
+Cc1nc(-c2ccc(NC(=O)Cc3cccs3)cc2)no1,-1.313596487045288
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9180576205253601
+O=C(NCc1ccc(Br)cc1)N1CCC2(CCOCC2)C1,-1.4632869958877563
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6108790636062622
+CCC1CCN(C(=O)Nc2ccccc2S(C)(=O)=O)CC1,-1.368499994277954
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199501514434814
+O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1,-1.1540584564208984
+Cc1ccccc1C(=O)N1CCC[C@H](Oc2ccc(F)cc2)C1,-1.139960765838623
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4571067094802856
+Cc1ncc(CCNC(=O)Nc2ccccc2)s1,-1.5944843292236328
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.5329430103302002
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5594773292541504
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.183219075202942
+O=C(NCC1CCOCC1)Nc1ccc(Cl)cc1,-1.6120651960372925
+O=C(NC[C@H]1CCOC2(CCCC2)C1)c1ccc(F)nc1,-1.4999974966049194
+[NH3+]C1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.129692554473877
+CS(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1,-1.550605058670044
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1358870267868042
+C[C@H]1CNCC[NH+]1CC(=O)Nc1ccc(-c2ccccc2)cc1,-1.3370057344436646
+CS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccsc2)C1,-1.5483516454696655
+O=C(C[NH+]1CCC([NH+]2CCSCC2)CC1)Nc1cccc(F)c1,-1.1754437685012817
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.0036977529525757
+Cc1cc(Cl)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-0.9846028089523315
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2392691373825073
+O=C(NCc1cc2ccccc2[nH]1)N1CC[NH+]2CCCC[C@H]2C1,-1.0257415771484375
+Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0327427387237549
+CC[C@]1(O)CCN(C(=O)NCc2ccccc2)C1,-1.6966139078140259
+O=C(Nc1ccc(I)cc1)[C@H]1CCN(c2ccccc2)C1=O,-1.0263060331344604
+CCOc1ccc(NC(=O)C(C)(C)C(C)(C)O)cc1,-1.6073259115219116
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1C1CCCC1,-1.227756381034851
+O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2o1,-1.1816006898880005
+C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.3281952142715454
+CCN(CCN1Cc2ccccc21)C(=O)c1ccc(F)cc1,-1.0780787467956543
+CC(C)Cc1cccc(NC(=O)N2CCOC(C)(C)C2)c1,-1.5904351472854614
+COc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-1.1604827642440796
+C[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1O,-1.4397414922714233
+Cc1ccc(Cc2noc([C@H](C)Cc3ccccc3)n2)cc1,-1.3509584665298462
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)nc1F,-0.7679811120033264
+O=C(Nc1ccc(-c2ccccc2)cc1O)c1ccc(Cl)cc1,-1.1775437593460083
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(F)c1,-1.0985205173492432
+Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1826828718185425
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.184573769569397
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0482585430145264
+Cc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1,-1.2251535654067993
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccsc2)CC1,-1.4334858655929565
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1016441583633423
+Cc1ccc(CN2CCN(C(=O)c3ccccc3I)CC2)cc1,-1.0737465620040894
+Nc1ccc(N2CCN(C(=O)c3ccc4nc(O)ccc4c3)CC2)cc1,-0.6090637445449829
+Cc1nn(C)cc1C(=O)N1CCCN(Cc2ccccc2)CC1,-1.0555518865585327
+CCc1ccc(C)c(NC(=O)Cc2ccc(F)c(O)c2)c1,-1.2064605951309204
+O=C1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.4621796607971191
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3468050956726074
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2766960859298706
+Cc1cccnc1NC(=O)Cc1ccc(-c2ccccc2)cc1,-1.251926302909851
+CC(C)CC[NH+]1CC[C@@H](C(=O)Nc2ccc3cncnc3c2)C1,-0.9277619123458862
+CC(C)(F)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5357069969177246
+O=C([O-])N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9185503721237183
+Cc1ccccc1CC(=O)NC1CCN(c2ccccc2)CC1,-1.3485450744628906
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4782015085220337
+Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)oc2c1,-1.121376872062683
+Cn1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1,-1.0025500059127808
+CCC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)nn2)CC1,-0.7572286128997803
+C[C@H]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3)CC2)C1,-1.297562837600708
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.6675081253051758
+CCCC(C)(C)C(=O)N(C)c1ccc(NC(C)=O)cc1,-1.384511113166809
+O=C(CNCc1ccccc1)Nc1ccccc1,-1.7313628196716309
+Cc1ccc(C(=O)N[C@@H]2CC[C@@H]2c2ccc(Cl)cc2)cn1,-0.9404290318489075
+N=C(O)[C@H]1CCCN(Cc2ccc(OC(=O)O)cc2)C1,-1.5551198720932007
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-1.0627260208129883
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.2312430143356323
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1325325965881348
+CC(C)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1,-0.9874033331871033
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5576235055923462
+CC(C)C(C)C(=O)c1ccc(OCC2CCCCC2)cc1,-1.5372989177703857
+C[NH+]1CC[C@@]2(CCN(C(=O)NCc3ccccc3F)C2)C1,-1.3208245038986206
+Cc1ccc(NCc2ccc(I)cc2)c(-c2ccccc2)c1,-1.1071743965148926
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC(=O)C2)cc1,-1.3220518827438354
+O=C(Nc1ccc(F)cc1O)N1CCO[C@@H](c2ccccc2)C1,-1.2127304077148438
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1,-0.8860712051391602
+Cc1ccc(CNC(=O)c2nn(C)c3ccccc23)cn1,-0.9346073269844055
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.0863555669784546
+CC(C)(C)C(=O)NCc1ccc(N2CCCC2=O)cc1,-1.321508765220642
+O=C(c1ccccc1)N1CC[NH+](Cc2cc(Cl)ccc2F)CC1,-0.9673529267311096
+C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2)CCS1,-1.0468873977661133
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8815098404884338
+Cc1cc(NC(=O)C(=O)N2CCc3ccc(F)cc32)ccc1F,-0.6379159688949585
+CC(C)CCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,-0.8813769221305847
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.6815987825393677
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.2977862358093262
+Cc1cnc(NCc2nc3ccccc3o2)nc1-c1ccccc1,-0.9031124114990234
+Cc1ncc(CNC(=O)COC2CCCCC2)o1,-1.6711100339889526
+CC1(C)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.501538634300232
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.139203667640686
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9033021926879883
+Cc1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1,-1.4771767854690552
+C[C@H]1C[NH+](C)CCN1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.049464225769043
+O=C(CCc1ccccc1)N1CCN(Cc2cccnc2)CC1,-1.5029350519180298
+c1ccc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2530852556228638
+[NH3+][C@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1ccccc1,-1.1182814836502075
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5273371934890747
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.319632887840271
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)[nH]1,-0.9263111352920532
+Cc1noc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)n1,-1.1001334190368652
+Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1,-1.1713052988052368
+Cc1cccc(CN2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3729373216629028
+CCc1cccc(CS(=O)(=O)Nc2ccc(Br)cc2)c1,-1.4702214002609253
+Nc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.1479244232177734
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0959028005599976
+O=C(N[C@@H]1C[C@@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1,-0.9030739068984985
+Fc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1,-0.8814085125923157
+O=C1CCc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc21,-0.5860435962677002
+C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1,-1.1822917461395264
+CC1(C)Cc2cc(CC(=O)Nc3cccc(F)c3)ccc2O1,-1.2500479221343994
+CC1CCC(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)CC1,-1.2500848770141602
+O=C(Cc1ccc(F)c2ccccc12)N1CCN(c2ccccc2)CC1,-0.7772219181060791
+CCCCc1ccc(C(=O)NCC2CCCCC2)cc1,-1.5951164960861206
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C)C2)cc1,-1.3918756246566772
+CCOc1ccc(NC(=O)C[NH+]2CCCC2)cc1,-1.7361682653427124
+CN(C)c1ccc(C(=O)NCC2CCCC2)cc1,-1.5922133922576904
+O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1,-1.0103439092636108
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.0630137920379639
+Cc1cccc(C(=O)NC2CCN(CC(=O)O)CC2)c1,-1.5442609786987305
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.052049160003662
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2620575428009033
+Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.3947378396987915
+O=C(NC[C@@H]1CCCCO1)N[C@@H]1CC12CCCC2,-1.676612377166748
+CC1(C)CC(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1,-1.4725626707077026
+C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CC[C@@H]1c1ccc(F)cc1,-0.48093608021736145
+C[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.352557897567749
+C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1,-0.6449843049049377
+C[C@H]1C[NH+](Cc2ccc(Cc3ccccc3)cc2)CCN1C,-1.4249697923660278
+O=C(Nc1ccc(O)nc1)Nc1ccc2c(c1)OCCO2,-1.3978207111358643
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)C1,-0.9779798984527588
+C[C@@H](O)CNC(=O)N1CCN(c2ccc(Cl)c(F)c2)CC1,-1.0172851085662842
+O=C(Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4445494413375854
+CC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1,-1.3085269927978516
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.1487191915512085
+c1ccc(C2CCN(Cc3nccn3-c3ccccc3)CC2)cc1,-1.2209306955337524
+Cn1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0581047534942627
+N#Cc1ccc(C(=O)CC(=O)NCc2ccccc2)cc1,-1.559548258781433
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)cn3)cc2)CC1,-0.9837984442710876
+CC(c1ccc(NC(=O)N2CCOCC2)cc1)C(F)(F)F,-1.1970592737197876
+CN(C(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1Cl,-0.8934824466705322
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0438839197158813
+Cc1cccc(C(O)=NN=C(O)COc2ccc(C(=O)O)cc2)c1,-1.3111590147018433
+O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1,-1.0549968481063843
+O=C(Nc1ccc([18F])cc1Cl)N1CCN(c2ccccc2)CC1,-0.8965975642204285
+Cc1cc(Cl)cc(C)c1NC(=O)N1CC[NH+](C(C)C)CC1,-0.6717828512191772
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.141908049583435
+CC1(C)CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1,-1.3094768524169922
+CCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9329085350036621
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.9202446341514587
+Cc1csc(CNCCc2cccc(Cl)c2)c1,-1.616852045059204
+O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2o1,-1.446882724761963
+O=C(Cc1cccs1)N[C@H]1CCN(c2ccc(Br)cc2)C1,-1.2242690324783325
+Fc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1,-1.1998252868652344
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1O,-1.115938425064087
+CC[C@H](O)CNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1,-1.0459543466567993
+C[C@H](CC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(F)cc1,-1.3213837146759033
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-0.9399749040603638
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)nc1,-1.2738109827041626
+Oc1ccc(CN2CC[NH2+]C[C@H]2Cc2ccc(F)cc2)cc1,-1.4476878643035889
+O=C(NCc1ccccc1)N1CCC[C@@H]1C1CC1,-1.6069024801254272
+CC1CCC(C)N(C(=O)N2CCN(Cc3ccccc3)CC2)C1,-1.1297612190246582
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0497843027114868
+Fc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.1555919647216797
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1O,-1.155819296836853
+Cc1cc(CCCO)ccc1C(=O)N1CCO[C@@H](C(C)(C)C)C1,-1.1346956491470337
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2018039226531982
+O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2o1,-1.0675386190414429
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.066239356994629
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1869868040084839
+CC1CCCN(C(=O)N2CCN(C(=O)c3cccs3)CC2)C1,-1.015245795249939
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.9941474199295044
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0160167217254639
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1,-1.2042773962020874
+Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1,-1.237044095993042
+O=C(N[C@H]1CC12CCC2)c1csc(-c2ccc(Cl)cc2)n1,-0.8540396690368652
+CC1(O)CCCC(NC2CCN(Cc3ccccc3)CC2)C1,-1.5802003145217896
+O=C(Nc1ccccc1Br)N1CCC(c2ccc(F)cc2)CC1,-0.863776683807373
+CCc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1,-1.423478126525879
+CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.1370772123336792
+Nc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.3180850744247437
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1O,-1.304084062576294
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3196316957473755
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.166566252708435
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0128570795059204
+CCCOC1CCN(C(=O)c2ccc(OC)cc2)CC1,-1.5689525604248047
+O=C(C1CCCCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2054996490478516
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(O)cc1,-1.3142342567443848
+Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)s1,-1.0890605449676514
+CC(=O)Nc1ccccc1NCC1CCCCC1,-1.6795122623443604
+O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.9681471586227417
+C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccc(F)cc3)C2)C1,-0.9643248319625854
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0888310670852661
+Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.4699686765670776
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-0.9505584836006165
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cccc(O)c1F,-1.023289442062378
+CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(S)cc2)CC1,-1.1488251686096191
+CC(=O)Nc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,-1.4263969659805298
+Cc1ccc(O)cc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1589406728744507
+CC(C)[C@H]1CC(C(=O)N2CCN(c3ccccc3)CC2)CCO1,-1.17808997631073
+C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1,-1.043763518333435
+C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3649057149887085
+COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-1.096782922744751
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1176581382751465
+O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1,-1.0908050537109375
+Cc1ccc(C(=O)COC(=O)c2ccc(N)cc2)cc1,-1.5123481750488281
+O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.505710244178772
+Nc1ccc(C(=O)N[C@H]2CCC[NH+](C3CCCCC3)CC2)cc1,-1.2119702100753784
+COCC[C@H]1CCCCN1C(=O)Nc1ccccc1F,-1.4777103662490845
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9371415972709656
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0937042236328125
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.979389488697052
+O=C(NC[C@@H]1CC12CCCC2)c1ccc2c(c1)CC[NH2+]C2,-1.1804178953170776
+O=C(Nc1ccccc1F)C1CCN(c2ccc(F)cc2)CC1,-0.9457586407661438
+O=C(C[NH+]1CCc2sc(Cl)cc2C1)NCc1ccccc1,-1.1961411237716675
+C[NH+]1CCN(c2ccccc2NCc2ccc(O)cc2)CC1,-1.3459898233413696
+C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1,-1.424462914466858
+CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.0851320028305054
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.028708577156067
+Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)on2)n[nH]1,-1.0018671751022339
+C[C@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0310251712799072
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2526246309280396
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-0.9603913426399231
+O=C(NC1CC(CC2CC2)C1)[C@@H]1CCCC[NH2+]C1,-1.6126599311828613
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.0640519857406616
+c1ccc(N2CC[NH+](Cc3ccccc3-c3nn[n-]n3)CC2)cc1,-1.1423031091690063
+Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1,-1.0486211776733398
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1253697872161865
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.666209101676941
+C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.1603199243545532
+O=C(c1ccc2ccccc2c1)N1CC[NH+](CC2COc3ccccc32)CC1,-0.7534955739974976
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1941884756088257
+COc1ccc(C(=O)NC2CCC(S(C)(=O)=O)CC2)cc1,-1.4562968015670776
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)ns1,-0.5705816149711609
+Cc1nc2ccc(C(=O)NCC3CCC(C)CC3)cc2[nH]1,-0.9175341129302979
+c1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.3542368412017822
+O=C(N[C@H]1CC=CCC1)N1CCN(c2ccc(F)cc2)CC1,-1.2622919082641602
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0275171995162964
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9649695158004761
+C[C@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4908703565597534
+O=C(N[C@H]1CC[C@@H](F)C1)[C@@H]1CCN(c2ccc(Cl)cc2)C1,-0.9584906697273254
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.131404161453247
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2n1,-0.5273687839508057
+O=C1CCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)N1,-1.1514956951141357
+O=C(C1CCOc2ccccc21)N1CCN(Cc2cccc(Br)c2)CC1,-0.7919086813926697
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.1193400621414185
+CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1,-1.311914324760437
+O=C(c1cc2ccccc2o1)N1CCC[C@H](Cc2cccs2)C1,-1.2758766412734985
+Cc1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)ncc3C2)cc1,-0.39714014530181885
+CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.001360297203064
+O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)c1ccc2ncsc2c1,-0.8688353896141052
+O=C(Nc1ccc(F)cc1N1CCCC1=O)c1ccccc1,-1.236344575881958
+COc1cc(C)ccc1-c1ccccc1,-1.714279055595398
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1,-0.7102081775665283
+NC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1,-1.369447946548462
+O=C(NC[C@@H](O)Cc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1,-1.315015196800232
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.038378119468689
+C[NH+]1CCC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)C1,-1.230594515800476
+C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2814455032348633
+Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3)CC2)cc1,-1.33708918094635
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0026605129241943
+Cc1cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F,-0.7887002825737
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203925371170044
+O=C(C[NH+]1CC[NH+]2CCC[C@H]2C1)NCc1ccc(Cl)cc1,-1.2456378936767578
+Cc1nc2ccc(C(=O)NCc3cccc(O)c3)cc2[nH]1,-1.1779003143310547
+CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.1441463232040405
+Cc1cccc(F)c1NC[C@H]1CCCN(c2ccccc2)C1,-1.2207081317901611
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.485975742340088
+O=C(NCc1cccc(Br)c1)c1cc2ccc(F)cc2[nH]1,-0.9384250044822693
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1,-0.8213468790054321
+O=C(Nc1ccccn1)C1CCN(c2ccc(F)cc2F)CC1,-0.9671463370323181
+Cc1cc(Br)ccc1OCc1noc(-c2ccc(F)cc2)n1,-0.9556750655174255
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1023344993591309
+C[NH+]1CCC[C@@H](C[NH2+][C@H]2CCCN2c2ccc(Cl)cc2Cl)C1,-0.8011708855628967
+CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1,-1.533430814743042
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)nc1,-1.1123261451721191
+CC1(O)CN(C(=O)Nc2ccccc2C(C)(C)C)C1,-1.5352425575256348
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cn1,-1.2160718441009521
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.5718953609466553
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.4872281551361084
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.1052989959716797
+O=C(NCc1ccc(F)nc1)c1ccc2c(c1)OCCO2,-1.2070250511169434
+Cc1ccc(C)c(N2CCC(NCc3ccccc3)CC2)c1,-1.264301061630249
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.1350064277648926
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cn1,-0.9980565905570984
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.09785795211792
+O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8992041945457458
+O=C(Cc1ccc(F)cc1)NCC(=O)c1ccccc1,-1.5689247846603394
+C[C@H]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1382255554199219
+O=C(CCN=C(O)Cc1ccccc1)NCc1ccccc1,-1.6014699935913086
+CN=C(O)c1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-0.7926316857337952
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2418824434280396
+CCCCC(=O)N1CCC[C@H](NC(=O)Cc2ccccc2)C1,-1.5840755701065063
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cs3)C2)cc1,-1.1507854461669922
+Cc1cccc(CC(=O)NC[C@@H](O)Cc2ccccc2)c1,-1.5910934209823608
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3632816076278687
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.28377366065979
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)n1,-0.8936885595321655
+Cc1ncc2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)ccc2n1,-0.5250807404518127
+O=C1Cc2cc(CNC(=O)c3ccccc3)ccc2N1,-1.4489576816558838
+O=C(N[C@H]1CCO[C@H]1c1ccccc1)C1CC(C2CC2)C1,-1.3127995729446411
+[NH3+]C1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-0.9825631976127625
+Cc1ccc(CN(C)C(=O)N[C@H]2CCOC2)cc1,-1.6437209844589233
+Oc1ccccc1Cn1nc2c(n1)C[NH+](Cc1ccccc1)CC2,-0.920292317867279
+CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.541304111480713
+Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)n[nH]1,-0.9930688738822937
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.1744370460510254
+C[C@@H]1CN(C(=O)c2ncccc2O)CC[NH+]1Cc1ccccc1,-1.0767465829849243
+O=C1CCCN1c1ccc(Cl)cc1,-1.6964576244354248
+CC[C@@H](O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.331743836402893
+C[C@H](O)C(C)(C)NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.3990269899368286
+CC(C)(C)CC(=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1,-1.0220168828964233
+O=C(Nc1ccc(-c2ccc([O-])cc2)cc1)N1CCC(O)CC1,-1.2486648559570312
+Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-1.078819990158081
+CN(Cc1ccccc1)C(=O)C1=CC(S(N)(=O)=O)=C1,-1.5718994140625
+Cc1cc(N)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0520291328430176
+CC[C@@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.251733422279358
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.266376256942749
+CC1(C)CCCC(NCc2ccc(-c3ccccc3)cc2)C1,-1.4918577671051025
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8794475793838501
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1,-1.0623501539230347
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.253194808959961
+Clc1ccc(N2CCN(Cc3noc(C4CC4)n3)CC2)cc1,-0.8836239576339722
+Cc1ccc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1,-1.4578336477279663
+Nc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3072433471679688
+Cn1ccc([C@H]2CCN(C(=O)Nc3ccc(Cl)cc3)C2)n1,-1.0144908428192139
+O=C1C(O)CCN1c1ccccc1,-1.7953102588653564
+O=C(c1ccc(F)cc1)N1CC[NH+](CC[NH+]2CCOCC2)CC1,-1.3018736839294434
+Cc1ccc2cc(C(=O)NC[C@@H]3CCC[NH+](C)C3)oc2c1,-1.2154229879379272
+O=C(NCc1ccc(Br)cc1)c1cc2cc(F)ccc2[nH]1,-0.9386436939239502
+Fc1ccc(OC2CC[NH+](Cc3ccc(F)cn3)CC2)cc1,-1.2190401554107666
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.92791748046875
+O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@H]1CCOC1,-1.0827300548553467
+CCCC(=O)NCc1ccc(N2CCCc3ccccc32)cc1,-1.287804126739502
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2I)CC1,-0.9519177079200745
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2007688283920288
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(O)c1,-1.1702932119369507
+Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)nc1,-1.2146334648132324
+O=C(c1ccc(O)cc1Cl)N1CCN(Cc2ccccc2)CC1,-1.0808311700820923
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1368916034698486
+Cc1ccc(COc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.4404934644699097
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2020107507705688
+CC(C)(O)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.3441097736358643
+Cc1cccc(S)c1C(=O)NCCCc1ccc(Cl)cc1,-1.0732208490371704
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.4863570928573608
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2s1,-0.8760845065116882
+Cc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)ccc1F,-1.0584709644317627
+Oc1ccc(CN[C@@H]2CCCC[C@@H]2c2ccc(Cl)cc2)cc1,-1.2422593832015991
+CC(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.2672008275985718
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2746957540512085
+O=C(Nc1cc(Cl)ccc1F)N1CCC(c2ccccc2)CC1,-0.8820267915725708
+Fc1ccc(-c2cc(NCc3ccc(Br)cc3)ncn2)cc1,-1.0235984325408936
+C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.5054869651794434
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382851600646973
+CC(C)(C)c1nc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cs1,-0.8150292634963989
+Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1,-1.1629078388214111
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3367455005645752
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.1736665964126587
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0480291843414307
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1074472665786743
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.7388807535171509
+Oc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,-1.0480377674102783
+COc1ccc(C(=O)N2CCN(c3ccc(I)cc3)CC2)cc1,-0.9615556001663208
+Cc1ccc(-n2ccc(NC(=O)c3ccc(C)o3)n2)cc1,-1.271164894104004
+CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1,-1.0568124055862427
+Cc1c(O)nc(-c2ccccc2)nc1OCc1ccccc1,-1.121431589126587
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.486453115940094
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0674182176589966
+Cc1ccc(C(=O)NCCCc2ccc(Br)cc2)c(C)c1,-1.1416574716567993
+Fc1ccc(C[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)cc1,-1.233138918876648
+Cc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1309192180633545
+[NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6588516235351562
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9538449048995972
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1,-1.3466190099716187
+C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)[C@H]2c1ccc(F)cc1,-1.1293628215789795
+C[C@H]1C[NH+](CC2CCCCC2)CCN1Cc1ccc(F)cc1,-1.256098747253418
+C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.1192518472671509
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2863374948501587
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.1027964353561401
+Cc1occc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.1704882383346558
+CC1(C)CCCN(C(=O)Nc2ccc(C(N)=O)cc2)C1,-1.3876816034317017
+O=C(Nc1cccc(Br)c1)[C@@H]1CCN(c2ccccc2)C1=O,-1.179328203201294
+Cn1cc(NC(=O)N2CCC(c3ccc(F)cc3)C2)cn1,-1.2287980318069458
+Cc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0299490690231323
+Cc1cccc(N2CC[C@H](C(=O)Nc3nnc(C)s3)C2)c1,-0.9484620690345764
+Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0844566822052002
+C[NH+]1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.3326337337493896
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0693385601043701
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(O)cc1,-1.2224706411361694
+Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1N,-1.284533977508545
+O=C(N[C@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1O,-0.9195036888122559
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4318616390228271
+Cc1sc2ccccc2c1C(=O)NCc1ccc(O)cc1,-1.0152591466903687
+C[C@H]1CN(C(=O)N[C@H]2CCCC[C@H]2O)CC[C@H]1c1ccccc1,-1.0865068435668945
+C[NH+]1CCN(CCCNC(=O)Cc2ccc(Cl)cc2)CC1,-1.4662892818450928
+C[NH+]1CCC[C@@H](C[NH+]2CCN(Cc3cccc(Br)c3)CC2)C1,-1.258618950843811
+O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(CC(F)(F)F)C1,-0.9536150097846985
+Cc1cccnc1NC(=O)NCC[NH+]1CCCC[C@H]1C,-1.365151047706604
+Fc1cc(OCc2ccccc2)cc(-c2ccccc2)c1F,-1.3319487571716309
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.0985467433929443
+O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2Cl)cc1,-0.9142919778823853
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758756756782532
+CC[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2O)CC1,-1.1309667825698853
+Cc1ccc(NCc2ccc(O)cc2)c(-c2ccccc2)c1,-1.3439502716064453
+N#Cc1ccc(C(=O)Nc2csc(-c3ccccc3)n2)cc1,-1.2824116945266724
+O=C(C(=O)N1CCN(c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1,-0.5966715216636658
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1249221563339233
+O=C(NC1CC(c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0119504928588867
+O=C(NCCCO)N[C@@H]1CCO[C@@H](c2ccccc2)C1,-1.6807715892791748
+O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.8880205750465393
+C[C@@H]1C[NH+](Cc2ccnn2C)CCN1Cc1ccc(O)cc1,-1.1596423387527466
+CCC1CCN(C(=O)NCc2nnc(C)s2)CC1,-1.077971339225769
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0838263034820557
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3421226739883423
+O=C(Cc1cccc(F)c1)Nc1ccccc1C(=O)[O-],-1.5589319467544556
+COC1(CNC(=O)c2ccc(Br)cn2)CCCC1,-1.533416986465454
+O=C(NCc1cccc(Br)c1)C(=O)N1CCC(O)CC1,-1.3249831199645996
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4353798627853394
+O=C(Cc1ccccc1)N[C@@H]1CCCN(c2ccccc2Cl)C1,-1.199811577796936
+O=C(Cc1ccc(O)cc1)NC[C@H](O)Cc1ccccc1,-1.5979602336883545
+Cc1ccc(NCc2ccc(F)cc2)c(-c2ccccc2)n1,-1.1061697006225586
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4613306522369385
+COc1ccc(C(=O)N2CCN(c3ccc(C)nc3)CC2)cc1,-1.0193194150924683
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.9761515259742737
+CC1CCN(c2ccc(NCC(=O)N3CCOCC3)cc2)CC1,-1.3672677278518677
+O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccco2)CC1,-1.2382643222808838
+N#Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9795804023742676
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3405134677886963
+O=C([O-])[C@@H]1CC[C@@H](NC(=O)N2CCC3(CCCC3)C2)C1,-1.4419885873794556
+O=C(COc1ccc(Br)cc1F)Nc1ccc(F)cc1F,-0.8465073108673096
+Cc1ccc(CNC(=O)Cc2nc3ccccc3[nH]2)cc1,-1.4043914079666138
+O=C(CC1CCCCC1)N1CCN(C(=O)[C@@H]2CCSC2)CC1,-1.177018642425537
+Cc1ccc(NCc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.3768008947372437
+CC(C)C(O)=NCc1ccc(OCc2ccccc2)cc1,-1.5601814985275269
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9430035352706909
+Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cn1,-1.094710111618042
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.7446764707565308
+Nc1cccnc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9590514898300171
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4844871759414673
+O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.5083128213882446
+O=C(c1ccc(Cl)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.8545159697532654
+O=C(c1ccc(F)cc1)N1CCN(c2ccc(F)c3cccnc23)CC1,-0.4075767993927002
+O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1,-1.3171066045761108
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172413945198059
+COc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1,-1.510359764099121
+Cc1ccncc1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9133143424987793
+CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5889921188354492
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.1133441925048828
+Cc1cccc(-n2cnc(NC(=O)CN3CCCC3)n2)c1,-1.2226325273513794
+Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c(F)c1,-1.0613720417022705
+CC(NC(=O)N1CCN(c2ccccc2)CC1)C(C)(C)O,-1.501274585723877
+O=C(c1ccc(I)c2ncccc12)N1CCCC[C@H]1c1ccc(F)cc1,-0.24267233908176422
+C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@@H](C)O1,-1.5570626258850098
+CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.327899694442749
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5000770092010498
+FC(F)(F)c1cc(Br)ccc1NCc1ccc(Br)cc1,-0.8622405529022217
+C[NH+]1CCCN(C(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)CC1,-0.4364311397075653
+O=C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4176040887832642
+Nc1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1,-1.286448359489441
+Cc1ccccc1C(=O)N1CCN(Cc2ccccc2)C(C)C1,-1.253735065460205
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2292317152023315
+O=C(c1ncccc1Cl)N1CCC2(CC1)CCN(c1ccc(F)cc1)C2,-0.6171035766601562
+O=C(NCc1ccc(Cl)nc1)NC1CCCCC1,-1.4507410526275635
+Cc1csc(NC(=O)[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1,-0.8196242451667786
+CC1(Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,-1.5221736431121826
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0761897563934326
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F,-0.8927795886993408
+O=C(NC1CCN(c2ccc(Br)cc2)CC1)c1ccccc1F,-0.8754621148109436
+O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.491309642791748
+CC1CCCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.3669438362121582
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238887906074524
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4318493604660034
+Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)nn1C,-1.165725827217102
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5686142444610596
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6719716787338257
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1,-1.137589693069458
+Cc1ccc(C(=O)NC[C@H]2CCC(=O)N(C)C2)c(Cl)c1,-0.9423642754554749
+O=C(NC1CCCCCC1)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1568522453308105
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.0376551151275635
+Cc1ccc(C2CCN(C(=O)COCC(C)C)CC2)cc1,-1.4335976839065552
+Cc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1,-1.4016586542129517
+COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.02033531665802
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)cn1,-1.1075506210327148
+Cc1cccc(CC(=O)NCc2nc3ccccc3o2)c1,-1.5407230854034424
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2I)CC1,-0.8214015364646912
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)O)CC2)cc1,-1.5305156707763672
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2922509908676147
+Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1,-1.4719377756118774
+Nc1cnc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1,-0.7875748872756958
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.5446101427078247
+CC[C@H](C)[C@H](C)C(=O)NC[C@H]1CCC[NH+]1c1ccccc1,-1.4749319553375244
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.0898505449295044
+Cc1ccc2ccc(C(=O)N3CCC([NH+]4CCC(C)CC4)CC3)nc2c1,-0.5007708072662354
+O=C(c1ccc(-c2ccccc2)cn1)N1CCN(C2CC2)CC1,-1.107007622718811
+Cc1c(C(=O)Nc2ccccc2F)ccn1-c1ccc(Cl)cc1,-0.7575076818466187
+Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-0.9698964953422546
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.2334579229354858
+O=C(C[NH+]1CC[C@@H]2CCC[C@H]2C1)NCc1ccc(F)cc1,-1.2743885517120361
+Clc1cccc(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1,-1.2240039110183716
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1,-0.8688259720802307
+O=C(Nc1ccc2scnc2c1)N1CC[NH+](C2CCCC2)CC1,-0.869918167591095
+Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2112737894058228
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1937587261199951
+Nc1cnc(-c2ccc(Br)cc2)nc1NC[C@@H]1CCCCO1,-0.8090916872024536
+O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1,-0.8000611066818237
+CC(C)N=C(O)CN1CCOCC1,-1.8764623403549194
+Cc1ccc(C(=O)N2CC(C)OC(C)C2)c(-c2cccc(F)c2)n1,-0.6772239208221436
+O=C(NCc1ccc(F)c(Cl)c1)N1CC[NH+]2CCC[C@@H]2C1,-0.8316720724105835
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(O)c1,-1.4910014867782593
+C[C@H](CC(=O)NCc1ccc(I)cc1)c1ccc(Cl)cc1,-1.077219009399414
+O=C(Nc1ccccc1Cl)[C@H]1CCCCN1c1ccc(F)cc1,-0.9714263081550598
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3O)CC2)cc1,-1.2067410945892334
+O=C(Nc1ccc(F)nc1Cl)c1ccc(-c2ccccc2)cc1,-0.8486607670783997
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1O,-1.111061930656433
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0897654294967651
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8346004486083984
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9610476493835449
+Cc1cccc(C(=O)CNC(=O)c2ccc(F)cc2)c1,-1.3863561153411865
+O=C(NCc1ccc(Cl)cc1)N1CCO[C@@]2(CCOC2)C1,-1.533933162689209
+C[C@@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1,-1.5886348485946655
+Cc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccc(Br)cc2)cc1,-1.4238090515136719
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9204407930374146
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.2905570268630981
+c1ccc(CN2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1,-1.0447704792022705
+CC(=O)NCc1ccc(Cc2ccccc2)cc1,-1.7316442728042603
+Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.5915483236312866
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0403863191604614
+Cc1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)no1,-1.1536561250686646
+CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.1847715377807617
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0192534923553467
+Fc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1,-1.1998844146728516
+CC(c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0139623880386353
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.125114917755127
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9028136730194092
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9453946948051453
+O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC1CCOCC1,-1.0568819046020508
+C[NH+]1CCC(CNC(=O)N2CCC3(CCOCC3)C2)CC1,-1.602316975593567
+COc1ccc(CCC(=O)NCc2ccccc2)cc1,-1.6416298151016235
+Cc1nc2c(s1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.8341671824455261
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1994988918304443
+C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9571244716644287
+Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cn1,-1.0244852304458618
+O=C(C1CCOc2ccccc21)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8130366802215576
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9506547451019287
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0122214555740356
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0307950973510742
+Cc1cc(NC(=O)[C@H]2CCCS2)n(-c2ccc(F)cc2)n1,-1.0037550926208496
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3849987983703613
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9957432150840759
+O=C(Nc1ccc2cnsc2c1)c1ccc(C2CCCC2)cc1,-0.8998326659202576
+O=C(Nc1ncccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.8416042923927307
+Cc1ccc(-n2ccc(C(=O)Nc3nc(C)cs3)n2)cc1,-0.9768279790878296
+C[C@@H]1CN(C(=O)NC2CC(c3ccccc3)C2)C[C@@H](C)O1,-1.3620365858078003
+C[C@@H](CC(=O)NCc1ccccc1)[NH+]1CCOC(C)(C)C1,-1.5930025577545166
+O=S(=O)(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1,-0.7933114171028137
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2528444528579712
+Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9575380682945251
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2766894102096558
+O=C(C1CCCNCC1)N1CCN(Cc2ccc(F)cc2)CC1,-1.123669147491455
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1,-0.8623727560043335
+O=C(c1cc(Cl)ccc1F)N1CCC(Cc2ccccc2)CC1,-0.9406599402427673
+CC[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1,-1.4379253387451172
+C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1,-1.5023058652877808
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2070543766021729
+Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1,-1.2262715101242065
+CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1,-0.8789668083190918
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2s1,-0.9274938106536865
+Cc1nc2ccc(CNC(=O)N3CCC[C@H](O)C3)cc2s1,-0.9411582946777344
+Cc1ccccc1NC(=O)N1CCOC[C@@H]1c1ccc(O)cc1,-1.3783081769943237
+O=C(O)CCCC(=O)N1CCC(OCc2ccccc2)CC1,-1.5710711479187012
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCC(c2ccc(F)cc2)CC1,-0.37902262806892395
+O=C(NC[C@@H](O)Cc1cccc(Br)c1)c1ccc(Br)cc1,-1.132327914237976
+O=C(Nc1ccccc1O)N1CCN(c2ccc(F)cc2)CC1,-1.103679895401001
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cn2)cc1,-0.9266288876533508
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.389585256576538
+O=C(Nc1ccc(Br)cc1)N1CCCCC(c2ccccc2)C1,-1.1647120714187622
+CC(=O)N1CCC(CNC(=O)c2ccccc2)CC1,-1.637262225151062
+CCOc1cccc(NC(=O)c2ccc(Br)[nH]2)c1,-1.5579849481582642
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069321870803833
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1cccc(Br)c1,-1.4236706495285034
+O=C(NCc1ccc(F)cc1)N1CCC2(CCCCC2)C1,-1.5144705772399902
+CC(C)CCC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.486526608467102
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839896440505981
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.9076252579689026
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(F)c1,-1.1045976877212524
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4238587617874146
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9894319176673889
+O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2F)CC1,-0.7961689829826355
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1972824335098267
+O=C(CCOc1ccccc1)NCc1ccccc1Br,-1.5284823179244995
+O=C(c1ccc(Br)o1)N1CCN(C(=O)C2CCCCC2)CC1,-1.0032360553741455
+CC(C)[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC[C@H](C)C1,-1.397079586982727
+O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCCC[C@@H]1F,-1.2598820924758911
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.9697935581207275
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0801762342453003
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1141835451126099
+C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.186324119567871
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.287106990814209
+O=C(C[NH+]1CCOCC1)Nc1cc(-c2ccccc2)ccc1Cl,-1.281038522720337
+C[C@@H]1CN(C(=O)Nc2ccc(C3CCOCC3)cc2)CCCO1,-1.479190707206726
+CC(=O)N1CCC(NC(=O)Cc2cccc(I)c2)CC1,-1.387513518333435
+O=C(CCOc1ccccc1)NCCc1ccccc1,-1.6947885751724243
+Cc1ccc(-c2nnc(C(C)C)n2CC2CCCCO2)cc1,-0.9316163063049316
+Cc1ccc(CC2CCN(C(=O)c3ncccc3N)CC2)cc1,-0.9807491898536682
+C[C@@H]1Cc2cc(NC(=O)COc3ccccc3)ccc2O1,-1.535007357597351
+Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1,-0.9768716096878052
+Cc1ccc2cc(CNC(=O)c3ccc(O)cc3)oc2c1,-1.4262391328811646
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)N1CCCC1,-1.3410489559173584
+O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-0.9592031836509705
+O=C(Nc1cccc(F)n1)N1CCCC[C@@H]1CC(F)(F)F,-0.8697719573974609
+Nc1ccc(N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1,-0.9206479787826538
+CN(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)cc1,-1.0094324350357056
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.1216742992401123
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9837337732315063
+CCC(C)(C)C(=O)N1CCC(OCc2ccccc2)CC1,-1.5407121181488037
+Nc1cc(Cl)ccc1C(=O)N[C@H]1CCCN(c2ccccc2)C1,-0.9227943420410156
+O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)CCC2,-1.251352071762085
+O=C(c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1,-1.4820655584335327
+COC(=O)c1ccc(N2CCCC2)c(C(=O)OC)c1,-1.446286678314209
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0699948072433472
+CC(C)Oc1ccccc1C(=O)NCC(=O)O,-1.6595604419708252
+c1ccc(Cc2cnc(CNC3CCCC3)o2)cc1,-1.639780879020691
+O=C(Cc1ccccc1Cl)Nc1ccc(N2CC[NH2+]CC2)cc1,-1.1756994724273682
+COc1ccc(CNC(=O)C2CCC=CCC2)cc1,-1.6432617902755737
+CNC(=O)c1ccccc1,-1.9662721157073975
+CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,-1.4105167388916016
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.20964777469635
+O=C(Nc1ccc(I)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.825051486492157
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Br)cc2)s1,-1.0250509977340698
+O=C(Nc1ccc(-c2ccc(Br)cc2)cc1)[C@H]1CCCC[C@H]1O,-1.0297561883926392
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2ccccc2)o1,-1.0183008909225464
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-0.89959716796875
+O=C(Cc1ccccc1)NCc1cc2ccc(Br)cc2o1,-1.349870204925537
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3781205415725708
+Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1780221462249756
+CC(C)C[C@@H](O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1,-1.1268874406814575
+O=C(NCc1cccc(Br)c1)[C@@H]1CCC2(CCCCC2)O1,-1.470077395439148
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1494439840316772
+Oc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F,-1.2948802709579468
+O=C(NC1CC2(CCC2)C1)c1ccc(-n2cccn2)cc1,-1.438621163368225
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1,-1.0819345712661743
+C[NH+]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5567377805709839
+O=C(N[C@@H]1CCCO[C@H]1c1ccccc1F)c1ccc(F)cc1,-1.0387816429138184
+O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)CCC2,-1.319549798965454
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.1684118509292603
+Cc1ccc(N2CC[C@H](C(=O)Nc3ccn(C)n3)C2)cc1,-1.1601394414901733
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.2005882263183594
+Cc1ccc(C)c(NC(=O)c2ccc(C3CCCCC3)cc2)c1,-1.0748224258422852
+CC(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1,-1.0745437145233154
+COc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(Cl)cc2)cc1,-1.2015438079833984
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3438804149627686
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.293957233428955
+O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)CC1,-1.3315273523330688
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cn1,-1.0671439170837402
+CC1CCC(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)CC1,-1.3733830451965332
+Cc1ccc(CNc2nnc(-c3ccc(F)cc3)n2N)cc1,-0.8503671884536743
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1979241371154785
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.0112067461013794
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3881727457046509
+Cc1cccnc1Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.1270227432250977
+Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1,-1.2452579736709595
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([O-])cc1,-1.4793270826339722
+COc1ccc(C(=O)N[C@H]2C(=O)COc3ccccc32)cc1,-1.1724666357040405
+Cc1cc(C(=O)NCCc2ccc(F)cc2)c(F)cc1Br,-0.7213554382324219
+O=C1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1623826026916504
+O=C(NC1CCN(c2cc(F)ccc2F)CC1)c1ccccn1,-0.8568081855773926
+CN(C(=O)NCc1ccc(O)cc1)C1CCCC1,-1.6169064044952393
+[NH3+]CCC[C@@H]1CCCN(C(=O)NCc2ccccc2)C1,-1.6051671504974365
+O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(O)cc1,-1.0858721733093262
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8230443000793457
+NS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1Cl,-1.1697652339935303
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1361078023910522
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,-1.1317813396453857
+O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1c1cccc(Cl)c1,-0.8834138512611389
+O=C(Nc1ccc2c(c1)NCC2)N1CC[C@@H](c2ccccc2)C1,-1.1044063568115234
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCCC2,-0.6229149699211121
+O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(F)cc1,-1.0665837526321411
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382908821105957
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)c1,-0.9460842609405518
+Cc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O,-1.1647086143493652
+O=C(C1CCCc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.7472504377365112
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1,-0.9660457968711853
+O=CN1CCOCC1,-2.076941728591919
+C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1,-1.4204789400100708
+O=C(c1ccccc1)N1CC[C@H](Nc2nc3ccccc3s2)C1,-0.965765118598938
+O=C(Cc1cccc(F)c1)N[C@H]1CCC[NH+]1C1CCCC1,-1.3438290357589722
+Clc1ccc(NCc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.0529621839523315
+CC(N)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,-1.4863864183425903
+Cc1nc(OCc2ccccc2)c(-c2ccccc2)nc1Cl,-0.9416922926902771
+O=C(C[NH+]1CCOCC1)NCc1ccc2c(c1)CCCC2,-1.5234358310699463
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.911095142364502
+CC1CN(c2ccc(NCc3ccccc3)cc2)CC(C)O1,-1.5053486824035645
+[O-]c1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.4545032978057861
+COc1ccccc1NC(=O)N1CCCC2(CCCCC2)CC1,-1.463435173034668
+COc1ccccc1C(=O)N1CCN(C(=O)CC(C)C)CC1,-1.2670074701309204
+C[NH+]1CCC[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1,-1.376267433166504
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3329745531082153
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9914608001708984
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4279563426971436
+COc1cccc(C(=O)NCC(O)=Nc2cccc(C)c2)c1,-1.4405217170715332
+O=C(c1ccc(Cl)cc1O)N1CCC(Nc2ccccc2)CC1,-1.030906081199646
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0381520986557007
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0088515281677246
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(I)cc1,-1.166598916053772
+Oc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1O,-1.5266740322113037
+CN1CC[C@@H](C(=O)NCCc2ccc(F)cc2)CC1=O,-1.3422707319259644
+CC(C)(O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.496785044670105
+Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)no1,-1.167053461074829
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110888838768005
+Oc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-1.0932279825210571
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)CC1,-1.1072660684585571
+CN1CCC(NC(=O)C2CCCN2c2ccc(F)cc2)C1,-1.2100625038146973
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.926367998123169
+Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1,-1.3845465183258057
+O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(N2CCOCC2)cc1,-1.3483222723007202
+C[NH+]1CCC[C@@H](CNC(=O)N2CCOC3(CCCC3)C2)C1,-1.5594468116760254
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9272720813751221
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1Br,-0.7371881604194641
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0582342147827148
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1,-1.2154723405838013
+Cc1ccc(-c2nnc(NC(=O)c3ccc(C)o3)s2)cc1,-0.9899539351463318
+Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3522974252700806
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9531311988830566
+CC1(C)CN(C(=O)Nc2ccc(C(N)=O)cc2)CCO1,-1.5534948110580444
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.040520191192627
+Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)no1,-1.1701457500457764
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0782276391983032
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9599886536598206
+O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N1CCCCC[C@H]1O,-1.1042839288711548
+Cc1cccc(C(=O)N2CCOC3(CCN(c4ccccc4)CC3)C2)c1,-1.2252217531204224
+O=C(Nc1cc(Cl)ccc1O)c1ccc(N2CCOCC2)cc1,-1.0756264925003052
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(O)cc1F,-1.1746008396148682
+Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1,-1.3669644594192505
+CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1,-1.5039480924606323
+COCCOc1ccc(Nc2ccc(C)cc2)cc1,-1.649027943611145
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.293684482574463
+Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(Br)c1,-0.9816049933433533
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.1480841636657715
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.006193995475769
+CCCCOc1ccc(NC(=O)C2CCOCC2)cc1,-1.6343873739242554
+CC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1,-1.2706948518753052
+O=C(NCC1CCN(C(O)=NCCO)CC1)c1ccccc1,-1.5121684074401855
+C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCN(c3ccccc3)C2)C[C@H](C)O1,-1.4648669958114624
+O=C(Nc1ccc(F)cc1Cl)N1CCO[C@@H](c2ccccc2)C1,-1.0047593116760254
+CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2159581184387207
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9561299085617065
+O=C(Cc1ccc(O)cc1)NCCc1ccc(F)cc1Br,-1.1671143770217896
+Cc1ccc(NC(=O)N2CCC[C@H](C(C)(C)O)C2)c(Cl)c1,-1.0357447862625122
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)o1,-1.1512010097503662
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1O,-1.0773255825042725
+CC(C)(C)C(=O)Nc1ccc(CN2CCOC2=O)cc1,-1.534708023071289
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.078174352645874
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1c1ccc(F)cc1,-1.036638855934143
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.437312126159668
+O=C(NC[C@H]1CCC2(CCOCC2)O1)c1ccc(O)cc1,-1.5965250730514526
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.037514090538025
+c1ccc(-c2noc(C[NH+]3CCC(c4ccccc4)CC3)n2)cc1,-1.2283231019973755
+CC1(C)CN(C(=O)NCc2cc3ccccc3o2)CCO1,-1.5342081785202026
+C[C@@H]1C[NH+](CCNC(=O)c2ccc(Cl)cc2O)C[C@H](C)O1,-1.1540247201919556
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1,-1.1066676378250122
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-1.0250592231750488
+C[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCCC2)C1,-1.6355152130126953
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2176076173782349
+O=C(N[C@@H]1CC=CCC1)N1CCC(c2ccc(F)cc2)CC1,-1.2399142980575562
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccccc1,-0.965119481086731
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.363273024559021
+Cc1ccccc1NC(=O)c1ccc(N2CCC([NH3+])CC2)cc1,-1.1808596849441528
+O=C(Cc1ccc(F)cc1)N1CCN(c2cccc3ccccc23)CC1,-0.8272327184677124
+C[C@@H]1CCCCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.3900158405303955
+CC(Cc1ccccc1)N=C(O)CNC(=O)c1ccccc1,-1.5477443933486938
+C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4545329809188843
+Cc1ccc(C(=O)N2CCNCC2)cc1,-1.754846215248108
+c1ccc(-c2ccc(CN3CCC[C@H]3c3ccccc3)cc2)cc1,-1.342966914176941
+CC1(O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1,-1.5511001348495483
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-0.789771556854248
+COc1ccccc1CCNC(=O)[C@H]1CC=CCC1,-1.6285773515701294
+Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1,-1.037490963935852
+CC1(C)CCN(C(=O)Nc2ccc(C(N)=O)cc2)CC1,-1.3657612800598145
+O=C(N[C@H]1CCN(c2ccccc2)C1)N1CC[C@H]2CCC[C@H]2C1,-1.0789943933486938
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0274953842163086
+Cc1cc(C(=O)N2CCN(c3cccc(F)c3)[C@@H](C)C2)ccc1F,-0.5799445509910583
+C[C@H]1CN(C(=O)Nc2ccccc2F)CC[C@@H]1c1ccccc1,-1.0107380151748657
+C[C@H]1CCCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.044434666633606
+CC(C)c1cccc(C(=O)NCc2ncc[nH]2)c1,-1.4495466947555542
+CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1Cl,-1.4241913557052612
+NC(=O)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1,-0.9739701747894287
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1138949394226074
+Cc1nc2cccc(C(=O)NC[C@@H]3CC34CCCC4)c2o1,-1.1599935293197632
+Cc1ccc(CNc2nc(-c3ccccc3)ccc2N)cc1,-1.0994789600372314
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(Cl)c1,-1.2016751766204834
+COc1ccc(C(=O)N2CCCC(c3cccc(F)c3)CC2)o1,-1.2578238248825073
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Br,-0.910657525062561
+Fc1ccc(-c2noc(-c3ccc(OC4CC4)cc3)n2)cc1,-1.1089928150177002
+COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,-1.132992148399353
+CC(CC(C)(C)C)C(=O)Nc1ccc(C(C)(O)C(C)C)cc1,-1.250657320022583
+CC1(C)COc2ccc(NC(=O)Cc3ccc(F)cc3)cc21,-1.1479644775390625
+CC1CCC(O)(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1,-1.5778106451034546
+O=C(NCc1ccc(Br)cn1)N1CCC2(CCCCC2)C1,-1.237192988395691
+CC(C)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1,-1.302040934562683
+Cc1nc(Cl)ccc1C(=O)Nc1cccc(-c2ccccc2)c1,-0.9863513708114624
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1299934387207031
+O=C(c1cccs1)N1CCN(c2ccnn2C2CCCC2)CC1,-0.9772725701332092
+O=C(NC[C@@H]1CCCCO1)Nc1ccc(Br)cc1,-1.5746287107467651
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8814975619316101
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.195777177810669
+Cc1ccc(Cn2nc(C)cc2C(O)=NCc2ccccc2)cc1,-1.0968724489212036
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3847559690475464
+CC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1,-1.1365203857421875
+Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1Cl,-1.354398488998413
+C[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.397525668144226
+O=C(c1ccc(Nc2ncc(O)cc2Cl)cc1)N1CCCCC1,-0.9166492223739624
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.389991044998169
+O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1,-1.086401104927063
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9390590190887451
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464797019958496
+O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1c1ccccc1F,-0.8835098743438721
+CN1CCN(c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)C1=O,-1.2605739831924438
+Cc1cnc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2n1,-0.34603095054626465
+Cn1cc(C(=O)NC2CCCC2)c(-c2ccc(Cl)cc2)n1,-0.9138887524604797
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9832179546356201
+Cc1ccc(C)c(C(C)(C)C)c1,-1.7432228326797485
+C[C@@H]1C[NH+](CC2CCOCC2)CCN1Cc1ccc(Cl)cc1,-1.3646365404129028
+Cc1ccccc1NC(=O)N1CCC[C@@H](c2cccc(F)c2)C1,-1.0277372598648071
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.251702904701233
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.024052381515503
+CC(C)(O)CC(=O)N1CCC(OCc2ccccc2)CC1,-1.6005120277404785
+CS(=O)(=O)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.1314493417739868
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9531249403953552
+CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1,-1.4165326356887817
+Cn1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)n1,-0.9846958518028259
+Cc1ccccc1NC(=O)N1CCC[C@H](c2cccc(F)c2)C1,-1.1283332109451294
+CC1(C)CC[C@@H](NC(=O)c2cc(-c3ccccc3)[nH]n2)C1,-1.2922332286834717
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-0.9760304689407349
+O=C([O-])C1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1,-0.9109306335449219
+C[C@@H]1CN(C(=O)NCC(C)(C)O)CC[NH+]1C1CCCCC1,-1.3719725608825684
+Cc1cc(F)ccc1NC(=O)c1cccc(N2CCCCC2)c1,-1.1294496059417725
+[N+]c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.1507819890975952
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.295283317565918
+CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(O)c2)CC1,-1.1061691045761108
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.071205735206604
+CC(=O)N1CCC(NC(=O)Cc2ccc(I)cc2)CC1,-1.2173776626586914
+O=C(c1cc(O)nc2ccccc12)N1CCCC[C@@H]1c1ccc(F)cc1,-0.62323397397995
+Cc1nc(-c2ccccc2)c(N)cc1C(=O)Nc1ccccc1,-0.8768671154975891
+O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1,-1.374275803565979
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)cc1,-0.9669063091278076
+Cc1ccc(N2CCCCC2)c(C)c1,-1.7577197551727295
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7568411231040955
+Cc1ccc(CCN=C(O)CNC(=O)c2ccccc2)cc1,-1.5768589973449707
+O=C(NCc1ccc(Br)cc1)N1Cc2ccc(F)cc2C1,-1.0449068546295166
+Cc1ccc(OCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.5278626680374146
+COCc1nnc(NC(=O)c2ccc(Cl)cc2)s1,-1.2844595909118652
+Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9514122009277344
+O=C1Cc2cc(NC(=O)Nc3ccccc3)ccc2N1,-1.5289876461029053
+C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCCOC2)C1,-1.6657218933105469
+O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1,-0.9903625845909119
+NC(=O)CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.220864176750183
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0189650058746338
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1,-0.9542078375816345
+CC(C)CNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1,-1.318960189819336
+CCN1CCN(Cc2ccc3[nH+]c(-c4ccccc4)[nH]c3c2)CC1,-1.103590488433838
+NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.3991587162017822
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9719265103340149
+CCCCOc1ccc(C(=O)NC2CCCCC2)cc1,-1.6116595268249512
+O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)nc1,-0.9289684891700745
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874359369277954
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0811806917190552
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2ccc(I)cc2)o1,-1.3248612880706787
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3O)cn2)CC1,-1.1630806922912598
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)on2)no1,-1.086830735206604
+O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F,-1.0414491891860962
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1318081617355347
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0853041410446167
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9428250193595886
+N[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1,-1.4876511096954346
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1604691743850708
+[NH3+][C@H](CC(=O)NCc1ccc(Br)cc1F)c1ccccc1,-1.1182427406311035
+CCC[NH+]1CC(NC(=O)c2ccc(O)cc2[Si](C)(C)C)C1,-1.1913750171661377
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0258861780166626
+O=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)s1,-1.490230917930603
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9683796167373657
+Cc1cc(C(=O)NC2CCN(c3ccc(F)cc3)C2)no1,-1.2478959560394287
+O=C(c1ccc(-c2ccccc2)nc1)N1CCN(C2CC2)CC1,-1.029981255531311
+Cc1ccc2nc(Cc3ccccc3)[nH]c2c1,-1.5135157108306885
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4398833513259888
+Cc1ccc(CC(=O)NCC(=O)c2ccccc2)cc1,-1.6393998861312866
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9984838366508484
+C[C@H](O)CNC(=O)N1CCN(c2ccc(Cl)c(F)c2)CC1,-0.9429349303245544
+O=C(NC[C@H]1CCCO1)Nc1ccc(Br)cc1F,-1.4310977458953857
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.3329981565475464
+Nc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6689797639846802
+O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.189454436302185
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.0206401348114014
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5141701698303223
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1,-0.8938236832618713
+C[C@H]1C[NH+](CC(=O)NCc2ccc(F)cc2Cl)CCCO1,-1.1641180515289307
+Cc1ccc(CNC(=O)c2cc3ccc(Cl)cc3o2)cc1,-1.2337658405303955
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0794179439544678
+CCCCCC(O)=NC1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1,-1.1277990341186523
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1421374082565308
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3632797002792358
+CC(C)(O)CC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1,-1.5964046716690063
+C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1,-1.176283836364746
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.3786935806274414
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0352184772491455
+Cc1[nH+]cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)s1,-1.220380187034607
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1658027172088623
+Cn1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)n1,-1.067663311958313
+CC(C)(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1,-1.402280569076538
+O=C(NCc1ccc(F)cc1)c1cc2cc(Br)ccc2[nH]1,-0.9398342370986938
+Cc1ccc(NC(=O)N2CCC(c3ccccc3O)CC2)cc1,-1.1498321294784546
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(O)cc2)o1,-1.2862787246704102
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5060787200927734
+Cc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1,-1.1304216384887695
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172311425209045
+O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1,-0.7717810273170471
+Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cn1,-1.23521089553833
+O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.941657543182373
+Fc1cccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)c1,-1.1853599548339844
+CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1,-1.1880841255187988
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2F)CC1,-0.7366592288017273
+O=C(CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1,-1.2491482496261597
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4249932765960693
+O=C(N[C@H]1CCC[C@H](F)C1)N1CCC(CC(F)(F)F)CC1,-0.9105085730552673
+O=C([C@@H]1CC[NH+]2CCC[C@H]2C1)N1CC[NH+](CC2CCCC2)CC1,-1.0490877628326416
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1662993431091309
+O=C(C1CCCCCC1)N1CCC(Oc2ccc(F)cc2)CC1,-1.299045443534851
+CC(=O)Nc1ccc(NCC2CCCCC2)cc1,-1.664547085762024
+O=C(N[C@H]1CC12CCCCCC2)c1ccc(C2CCCC2)cc1,-1.3136361837387085
+O=C(NCc1ccc(F)c(Cl)c1)c1ccn2ncnc2c1,-0.8695852160453796
+Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1,-1.061824917793274
+CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1,-1.5253270864486694
+O=C(c1cccc(F)c1)N1CCC(Oc2ccccc2Br)CC1,-0.9861761331558228
+OCCOc1ccc(COc2ccc(S)cc2)cc1,-1.6239126920700073
+CCc1ccc(C(=O)N[C@@H]2CCC[C@H](C3CCOCC3)C2)cc1,-1.2843654155731201
+O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.2731168270111084
+Cc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.373475193977356
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccn(-c2ccccc2)n1,-1.1890586614608765
+O=C(NCc1ccc(F)cn1)N1CCC2(CCCO2)CC1,-1.4702024459838867
+CC1CCN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC1C,-0.7890123724937439
+Cc1cc(I)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0741606950759888
+Cc1ccc(CNC(=O)NC2CCCCC2)cc1,-1.708689570426941
+C[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.225071668624878
+Cc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1357303857803345
+O=C(Nc1ccc(Cl)nc1)N1CCN(c2ccccc2F)CC1,-0.8035938739776611
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1884382963180542
+CC(C)(C)C(=O)Nc1cccc(OCC(N)=O)c1,-1.6136573553085327
+CC(C)(O)CC(=O)NC[C@@H]1CCO[C@H](c2ccccc2)C1,-1.64372718334198
+O=CNC1CCCCC1,-2.0267887115478516
+Cc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1C(C)(C)C,-0.8735033869743347
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.139817714691162
+O=C(CCc1ccccc1)N1CCCC1Cc1ccccc1Cl,-1.352993369102478
+Cc1nc(CN2CCN(C(=O)C3(O)CCCC3)CC2)cs1,-1.221774697303772
+O=C1Cc2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc2N1,-0.8248841166496277
+Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1,-1.07652747631073
+Cc1ccc(Nc2ccc(NC(=O)C(=O)O)cc2)cc1,-1.5595544576644897
+O=C(O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5561549663543701
+O=C(NC1CCCCC1)N1CCCN(c2ccc(Br)cc2)CC1,-1.1138668060302734
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)s1,-0.8497288227081299
+Cc1ccc([O-])cc1-c1ccc(CNc2ccccc2)cc1,-1.4848864078521729
+C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1,-1.454106330871582
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2Cl)CC1,-1.0404887199401855
+CC(C)(O)CN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1,-1.3272136449813843
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)cc2)cc1,-1.1589477062225342
+Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)n1,-1.0277316570281982
+c1ccc(-c2ncc(C[NH+]3CCN(c4ccccc4)CC3)s2)cc1,-1.1595288515090942
+Cn1cc2cc(C(=O)NCc3ccc(F)cc3)ccc2n1,-1.0109105110168457
+O=C(COc1ccc(O)cc1)N1CCN(c2ccccc2)CC1,-1.453463077545166
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.190449595451355
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9939857721328735
+C[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(F)nc1,-0.973231315612793
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924268960952759
+CN1CCC(C)(C(=O)Nc2noc(-c3ccccc3)n2)C1,-1.434564232826233
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0847773551940918
+Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(C)(C)C)C2)s1,-1.3150602579116821
+Cc1noc(-c2ccc(NC(=O)c3csc(C)n3)cc2)n1,-0.9115495681762695
+Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1,-1.2239573001861572
+CC(O)COc1ccc(OCc2ccccc2)cc1,-1.6909891366958618
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.974911093711853
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.076109766960144
+C[C@H]1CN(C(=O)Nc2ccccc2F)CCN1c1ccccc1,-1.0383843183517456
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1,-1.0558412075042725
+Cc1ccc([C@H]2CCCCN2C(=O)NCCCC(N)=O)cc1,-1.2795019149780273
+Cc1ccc([C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)CCO2)cc1,-1.1862294673919678
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.1814829111099243
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.063044786453247
+CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC(=O)C2)cc1,-1.4117196798324585
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1,-0.9387940764427185
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCCCC2)nc1,-1.1553325653076172
+O=C(Cc1ccccc1Br)N[C@H]1CCCN(c2ccccc2)C1,-1.1600631475448608
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4618244171142578
+CC(C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1,-1.537323236465454
+C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.4633815288543701
+C[NH+]1CC[C@H](C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C1,-1.01078462600708
+Cc1nc(-c2ccc(C(=O)Nc3ncc(C)o3)cc2)n[nH]1,-0.9946690201759338
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9188397526741028
+O=C(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2,-1.313206672668457
+O=C(NC1CCCCCC1)[C@H]1CCC[C@@H](c2ccc(F)cc2)C1,-1.230526328086853
+Cc1nc(NCc2ccc(N)cc2)cc(-c2ccccc2)n1,-1.0088629722595215
+O=C(N[C@H]1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1Cl,-1.0198216438293457
+O=C(CCCOc1ccccc1)NCc1ccccc1,-1.7008494138717651
+Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C,-1.0781179666519165
+O=C(N[C@@H]1C[C@@H]2CCC[NH+]2C1)c1ccc(-c2ccccc2)cc1,-1.1990152597427368
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)CCCC2,-1.2733441591262817
+Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2682002782821655
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6431130170822144
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1,-1.0697418451309204
+O=C(c1ccc(F)c2cccnc12)N1CCN(c2ccc(F)cc2)CC1,-0.392410010099411
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1,-1.1655712127685547
+CCc1ccc(NC(=O)[C@H](C)NC(C)=O)cc1,-1.6423074007034302
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(I)cc1,-0.9788734316825867
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)C1CCCCCC1,-1.1284828186035156
+CC1CN(Cc2ccc(F)cc2)CCN1CC1CCCCC1,-1.2106239795684814
+Cc1ccccc1NC(=O)N1CCN(c2ccccc2)[C@H](C)C1,-1.1090176105499268
+Cc1ccc(CN(C)C(=O)Cc2ccc(F)cc2Cl)cc1,-0.9918618202209473
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238656759262085
+CC(C)[C@@H](C)CNC(=O)c1ccc(N2CCOCC2)cc1,-1.4975498914718628
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1775718927383423
+Cc1ccc(CN2CCN(C(=O)C3CCCc4ccccc43)CC2)cc1,-0.9133703112602234
+O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1,-1.072630524635315
+C[NH+]1CCN(c2ccc(OCC(=O)N3CCCCC3)cc2)CC1,-1.3867849111557007
+CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1Cl,-0.8605911135673523
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.001596450805664
+Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cn1,-1.0033466815948486
+NC(=O)N[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1,-1.3101404905319214
+O=C(c1ccc(F)nc1)N1CCCC[C@H]1Cc1ccccc1F,-0.8264110684394836
+CN(C(=O)C(=O)N[C@@H]1CC[NH+](C)C1)c1ccc(Br)cc1,-1.104377269744873
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0828959941864014
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc2nccn2c1,-1.065798044204712
+Cc1ccc(NC(c2ccccc2)c2ccc(C)cc2)cc1,-1.4045426845550537
+Cc1ncsc1C(=O)N1CCC(Cc2ccc(F)cc2F)CC1,-0.5546167492866516
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898396134376526
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)c2cc(C)[nH]n2)cc1,-1.1794344186782837
+Cc1nc(CN2CC[NH+](Cc3ccc(F)cc3F)CC2)no1,-1.0152766704559326
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1,-1.0228484869003296
+COc1ccc(C(=O)N2CCOC3(CCCCC3)C2)c(OC)c1,-1.4212074279785156
+Cn1cc(N2CC[C@H](NC(=O)c3cccc(F)c3)C2)cn1,-1.1950446367263794
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3678051233291626
+Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9527900815010071
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccc(O)cc2)cc1,-1.1296497583389282
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1,-1.0321009159088135
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.6717864274978638
+Cc1ccc(C(=O)N2CC(Nc3ccc(F)cc3)C2)cn1,-1.106040596961975
+Cc1ccc(CC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1,-1.5696945190429688
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9086559414863586
+c1ccc(CN2CCC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1,-1.2726109027862549
+O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCC[NH+]1C1CCCCC1,-0.7907771468162537
+CC1CCN(C(=O)c2ccc(OCC(=N)O)cc2)CC1,-1.5657432079315186
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3682626485824585
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.214645266532898
+O=C(NCc1ccc(O)cc1)c1cc2ccc(Cl)cc2s1,-0.976693332195282
+CC(C)(CO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5620092153549194
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1,-1.0690804719924927
+c1ccc(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0766410827636719
+Cc1ccccc1CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.4679306745529175
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.5281329154968262
+O=C([O-])N1CCC[C@@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1,-0.9777910709381104
+O=C(NC1CCOCC1)[C@@H]1CCN(c2cccc(F)c2)C1=O,-1.0793354511260986
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1,-1.1707948446273804
+CC1CC[NH+](CCNC(=O)CCc2ccc(F)cc2)CC1,-1.556413173675537
+O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccn2)CC1,-0.967276930809021
+Cc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)c(C)c1,-1.212319254875183
+O=C(NC[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[C@@H](F)C1,-1.5066367387771606
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464849472045898
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2247223854064941
+O=C(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(I)cc1,-1.2452837228775024
+Cc1ccc(C(=O)NC2CCN(c3ccccc3Cl)CC2)cc1,-0.9787805080413818
+C[C@@H]1CCc2cccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C1,-0.4069223999977112
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9797490835189819
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.184579610824585
+O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1ccc(Br)cc1,-0.9910151958465576
+O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2F)CC1,-0.9474714398384094
+O=C(Nc1ccc(C2CC2)cc1)c1cc(F)c(F)cc1F,-0.6746311187744141
+[NH3+][C@H]1CCC[C@@H]([NH+]2CCC[C@@H](NC(=O)c3ccccc3)CC2)C1,-1.381064534187317
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1,-1.0867538452148438
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6729315519332886
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835638999938965
+C1CCC(CNC2CCN(CC3CCCS3)C2)CC1,-1.563780665397644
+CN1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2157341241836548
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617070555686951
+Cc1ccc(-c2ccccc2NCC(O)=Nc2ccc(Cl)cc2Cl)cc1,-0.7051098346710205
+O=C(Nc1ccn(-c2ccccc2)n1)[C@H]1CC[NH+]2CCCC[C@H]12,-1.139491081237793
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1,-1.0960031747817993
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6872684955596924
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3193976879119873
+O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2s1,-0.9826725721359253
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2,-1.1577709913253784
+O=C(Nc1cn[nH]c1-c1ccccc1)c1n[nH]c2ccccc12,-0.9083295464515686
+O=C(c1ccc(O)cc1F)N1CCC[C@H](Oc2ccccc2)C1,-1.1977832317352295
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1567442417144775
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.6711296439170837
+C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C(F)(F)F,-0.5918777585029602
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC[NH+]2CCC[C@H]2C1,-1.0542017221450806
+Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cs1,-0.8783947229385376
+CC(C)(C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5601545572280884
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.221269965171814
+Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.3099365234375
+O=C(NCC1CCCCC1)Nc1ccc(F)cc1,-1.6298015117645264
+C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.4632633924484253
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2759859561920166
+O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCC[C@H]1c1ccccc1F,-0.6181550025939941
+Cc1cc(-c2ccc(Br)cc2)nc(NCc2ccccc2)n1,-0.8947729468345642
+CC(C)C(C)(C)NC(=O)c1ccc(N2CCCCC2)cc1,-1.2381781339645386
+O=C(NCc1ccc(Cl)c(Br)c1)c1ccc2nc[nH]c2c1,-0.7354129552841187
+O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(Cl)cc1,-0.8951408267021179
+O=C(Nc1ccccc1)[C@@H]1COCCN1c1ccc(F)cc1F,-1.082050085067749
+O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CCC[C@@H](F)C1,-1.1609300374984741
+Fc1cc(COc2ccc(-c3ccccc3)cc2)ccc1Br,-1.1491295099258423
+COc1ccc(CNC(=O)C(C)(C)C(C)C)cc1Br,-1.059943675994873
+Clc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1,-0.8257817625999451
+O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9408519864082336
+O=C(NC[C@H](O)Cc1cccc(O)c1)c1ccc(Cl)cc1,-1.5220609903335571
+O=C(COCc1ccccc1)Nc1ccccc1,-1.7474814653396606
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.0672506093978882
+C[C@H]1CCCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1,-1.1093318462371826
+CCCCC(=O)NC1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.15944504737854
+CC(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1,-1.005935549736023
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O,-0.9894899129867554
+Cc1ccc(NC(=O)c2ccc(-c3n[nH]c(C)n3)s2)cc1,-0.8652665615081787
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5305393934249878
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cn1,-0.9516385197639465
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1,-1.209148645401001
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2334496974945068
+Cc1ccccc1C(=O)NC1CCN(c2ccc(N)cc2)CC1,-1.0453369617462158
+O=C(Cc1ccccn1)Nc1ccc(N2CCCC2=O)cc1,-1.3705335855484009
+Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)n1,-0.9769321084022522
+CCN1CCC[C@H](CNC(=O)c2ccc(O)s2)C1,-1.5680545568466187
+C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)CC[C@@H]1c1ccc(F)cc1,-0.5465801358222961
+O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.2250703573226929
+O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(Cl)c2)CC1,-0.9663071036338806
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1O,-1.1892263889312744
+O=C(NCCc1ccc(Br)s1)NC1CCOCC1,-1.548062801361084
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0306180715560913
+c1ccc(-c2noc(COc3cc4c(s3)CCCC4)n2)cc1,-1.183493733406067
+CC(C)CCC(=O)Nc1ccc(NC(=O)C(C)C)cc1,-1.5214046239852905
+COc1ccccc1C(=O)NCc1ncc(C)s1,-1.5132906436920166
+COc1ccc(N2CCN(C(=O)c3ccccc3)C[C@@H]2C)cc1,-1.2611443996429443
+Cn1cc(C(=O)Nc2ccc(F)cc2)c(-c2ccco2)n1,-1.1108213663101196
+CC1(C)CCC[C@@H]1CNC(=O)Cc1ccc([NH3+])cc1,-1.5733577013015747
+COC1CCN(C(=O)C2CCN(c3ccc(F)cc3)CC2)CC1,-1.0374882221221924
+Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1,-0.7907508015632629
+Cc1ccc(Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)nn1,-0.9055495858192444
+Fc1ccc(C[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.3902782201766968
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0502281188964844
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.408273696899414
+Cc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1,-1.1686161756515503
+CCCCCCCCCCCCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,-1.0816782712936401
+O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1F,-0.8414357900619507
+O=C(NCc1ccc(F)cc1)c1cc2ccc(F)cc2s1,-0.9274948239326477
+CC(O)(CNC(=O)Nc1ccc(Br)cc1)C(F)(F)F,-1.3808298110961914
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3363304138183594
+O=C(CCC1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5250303745269775
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.096526026725769
+O=C(Cc1ccccc1O)N[C@@H]1CCCO[C@H]1c1ccccc1,-1.436951756477356
+C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.313919186592102
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5243605375289917
+O=C(NCc1ccc(F)cc1)N1CCC2(CCOCC2)C1,-1.5420364141464233
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F,-1.292037844657898
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4435590505599976
+CC(C)(C)C(C(=O)NCc1ccccc1)c1ccccc1,-1.537346363067627
+CCOc1ccc(NC(=O)C(=O)CCC(F)(F)F)cc1,-1.4935479164123535
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.041983723640442
+Cc1ccc(F)c(C(=O)NC2CCC(c3ccccc3)CC2)c1,-1.01765775680542
+Nc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1Br,-0.8970739245414734
+c1ccc(Cc2nc(-c3ccc(-c4ccncc4)cc3)no2)cc1,-1.1696395874023438
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.278745412826538
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0379440784454346
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.025046706199646
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2968248128890991
+O=C(NCC1CC1)c1ccn(-c2ccccc2)n1,-1.6483701467514038
+Clc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1499629020690918
+COc1ccc(CNc2ccc(C(C)C)cc2)cc1,-1.6276741027832031
+CC[NH+]1CCC(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1,-0.9237825274467468
+O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1,-1.4853277206420898
+C[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3F)cc2)C1,-1.1348797082901
+C[C@H]1C[NH+](Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4917347431182861
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.3885571956634521
+Cc1ccc(C(=O)NC[C@H]2CCOC3(CCCCC3)O2)o1,-1.6027239561080933
+Nc1cc(SCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-0.7894592881202698
+Cc1nc([C@H]2CCC[C@H]2NC(=O)Cc2ccccc2)n[nH]1,-1.1108779907226562
+O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,-1.1376292705535889
+C[C@H]1COCC[NH+]1CC(=O)Nc1ccc(-c2ccccc2)cc1,-1.4825352430343628
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874192476272583
+Cc1cc(Br)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0548689365386963
+CC1(O)CCN(C(=O)Nc2ccc(-c3cccs3)cc2)C1,-1.5003762245178223
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.1700787544250488
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1,-1.2432719469070435
+CC(=O)Nc1ccc(SCc2ccccc2)cc1,-1.6422361135482788
+Cc1nc(-c2nc3ccccc3[nH]2)n(-c2ccc(-c3ccccc3)cc2)n1,-0.4423348307609558
+O=C1CCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.1278437376022339
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1,-1.2021061182022095
+CCC[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.3669244050979614
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698589563369751
+O=C(Cc1ccc(F)cc1)NCc1noc2ccccc12,-1.2396876811981201
+CC(c1ccccc1)N1CCN(C(=O)c2ccc(F)nc2)CC1,-0.9802941083908081
+CCc1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9988344311714172
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0273196697235107
+Nc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1,-1.1838490962982178
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)on1,-1.170128583908081
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.2348248958587646
+O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(F)cc1,-1.0280383825302124
+CN1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1=O,-1.3310179710388184
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9650598168373108
+CC(C)c1ccc(NC(=O)C2CCN(C)C(=O)C2)cc1,-1.2540465593338013
+c1ccc(CN2CC[NH+]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1,-1.4181342124938965
+O=C(c1cccc2nc(O)ccc12)N1CCN(c2ccc(F)cc2)CC1,-0.6471728086471558
+Cc1ccccc1NC(=O)N1CCC(c2cccc(F)c2)CC1,-1.0246573686599731
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1,-1.21249520778656
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.225550889968872
+O=C1NC[C@H]2CCCN1C2,-1.9098857641220093
+O=C(NC1CCCCC1)c1ccc(OCCCS)cc1,-1.581066608428955
+O=C(NC[C@@H](O)CC1CCCCC1)c1ccc(F)c(F)c1,-1.1522252559661865
+Cc1ccc(CNC(=O)c2cc3ccc(Br)cc3s2)cc1,-0.8781265616416931
+OC(=NC1CCN(Cc2ccccc2)CC1)N1CCOCC1c1ccccc1,-1.1451542377471924
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.122599720954895
+COc1ccc(C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)cc1,-1.3173375129699707
+Cc1nc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl,-0.9381517171859741
+O=C(c1ccc(Br)o1)N1CCC(O)(Cc2ccccc2)C1,-1.4476139545440674
+O=C(N[C@@H]1CC[C@H]1c1ccc(Cl)cc1)c1ccc(O)cc1,-1.209742784500122
+Cc1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1,-1.0292547941207886
+O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.8803576231002808
+CC1(O)CCC(c2ccccc2)CN(Cc2ccc(F)cc2)C1=O,-1.084204077720642
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.350800633430481
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1412947177886963
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1,-1.0818241834640503
+O=C(NC1CCCCCC1)N1CCN(c2cccc(F)c2)CC1,-1.1801109313964844
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0291588306427002
+CC1(C)CCCN(C(=O)C(=O)NCC2CCCCC2)C1,-1.527650237083435
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.0702804327011108
+O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(O)cc1,-1.3194785118103027
+Cc1nnc(-c2ccccc2)c(NCc2cccc(O)c2)n1,-0.963616669178009
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl,-0.9077644348144531
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.6409778594970703
+COc1ccc([C@H]2C[C@H](O)C[NH+]2Cc2ccc(F)cc2)cc1,-1.2722711563110352
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8954838514328003
+O=C(NC1(c2cccc(F)c2)CCC1)c1ccc(F)cc1,-1.3548394441604614
+Cc1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0275607109069824
+CC(C)N1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1,-0.7338665723800659
+Cc1ccc(-c2nc(CC(=O)N3CCC(C4CC4)CC3)cs2)cc1,-0.7575631737709045
+C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)C1,-1.500770926475525
+C[C@@H]1CN(c2cccc(NCc3ccccc3)c2)C[C@H](C)O1,-1.501539707183838
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2974554300308228
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1689703464508057
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc([O-])cc1,-1.5346940755844116
+O=C(NCc1nc2ccc(F)cc2o1)c1cccc(Br)c1,-0.9143924117088318
+CC[C@H](C)CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1,-1.4997508525848389
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.0922598838806152
+O=C(Nc1cc(C2CCOCC2)cc(F)c1F)C1CCCCC1,-0.8674130439758301
+C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2351481914520264
+Nc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1,-1.420275092124939
+N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1,-1.317564845085144
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,-1.015433430671692
+CC(c1ccccc1)C(C)(C)NC(=O)c1ccc(O)cc1,-1.3743611574172974
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2cc[nH]c2c1,-1.1450406312942505
+CCOc1ccc(N)cc1,-1.9539165496826172
+O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cc(-c2ccccc2)[nH]n1,-1.1213146448135376
+O=C(Nc1cccc(-c2cccs2)c1)c1cc2ccccc2[nH]1,-1.1069633960723877
+Cc1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nc2c1,-0.5271531343460083
+CC(O)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O,-1.6164358854293823
+CC(C)[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1,-1.0364174842834473
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1361430883407593
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1Cl,-1.0296374559402466
+CCNc1ccc(NC(=O)Cc2cccs2)cc1,-1.6342085599899292
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.2250851392745972
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1,-1.0909889936447144
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2[nH]1,-0.9108999967575073
+Fc1ccc(-c2nnc(NCc3cc(F)ccc3F)s2)cc1,-0.594117283821106
+O=C(Nc1cc(F)ccc1F)N1CCN(c2ccccc2)CC1,-0.9743816256523132
+O=C(NCc1cccc(F)c1)NC1CCCCC1,-1.6355620622634888
+CCCOc1ccc(NCc2ccc(Cl)cc2)cc1,-1.5854761600494385
+COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2)CC1,-0.9877368807792664
+Cc1cnc(NC(=O)c2conc2-c2ccc(Cl)cc2)s1,-0.9313863515853882
+O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccc(F)cc1,-0.7972502112388611
+C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1,-1.4507490396499634
+CC[C@@H]1CCCN(C(=O)NCc2nnc(C)s2)C1,-1.0859845876693726
+Cc1cc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)n[nH]1,-1.3189027309417725
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781598091125488
+CC(C)[C@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1,-1.1981207132339478
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-1.0606547594070435
+O=C(Cc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1,-1.5317169427871704
+Cc1ccc(NC(=O)CN2CCCC(c3ccccc3)C2)cc1,-1.448286533355713
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1124632358551025
+O=C(Cn1nnc2ccccc21)NCc1ccc(Cl)cc1,-1.071281909942627
+Cn1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n1,-1.064721703529358
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9597434997558594
+CCN1CC[NH+](C[C@H](C)OCc2ccccc2)CC1,-1.7047288417816162
+C[NH+]1CCN(C(=O)CCCC(=O)NCc2ccccc2)CC1,-1.5431227684020996
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)o1,-1.0993655920028687
+Cc1nc(O)c(-c2ccccc2)nc1NC(=O)c1ccccc1,-0.9075741171836853
+Fc1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)cc1,-1.1643028259277344
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(O)cc3)s2)s1,-0.866042971611023
+Nc1cccnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-0.9908060431480408
+Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.4373263120651245
+CC1(O)CC[NH+](C[C@@H]2CCC[NH+](Cc3ccccc3Br)C2)C1,-1.3481261730194092
+CC1(c2ccc(F)cc2)CCN(C(=O)NC2CCCC2)C1,-1.2836329936981201
+CC1(C)CC[NH+](CC(=O)NCc2ccc(Cl)cc2)C1,-1.552053689956665
+Cc1ncc(C(=O)N[C@H]2CCN(c3cccc(F)c3)C2)[nH]1,-0.9990490674972534
+Cc1cccc(C)c1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1,-1.06882643699646
+O=C(c1cccc2ccccc12)N1CCN(c2ccc(F)c(F)c2)CC1,-0.527278482913971
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)no1,-1.0866440534591675
+O=C(c1cccc2[nH]c(=O)[nH]c12)N1CCN(c2cccc(F)c2)CC1,-0.6297812461853027
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9569414258003235
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.062854290008545
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.054358720779419
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5153660774230957
+CC1(C)CC(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1,-1.5209993124008179
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.706939935684204
+O=C(Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1,-1.3561500310897827
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2188125848770142
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.103294014930725
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3721367120742798
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2118982076644897
+N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)cn1,-1.2073373794555664
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112633228302002
+Fc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1,-1.1199396848678589
+O[C@H]1C[C@@H](Cc2ccccc2F)[NH+](Cc2ccc(F)cc2)C1,-1.1330831050872803
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2371629476547241
+Nc1cc(N2CCC(OCc3ccccc3)CC2)ccc1F,-1.2544060945510864
+Fc1cc(CN2CCC[C@H](Cc3ccccc3)C2)ccc1Cl,-1.2482640743255615
+COc1cccc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,-0.9918810725212097
+O=C(CC(c1ccccc1)C1CCCCC1)Nc1ccccc1,-1.4942525625228882
+Nc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0321640968322754
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.958916425704956
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.5303800106048584
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0643219947814941
+Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(F)c1,-1.0160630941390991
+Cc1cc(Br)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-0.9783704280853271
+O=C(N[C@H]1CC12CCOCC2)N1CCC[C@H](c2ccccc2)C1,-1.3861868381500244
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc2ccccc2o1,-1.1439772844314575
+Cc1ccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)cc1,-1.2282569408416748
+O=C(Nc1ncccc1Cl)c1ccc(-c2cccc(F)c2)nc1,-0.75901198387146
+Cc1ccc(NC(=O)[C@@H](C)N(C)c2ccc(Cl)cc2)cc1,-1.0766037702560425
+Cc1cc(Br)ccc1C[C@H](C)NC(=O)C[C@@H]1CCCCO1,-1.2129443883895874
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5038204193115234
+Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-0.9741141200065613
+Cc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2ccccc2n1,-0.46436622738838196
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.152485966682434
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.214704990386963
+CCN1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2C)CC1,-1.265177607536316
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.1783334016799927
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.0952953100204468
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0199556350708008
+COc1ccc(C(=O)N2CCN(c3ccccc3)[C@H](C)C2)cc1,-1.1286602020263672
+O=C(CN1CCCC1=O)Nc1ccccc1-c1ccccc1,-1.452214241027832
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(F)c1F,-1.1494745016098022
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.142166256904602
+Nc1ccc(Nc2cccc(C(=O)N3CCOCC3)c2)c(Br)c1,-0.9914135336875916
+C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-1.0805946588516235
+C[C@@H]1CN(C(=O)Nc2ccccc2Br)C[C@@H](c2ccccc2)O1,-1.1323579549789429
+Cn1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9986208081245422
+O=C(NCc1ccccc1)N1CCC[C@H](CCCO)C1,-1.6184760332107544
+C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1,-1.1018377542495728
+CCCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1,-1.6167793273925781
+Cc1ccc(NC(=O)c2ccc(CC(C)(C)O)cc2)cn1,-1.4755685329437256
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1,-1.2659119367599487
+Nc1ccc(CNC(=O)C(=O)c2ccc(F)cc2)cc1,-1.3139712810516357
+Cc1cc(CNC(=O)c2cc(F)cc3cccnc23)on1,-1.007484793663025
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1867058277130127
+CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(Cc2ccccc2)cc1,-1.4850863218307495
+C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.2163008451461792
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3561904430389404
+Cc1ccc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1,-0.9734357595443726
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(F)c1,-1.011648416519165
+OC1(Cc2ccccc2)CC[NH+](Cc2cccc(Br)c2)CC1,-1.4619938135147095
+Cc1nc(C[NH+]2CCN(Cc3ccc(Br)cc3F)CC2)no1,-0.8021898865699768
+CC[NH+]1CCC(NC(=O)Nc2ccc(C)s2)CC1,-1.5562312602996826
+Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.312935471534729
+O=C(Nc1ccc(N2CCCCC2)cc1)N1CC(F)(F)C1,-1.1959114074707031
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1812348365783691
+CC(=O)Nc1ccc(COc2ccccc2)cc1,-1.6984632015228271
+c1ccc(-c2noc(C[NH+]3CCCC[C@@H]3C3CCCCC3)n2)cc1,-1.1504850387573242
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(Br)cc1,-1.1883023977279663
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1O,-1.1558197736740112
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2855098247528076
+CCOc1ccccc1NC(=O)c1ccc(C)o1,-1.6326191425323486
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-1.0367742776870728
+Cc1ccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)s1,-1.0451611280441284
+Fc1cc(NCc2ccccc2)cc(N2CCOCC2)c1Cl,-1.079110026359558
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-1.043289065361023
+CC1CCN(c2ccccc2NC(=O)c2ncccc2Cl)CC1,-0.8182262778282166
+CC(C)(CO)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-1.3110809326171875
+Cc1nc2ccc(C(=O)NCc3ccc(I)cc3)cc2s1,-0.7366559505462646
+O=C(Nc1ccccc1F)[C@H]1CC[NH2+]C[C@H]1c1ccc(Cl)cc1,-0.9386545419692993
+Cc1ccc(C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.1609642505645752
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2391914129257202
+CC(=O)N1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1,-0.8740314841270447
+Cc1noc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)n1,-1.1089791059494019
+O=C(Cc1ccc(N2CCOCC2)cc1)N1CCCC2(CC[NH2+]CC2)C1,-1.3016270399093628
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.1429067850112915
+CN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2)C1=O,-1.1595278978347778
+C[NH+]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1,-1.33419668674469
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-1.0612443685531616
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2ccccc2Cl)C1,-0.8956611156463623
+O=C(Nc1ccc(Br)cc1O)c1ccc(N2CCOCC2)cc1,-1.0554838180541992
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.030634880065918
+CC(=O)c1ccc(CC(=O)Nc2ccc(C)nc2)cc1,-1.3696677684783936
+Cc1cc(N)ccc1C(=O)NC[C@@H]1CCC2(CCCC2)C1,-1.3929330110549927
+O=C1CCC(NC(=O)N2CCCC[C@H]2c2ccccc2)CC1,-1.3243978023529053
+[NH3+][C@H](C(=O)NCc1ccc(F)cc1F)c1ccc(Br)cc1,-0.8218433856964111
+NC(=O)C[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1,-1.3284271955490112
+Fc1ccc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cc1,-1.170967936515808
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1665014028549194
+Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCN(C)CC2)cc1,-1.3382562398910522
+O=C(NCc1ccc(Cl)nc1)N1CCC2(CCOCC2)C1,-1.4193302392959595
+O=C1C[C@H](CNc2ccc(F)cc2)CN1c1ccccc1,-1.3660039901733398
+CC(C)[NH+]1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1,-0.8891251683235168
+Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2C)cc1,-1.0887826681137085
+O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5116755962371826
+CCc1ccc(F)c(NC(=O)N2CCC[C@@H](CC)C2)c1,-1.1658434867858887
+Nc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1821365356445312
+O=C(C[NH+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccccc1F,-1.0473830699920654
+C[NH+]1CCCC2(CCN(C(=O)NCc3ccccc3)C2)C1,-1.5617363452911377
+CCCc1noc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1,-0.8363998532295227
+O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccccc2)CC1,-1.0494959354400635
+CC(C)(C)CCCCNC(=O)c1ccc(N2CCOCC2)cc1,-1.4983158111572266
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(O)cc2)CC1,-1.1477793455123901
+O=C(N[C@@H]1CCCC[C@H](c2ccccc2)C1)c1ccc(F)cc1,-1.1982563734054565
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)cc1,-0.9774999022483826
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.8998762369155884
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485284447669983
+O=C(CC1CCOCC1)Nc1ccc(N2CCOC2=O)cc1,-1.517890214920044
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9963918924331665
+Nc1ccc(C2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.3502771854400635
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3123936653137207
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3618919849395752
+O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2[nH]1,-0.8921241164207458
+O=C(Nc1ncccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,-0.7269096374511719
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9934356808662415
+O=C(NCCCO)c1cccc(Oc2ccccc2)c1,-1.6795414686203003
+CC(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1,-1.2392574548721313
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.092502474784851
+O=C(NC1CCN(c2ccccc2)CC1)c1cccc(F)c1Cl,-0.854228675365448
+O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.5057100057601929
+Cc1cc(S(C)(=O)=O)ccc1NC(=O)N1CCOC2(CC2)C1,-1.356865644454956
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1ccccc1F,-0.9813095927238464
+O=CN1CCN(CCc2ccccc2)CC1,-1.7720547914505005
+O=C(COc1cccc(Cl)c1)Nc1ccc2[nH]ncc2c1,-1.2514437437057495
+Brc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.0538238286972046
+Fc1ccc(CNc2ccc(Br)cc2N2CCOCC2)cc1,-1.0663894414901733
+CC(C)N=C(O)COc1ccc(C(=O)N2CCSCC2)cc1,-1.4385433197021484
+C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)C)cc2)CC1,-1.4499965906143188
+Fc1ccc(NCc2ccccc2N2CCOCC2)cc1F,-1.1331212520599365
+CC1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.4590333700180054
+Cc1cc(F)ccc1NC(=O)C1CC[NH+](C2CCCCC2)CC1,-0.9563175439834595
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4900331497192383
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1317816972732544
+O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1,-0.9700769186019897
+Cn1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9908003211021423
+C[C@@H](CC(=O)Nc1ccc(-n2cccn2)cc1)c1ccccc1,-1.3885987997055054
+O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-c2ccc(F)cc2)nc1,-0.9927974939346313
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1F,-0.9295042753219604
+C[NH+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1,-1.1161766052246094
+O=C(Cc1ccc(Br)cc1)Nc1ccnn1C1CCCC1,-1.1685295104980469
+Clc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1,-1.1157904863357544
+CCOC(=O)C(=O)N1CCN(c2coc3ccccc23)CC1,-1.2103784084320068
+Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)s1,-0.6909353733062744
+CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCC(=O)N3)CC1,-1.4071170091629028
+Nc1ccc(CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1,-1.5466185808181763
+Cc1cccc(N2C[C@@H]([NH2+]Cc3ccccc3)CC2=O)c1,-1.5037269592285156
+Cc1ccc(N=C(O)CN2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1,-0.893602192401886
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.0712145566940308
+Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1,-0.9518314599990845
+Cc1ccc(C(=O)N[C@H]2CC[C@@H]2c2ccc(Br)cc2)cn1,-1.0249228477478027
+CC(c1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1,-1.4134808778762817
+Nc1ccccc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.9969277381896973
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.047855019569397
+C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1,-1.0685652494430542
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0125445127487183
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0292190313339233
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3202067613601685
+Cc1ccccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-1.1685630083084106
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.3873900175094604
+CCNC(=O)[C@@H]1CCCCN1C(=O)C1CCCCC1,-1.4173693656921387
+Cc1cc(CNC(=O)C2CCCCC2)ccc1[N+](=O)[O-],-1.4746603965759277
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Cl)cc2[nH]1,-0.9647432565689087
+Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)on2)cc1,-1.2140597105026245
+CC1CN(c2ccc(OCc3ccccc3)cc2)CCN1C,-1.3855966329574585
+CC(C)[C@@H]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2)C1,-1.0597023963928223
+Cc1ccc(-c2cc(Cl)ccc2NCc2ccccc2)cc1,-1.288047194480896
+Fc1ccc(CC2CCCN(Cc3ccc(F)cc3)C2)cc1,-1.2583051919937134
+CCOc1ccc(N[C@H](C)c2ccc(Br)cc2)cc1,-1.4754194021224976
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-0.9539352059364319
+O=C(Nc1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,-0.9048060774803162
+C[NH+]1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.1894795894622803
+O=C(N[C@H]1CC=CCC1)N1CCN(c2cccc(F)c2)CC1,-1.2711766958236694
+COc1ccc2c(c1)C[C@H](C)O2,-1.8129395246505737
+Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1,-1.2874749898910522
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1529771089553833
+c1ccc(CN2CCC(c3nnnn3-c3ccccc3)CC2)cc1,-1.0851048231124878
+CC(=O)Nc1cccc(NCc2ccccc2)c1,-1.6887975931167603
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)[nH]1,-1.160294532775879
+COc1ccc(CNC(=O)c2csc(Br)n2)cc1,-1.2594010829925537
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-0.9471765160560608
+C[NH+]1CCC[C@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-1.0399421453475952
+O=C(CC1CCCCC1)N[C@H]1CCN(c2ccccc2)C1=O,-1.3987056016921997
+C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1,-1.4175591468811035
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1,-0.9359300136566162
+Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(C)c1,-1.0149067640304565
+Nc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1,-1.0558083057403564
+CCc1ccc(NC(=O)N2CCO[C@@H](C3CCOCC3)C2)cc1,-1.5266658067703247
+Fc1cccc(-c2nc(COc3ccc(Br)cc3F)no2)c1,-0.817794144153595
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9857302904129028
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238741397857666
+CC1(C)CCCC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2433687448501587
+O=C(N[C@@H]1CC12CCCCC2)c1cccc(C(F)(F)F)c1,-1.2159627676010132
+Cc1ccc(CN2CCN(C(=O)[C@H]3CCCC[C@@H]3O)CC2)cc1,-1.1702780723571777
+Cc1ccc(OCc2ccc(F)cc2)c(-c2ccccc2)c1,-1.3048700094223022
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.898315966129303
+c1ccc(CSc2nc(-c3ccccc3)c3ccccc3n2)cc1,-0.9166825413703918
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.9994822144508362
+CCc1cc(N)ccc1C(=O)N1CCN(c2ccccc2)CC1,-1.009911060333252
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.0503144264221191
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)s1,-0.9314452409744263
+O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ccccc2)CC1,-1.3748666048049927
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.3089619874954224
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2988466024398804
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1,-1.063323974609375
+O=C(NCc1ccc(F)cc1)N1CC[C@@H]2CC[C@@H](O)[C@H]2C1,-1.0836565494537354
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.4353628158569336
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9689785838127136
+O=C(Nc1ccc(F)cc1Cl)c1ccc(C2CCCCC2)nc1,-0.6950453519821167
+CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)cc1,-1.0539337396621704
+O=C(Nc1ccc(F)cc1)N1CCCN(c2ccccc2)CC1,-1.2963569164276123
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.047288179397583
+O=C1C[NH+](Cc2ccc(F)cc2O)CCN1Cc1ccccc1,-1.3104134798049927
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.5781570672988892
+O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(F)cc1,-1.1063671112060547
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.484480381011963
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5501258373260498
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0877225399017334
+Cc1cccc(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)c1,-1.0386111736297607
+Cc1ccc(-n2ncnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1,-0.723064661026001
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1,-0.9187495112419128
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9705575704574585
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1252992153167725
+Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(N)c1,-1.1543781757354736
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6485127210617065
+CC(C)C(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1,-1.143640398979187
+C[C@@H]1CN(C(=O)c2ccccc2)CC[NH+]1CCc1ccccc1,-1.3850849866867065
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0354204177856445
+O=C(c1ccc(Nc2ccc(F)cc2F)nc1)N1CCCCC1,-0.8609790802001953
+CC1(C)CC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.0615484714508057
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.052043080329895
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,-1.2088502645492554
+O=C(Nc1ccc(-c2ccccc2F)cc1)c1cccc(I)n1,-0.8043185472488403
+C[C@H](CC(=O)NCc1ccc(O)cc1)c1ccc(Br)cc1,-1.3117320537567139
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8980255126953125
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.1934844255447388
+C[C@H]1Cc2cc(C(=O)N(C)Cc3ccccc3)ccc2O1,-1.3236262798309326
+CC(C)Cc1ccc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1,-1.3514213562011719
+C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.090385913848877
+Cc1ccc(F)cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.9456835985183716
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(I)cc1,-1.1232144832611084
+O=C(Nc1ccc(Br)cc1)C1CCCN(c2ccccc2F)C1,-0.8633429408073425
+O=C(NC1CCC(C2CCCC2)CC1)c1ccn2nnnc2c1,-0.742631196975708
+CC(C)CC(=O)NC[C@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.5163522958755493
+Cc1cc(F)ccc1NC(=O)CCOc1ccc(Br)cc1,-1.3614972829818726
+O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(CC(F)(F)F)C1,-1.0142695903778076
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.252681016921997
+Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.1607635021209717
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1505604982376099
+O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccc(Cl)cc1F,-0.7956139445304871
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8260148763656616
+CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.2159299850463867
+O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1=O)C1CCCCC1,-0.9416273832321167
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)c(F)c2)CC1,-1.0759035348892212
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-1.0949602127075195
+CC[C@@H](O)COc1cccc(NC(=O)C(C)(C)F)c1,-1.587224006652832
+CC1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1,-1.4880355596542358
+C[C@@H]1CCN(c2ccccc2C(=O)NC(C)(C)C)C1=O,-1.0698046684265137
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3[NH3+])CC2)cc1,-1.1438002586364746
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
+Fc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)cc1,-1.0820530652999878
+O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-0.936259925365448
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0719389915466309
+O=C(O)COc1ccc(CNC2CCCC2)cc1,-1.685795545578003
+CC1=C(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCCO1,-1.224881887435913
+O=C1Cc2cc(CN3CCN(c4ccc(Br)cc4)CC3)ccc2N1,-0.7990001440048218
+Nc1cccc(NC(=O)NCc2ccccc2)c1,-1.6696799993515015
+COc1ccc(C(=O)N2CCN(c3cccc(N)c3)CC2)cc1,-1.1049697399139404
+CC(C)(O)Cc1ccc(NC(=O)Cc2ccccc2)cc1,-1.58843195438385
+Cc1ccccc1-n1c(O)nnc1SCc1ccc(F)cc1,-0.8718243837356567
+C[NH+]1CCN(c2cccc(C(=O)Nc3ccccc3Cl)c2)CC1,-1.054977536201477
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421340227127075
+C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9301920533180237
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)nc2)cc1,-1.036600112915039
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1399320363998413
+C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1699954271316528
+Nc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.2719382047653198
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.3285629749298096
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0073977708816528
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2732187509536743
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cn1,-1.2414021492004395
+Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2[nH]1,-0.9550582766532898
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0455220937728882
+Cc1nc(NCc2ccccc2)cc(-c2ccc(F)cc2)n1,-0.9846272468566895
+Cc1cc(C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)no1,-0.9651963114738464
+O=C(O)CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-1.3975529670715332
+Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCCC2=O)cc1,-1.053841233253479
+CC(C)(C)CCNC(=O)N[C@H]1COc2ccc(Br)cc2C1,-1.0449172258377075
+CCc1ccc(C(=O)NCc2nc(C)co2)cc1,-1.6007471084594727
+C[C@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)c2)C1,-1.1519203186035156
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0095523595809937
+Cc1nc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)no1,-0.8874478340148926
+O=C(Nc1ccc(I)cc1)N1CCCC[C@@H](c2ccccc2)C1,-1.1158026456832886
+c1ccc(COc2ccc3ccccc3c2-c2ccccc2)cc1,-1.2161083221435547
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.003112554550171
+COc1ccc(CNC(=O)c2cc(Br)sn2)cc1,-1.2572762966156006
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0478593111038208
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.1697944402694702
+C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3808705806732178
+COc1ccc(C[NH+]2C[C@H](O)C[C@@H]2c2ccc(C)cc2)cc1,-1.3455151319503784
+O=C1CCC(O)=NCCCCC[C@@H](Cc2ccc(F)cc2)CCCCN1,-1.0328296422958374
+CC(C)(C)OC(=O)N1CCCO[C@](C)(c2ccccc2)C1,-1.608148217201233
+O=C(Nc1ccc(F)cc1F)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1,-0.9178708791732788
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4894801378250122
+O=C(NC[C@@H](O)c1ccc(F)cc1)C1CC2(CCCC2)C1,-1.4374780654907227
+C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.95438551902771
+Nc1cncnc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-0.8975962996482849
+[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0162042379379272
+Cc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9188355803489685
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2029212713241577
+Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1,-1.498142957687378
+O=C(C[NH+]1CCOCC1)Nc1cc(Cl)ccc1C(=O)[O-],-1.3607255220413208
+Cc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1,-0.9958503842353821
+C[NH+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1,-1.159168004989624
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.7182490825653076
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(F)c1,-0.9807786345481873
+CC1CCN(C(=O)NC[C@H](O)Cc2ccc(F)cc2)CC1,-1.5261517763137817
+CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(F)cc1,-1.5566619634628296
+Nc1ccccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9899663925170898
+Cc1cc(Cl)ccc1Oc1ccc(C(=O)N2CCOCC2)cc1,-1.1084587574005127
+CC(C)CCNC(=O)C(=O)N1CCN(c2ccccc2)CC1,-1.379281997680664
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.1230286359786987
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.981947124004364
+C[NH+]1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1,-1.154072642326355
+O=C(Nc1cc(F)ccc1O)N1CC[NH+](C2CCCCC2)CC1,-1.0310250520706177
+O=C(NC1CC[NH+](c2ccc(Cl)cc2F)CC1)[C@H]1CCCCO1,-0.9987057447433472
+Cn1cc(NC(=O)Cc2cccs2)c(-c2ccccc2)n1,-1.3231890201568604
+O=C(NC1CCCCC1)N1CCCCC[C@@H]1c1ccc(F)cc1,-1.098141074180603
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4378060102462769
+O=C(NC1CCC1)c1ccc(F)c(O)c1,-1.6776106357574463
+Nc1ccc2c(c1)CCN(C(=O)NCCCc1ccccc1)C2,-1.1935837268829346
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)cc1,-0.5590859651565552
+CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8501896858215332
+Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)cc1,-1.5224692821502686
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl,-0.7551241517066956
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.0061010122299194
+CCOc1ccc(CN2CCC(C(C)N)CC2)cc1,-1.561987280845642
+O=C(Cc1ccccc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1,-1.3136577606201172
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(Cl)cc2)C1,-0.9691516757011414
+CS(=O)(=O)CCc1ccc(NC(=O)c2ccccc2)cc1,-1.5704119205474854
+Cc1ccc([C@H]2CCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.1659711599349976
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8587655425071716
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)O1,-1.5610020160675049
+CCNC(=O)[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1,-1.4944021701812744
+Cc1ccc(CC(=O)NCc2ccc(C#N)cc2)cc1,-1.6176904439926147
+C[NH+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1,-1.6409348249435425
+CC(C)(C)Oc1ccc(N2CCN(CC(=N)O)CC2)cc1,-1.5330681800842285
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1946756839752197
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0778790712356567
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0275909900665283
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1834980249404907
+C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.666388988494873
+Fc1ccc(CNc2cc(Br)ccc2-c2ccccc2)cc1,-1.194956660270691
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9791529774665833
+CC(C)C(=O)NC1(C)CC[NH+](Cc2ccccc2F)CC1,-1.255959391593933
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.3674362897872925
+Cc1cc(NC(=O)c2ccc(-c3noc(C)n3)cc2)no1,-1.156079888343811
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1O,-1.0694290399551392
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0205357074737549
+C[C@@H]1CN(C(=O)NC2CCCCC2)CCN1c1ccc(Br)cc1,-0.8719536662101746
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1533119678497314
+c1ccc(CNCC2CC(c3ccccc3)C2)cc1,-1.6356111764907837
+CCc1ccc(C[NH+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1,-1.315425992012024
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9692663550376892
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567842483520508
+Cc1ncc(NCC2CCOCC2)c(-c2ccc(Cl)cc2)n1,-0.9687474966049194
+O=C(NCCCCC1CCCCC1)C(=O)N1CCC(O)CC1,-1.52147376537323
+O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC[NH+]2CCCC[C@@H]12,-1.1010665893554688
+Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,-1.040776014328003
+O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0706723928451538
+Cc1cccnc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1,-0.8495962619781494
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2922656536102295
+CC(C)Cc1ccc(N)cc1NC(=O)c1ccc(Br)cc1,-0.9433832764625549
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nc[nH]c2c1,-0.8169801235198975
+COc1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)cc1,-1.3787503242492676
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.4889954328536987
+Cc1nc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n[nH]1,-1.0629687309265137
+O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2s1,-0.8596078157424927
+Cc1csc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1,-0.9759141802787781
+Cc1cc(F)ccc1NC(=O)N1CCSC[C@@H]1c1ccccc1,-0.9019171595573425
+O=C(N[C@H]1CC=CCC1)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.32711923122406
+O=C(Nc1ccccc1Cl)N1CCOC[C@H]1c1ccc(F)cc1,-1.108120322227478
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0036085844039917
+Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Br)cc2)no1,-1.2389155626296997
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1664310693740845
+Cc1cccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)c1,-1.2349218130111694
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-0.99754399061203
+Fc1ccc(NCC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1528841257095337
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.265721321105957
+Cc1ccccc1CN1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1,-1.2119911909103394
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565165281295776
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1,-1.571852207183838
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Br)cc3)CC2)cc1,-1.3170320987701416
+Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1,-1.1176313161849976
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1I,-0.8388912081718445
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n[nH]1,-0.9933439493179321
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1679500341415405
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-1.0009135007858276
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.2166508436203003
+C[C@@H]1CN(c2ccc(CNc3ccccc3)cc2)C[C@H](C)O1,-1.5042552947998047
+O=C(N[C@H]1C[C@@H]1C1CCOCC1)N[C@@H]1CC12CCOCC2,-1.5269179344177246
+CN1C(=O)CC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2161566019058228
+O=C(c1ccc(Cl)cc1F)N1CCC(C[NH+]2CCOCC2)CC1,-0.8997197151184082
+Cc1cc(C(=O)O)c(NCc2ccc(F)c(O)c2)s1,-1.0143365859985352
+Cc1cc(Cl)ccc1NC(=O)c1nnn(-c2ccccc2)c1C,-0.6157044172286987
+CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(F)cc3)s2)CC1,-0.4871830940246582
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1,-1.2055686712265015
+O=C(NCc1ccc(I)cc1)c1ccc2c(c1)CCCC2,-1.1551513671875
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382863521575928
+O=C(NC1CCN(c2ccccc2)CC1)[C@H]1CC12CCOCC2,-1.4257502555847168
+Cc1ccc(F)c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c1,-0.9627458453178406
+CC[NH+]1CCC[C@H](NC(=O)Nc2nc(C)cs2)C1,-1.3860409259796143
+COC(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1,-1.6157981157302856
+CC(C)(O)CC(=O)N[C@@H]1CCCC[C@H]1CC1CCCCC1,-1.5458195209503174
+O=C(CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.3020864725112915
+Fc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2966316938400269
+Cc1cnn(-c2ccc(F)cc2)c1NCc1ccccc1Br,-0.8332239985466003
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-0.9952203631401062
+CC1(C)CN(Cc2ccccc2)CC[NH+]1Cc1ccccc1,-1.5809969902038574
+O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1CCC[C@@H]1c1ccccc1,-1.0827677249908447
+Nc1ccc(NC(=O)NCC2CCOCC2)cc1,-1.659946322441101
+Cn1nccc1C(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1,-0.6505000591278076
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.426649570465088
+NS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1100459098815918
+c1ccc(-c2nc3ccccc3cc2NCC2CCOCC2)cc1,-1.0575356483459473
+Fc1ccc(C[NH+]2CCC(Nc3ccccc3)CC2)cc1Br,-1.116528868675232
+CC(C)Oc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1,-1.0257831811904907
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.0701844692230225
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.139076828956604
+COc1ccc(NC(=O)c2ccc(OC)cc2Cl)cc1,-1.2918434143066406
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1,-0.9355893135070801
+Cc1ccc(N2CCC(N(C)C(=O)C3CCCCC3)CC2)cc1,-1.0213414430618286
+O=C(c1ccccc1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,-1.1454704999923706
+CCOc1ccc(C(=O)N2CCC[C@@H]2CCCO)cc1,-1.5643212795257568
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-1.050168514251709
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9675657153129578
+Fc1ccc(CNc2ccccc2-c2ccc(F)cc2)cc1,-1.1541913747787476
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9881535768508911
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2cccs2)cc1,-0.879368007183075
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9632473587989807
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-0.9730111956596375
+Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1,-1.4322675466537476
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.5088832378387451
+O=C(Nc1ccc(I)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.6450406312942505
+O=C(Nc1cc(O)ccc1Cl)N1CCN(c2ccccc2)CC1,-1.0197606086730957
+Cc1cnccc1C(=O)Nc1ccc(-c2ccc(Br)cc2)cc1,-0.9436073899269104
+C[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.2132219076156616
+Fc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.287269949913025
+C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N2CC[NH+](C)CC2)CC1,-1.1377270221710205
+Nc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1,-1.2335004806518555
+O=C(NCc1ccccc1F)N1CCOC2(CCCCCC2)C1,-1.482813835144043
+O=C([C@@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[C@H]1Cc1ccccc1,-1.2318254709243774
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1636348962783813
+CC1(C)CN(C(=O)NC[C@H](O)c2ccc(Br)cc2)CCO1,-1.430556058883667
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2940874099731445
+Nc1ccc(C(=O)N2CCC3(CCCN(c4ccccc4)C3)CC2)cc1,-1.0419584512710571
+COc1ccc(CCNC(=O)c2ccncc2C)cc1,-1.5812729597091675
+Cc1ccc2nc(C(=O)N3CCC(c4ccc(F)cc4)CC3)ccc2c1,-0.5170037150382996
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2cccc(F)c2)C1,-0.9434709548950195
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1,-1.1328470706939697
+Cc1ccc(NC(=O)CCCOc2ccc(I)cc2)cc1,-1.430463433265686
+CN1CC[NH+](Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C1,-1.2697817087173462
+O=C([O-])[C@H]1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)C1,-1.0143332481384277
+Cn1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cn1,-1.084738850593567
+C[C@H]1CCC[C@@H](C[NH+]2CCN(C(=O)C3OCCc4ccccc43)CC2)C1,-0.8876315355300903
+CN(CCN(C)c1ccccc1)C(=O)NCc1ccccc1Cl,-1.1838411092758179
+O=C(NC1CCOCC1)C1=CC[NH+](Cc2ccccc2)CC1,-1.5529837608337402
+CCC1CCN(C(=O)NCc2csc(C)n2)CC1,-1.2693363428115845
+Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1,-1.043328881263733
+Cc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)c(C)c1,-1.1297283172607422
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.3540118932724
+CSCC(=O)N1CCCC[C@@H]1C(=O)NC1CCCC1,-1.4391014575958252
+Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1N,-0.8844611048698425
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.1100059747695923
+O=C(CCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1,-1.2706137895584106
+O=C(NCc1ccc(F)c(Br)c1)c1ccc2cc[nH]c2c1,-0.9779818058013916
+Cc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.5009781122207642
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1910765171051025
+O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1Cl,-0.9434828162193298
+COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C,-1.1180877685546875
+Cc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.3016130924224854
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2726978063583374
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1642940044403076
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9507911205291748
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(C)CC2)o1,-1.2041819095611572
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.0335769653320312
+Oc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.9941685795783997
+Cc1cc(NCc2csc(-c3ccccc3)n2)c(F)cc1F,-0.7241132855415344
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.108254075050354
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.975106954574585
+Fc1ccc(Br)c(N2CCC(NCC3CCCCC3)CC2)c1,-0.8243606090545654
+CN1C(=O)COc2cc(NC(=O)Cc3ccc(F)cc3)ccc21,-0.9491584897041321
+CCOc1ccc(OCCN2CCC(O)CC2)cc1,-1.6634571552276611
+CC1CCC2(CCCN(C(=O)C(=O)Nc3ccc(Cl)cc3)C2)C1,-1.0012741088867188
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858088970184326
+COc1ccc(CNC(=O)c2csc(C)n2)cc1,-1.44957435131073
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.439149260520935
+COC(=O)c1ccc(N2CCN(C(=O)C(C)CN)CC2)cc1,-1.0857768058776855
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4211492538452148
+C[C@@H]1CCCCCN1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1,-1.0001084804534912
+Cc1nn(C)cc1C(=O)NC1CC(c2ccc(Br)cc2)C1,-0.7500054836273193
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.6720070838928223
+O=C(c1ccc(O)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.256419062614441
+Cc1ccc(CNc2ccc(N)cc2C2CCCCC2)cc1,-1.1640161275863647
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.123855471611023
+Cn1ccc(C(=O)Nc2cc(-c3cccc(F)c3)on2)n1,-1.1137032508850098
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1cc(-c2ccccc2)on1,-1.1213099956512451
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2826777696609497
+NC(=O)NCc1cncs1,-1.891792893409729
+Cc1ccccc1C(=O)N[C@H]1CCC[NH+](C)[C@@H]1c1ccccc1,-1.182020664215088
+Fc1ccc(OC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4130067825317383
+O=C(Nc1ccc(F)c(-c2ccccc2)c1)N1CCC[C@H](F)C1,-0.9778168797492981
+O=C(NC[C@H]1CCOC1)Nc1ccc(F)cc1Br,-1.394974946975708
+CC(O)=Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.8797871470451355
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.0015963315963745
+CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.152938723564148
+Cc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C)CC2)c1,-1.1470229625701904
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)c1,-0.9437586069107056
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1,-1.2200677394866943
+O=C(NCc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[C@@H](F)C1,-0.7789459228515625
+CC(C)Oc1ccc(NC(=O)C(C)(C)C(C)N)cc1,-1.4480841159820557
+CC(C)Oc1ccc(NC(=O)C2CCCN2)cc1,-1.6329509019851685
+O=C(Cc1ccccc1)NCc1ccc(Cl)cc1,-1.6227425336837769
+Fc1ccc(COc2cc(Br)ccc2-c2ccccc2)cc1,-1.1023253202438354
+O=C(NCc1cccc(F)c1)N1CCOC2(CCCC2)C1,-1.5504025220870972
+CC(C)(CO)C(=O)c1ccc(OCc2ccccc2)cc1,-1.5677472352981567
+c1ccc(N2CCN(Cc3nncn3-c3ccccc3)CC2)cc1,-1.1571227312088013
+Cc1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cc1,-1.102044939994812
+COc1ccc(N2CCN(C(=O)c3ccc([NH3+])cc3)CC2)cc1,-1.168349027633667
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Br)CC2)cn1,-0.9064102172851562
+C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9497897624969482
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2390062808990479
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5154229402542114
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.091266393661499
+CC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccccc2)CC1,-1.1541887521743774
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.216347336769104
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.9093016386032104
+CC1CN(c2ccc(OCc3ccccc3)cc2)CC(C)N1,-1.3374475240707397
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.362843632698059
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2371602058410645
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.578159213066101
+COc1ccc(C(=O)NC[C@H]2CCCCC[C@@H]2[NH3+])cc1,-1.5071122646331787
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6441891193389893
+CCCCc1ccc(NC(=O)NC2CCCCC2)cc1,-1.6101549863815308
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.983392596244812
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-1.028407335281372
+O=C(Nc1ccc(-c2cccs2)cc1)N1CC[NH+]2CCC[C@H]2C1,-1.0734598636627197
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3460112810134888
+O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cccc(F)c1,-1.0402928590774536
+O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-1.0641109943389893
+CCc1ccc(NC(=O)N2CCc3cc(C)sc3C2)cc1,-0.9565945267677307
+Cc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1,-0.8697998523712158
+Cc1cc(F)ccc1C(=O)N1CCC(CC2CCOCC2)CC1,-1.030563473701477
+O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1Br,-1.2422618865966797
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F,-0.8711827397346497
+O=C(COc1ccc(O)cc1)Nc1nc2ccccc2s1,-1.2659798860549927
+Cc1cccc(NCc2ccc(N)cc2)c1,-1.6969802379608154
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.239583134651184
+Cc1ccc(OC2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2423808574676514
+COC(=O)c1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1,-1.4145395755767822
+Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cn1,-1.1916751861572266
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[nH]ccc2c1,-1.1157138347625732
+O=C(Nc1ccccc1O)C1CCC(c2ccc(F)cc2)CC1,-1.0421605110168457
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1436253786087036
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1456778049468994
+CCOc1ccc(NC(=O)c2ccc(N)s2)cc1,-1.5718624591827393
+Cc1ccc(-c2ccccc2)c(NCc2cccc(Cl)c2)c1,-1.1728266477584839
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1,-1.1794323921203613
+O=C(Nc1cccnc1-c1nn[n-]n1)N1CC2(CCC2)C1,-1.098899245262146
+C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2)C1,-1.209905982017517
+C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6637284755706787
+COc1ccc(CNC(=O)c2ccc(F)s2)cc1,-1.5381561517715454
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[S+]([O-])CC1,-1.394380807876587
+CCCC(C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,-1.478548526763916
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1172492504119873
+Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9872316718101501
+O=C(c1ncccc1O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9792850017547607
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1130998134613037
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.672364354133606
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0854129791259766
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0841960906982422
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1431081295013428
+O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)N1CCCCC1,-1.3013548851013184
+Cc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2[nH]1,-1.00198233127594
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2ncsc2c1,-1.00359046459198
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1,-1.102795958518982
+[NH3+]c1ccccc1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.119279146194458
+O=C(Cc1ccco1)N1CCN(C(=O)c2ccccc2)CC1,-1.5036380290985107
+Cc1nc(C[C@@H]2CCCN2C(=O)[C@H]2CCC[NH+](C)C2)cs1,-0.9135208129882812
+O=C(Nc1ccn(-c2ccc(F)cc2)n1)[C@H]1CC[C@H](O)C1,-1.1686266660690308
+O=C(Cc1ccc(F)c(F)c1)N1CCN(c2cccc(F)c2)CC1,-0.818340003490448
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)c(N)c1,-1.331152081489563
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1O,-1.2486811876296997
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCCO3)CC2)c(O)c1,-1.3634767532348633
+Fc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1Cl,-1.1233866214752197
+COc1ccc(C(=O)NC(CO)[C@@H]2CCc3ccccc32)cc1,-1.120424747467041
+Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)c(C)c1,-1.0310317277908325
+O=C(NCc1ccccc1)Nc1ccc(Cl)cc1,-1.6241881847381592
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2660075426101685
+O=C1Cc2cc(C(=O)NC[C@H]3CCCCO3)ccc2N1,-1.4540053606033325
+CN(CC(=O)Nc1ccc(F)cc1F)c1ccc(Br)cc1,-0.8414762020111084
+OC(CNCc1cc(F)cc(F)c1)c1ccc(F)cc1,-1.199364423751831
+Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F,-1.2936124801635742
+O=C(NCc1ccccc1)c1ccc(CCCO)cc1,-1.6726635694503784
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.0966377258300781
+O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1O,-1.067950963973999
+Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Br,-0.973541259765625
+CC(C)CN,-2.165426015853882
+CC(C)C(=O)N1CC[C@H](NC(=O)c2cccc(F)c2)C1,-1.1448936462402344
+Cc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0061074495315552
+O=C(NC1CCCCCC1)[C@H]1CCCN(c2cccc(F)c2)C1,-1.160935640335083
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080649137496948
+CC1CN(C)CCN1c1ccc(NC(=O)c2ccccc2)cc1,-1.2496076822280884
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1,-0.9449218511581421
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(O)cc2)CC1,-1.486817479133606
+O=C(NC1CCCC1)[C@@H]1CCCCN1c1nc2ccccc2s1,-0.8476977348327637
+CCNC(=O)N1CCN(C(=O)C2CCCCC2)CC1,-1.449966311454773
+Cc1ccc(C)c(NC(=O)N[C@@H]2CCC3(CCCC3)C2)c1,-1.385031819343567
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.0436725616455078
+CC(C)(C)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.5948448181152344
+O=C1CN(c2ccc(NC(=O)C3CCCCC3)cc2)CCN1,-1.303148865699768
+CC(C)(O)C[NH+]1CCC(NC(=O)N2CCC(F)CC2)CC1,-1.3615038394927979
+Oc1ccc(-c2ccc(OCc3ccc(F)cc3)cc2)cc1,-1.5163592100143433
+N#Cc1ccccc1NC(=O)NCC1CCCCC1,-1.6007349491119385
+COc1cccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1,-1.1925567388534546
+C[NH+]1CCC[C@@H]1C1CCOCC1,-1.840911865234375
+O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.7500430941581726
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2188862562179565
+N=C(O)CN1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.437448501586914
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](C[C@@H]2CCCCO2)CC1,-0.926949679851532
+O=C(c1cccs1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1,-1.1029815673828125
+O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCC12CCCCC2,-1.388969898223877
+Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.2112724781036377
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9620460867881775
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1152960062026978
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.4567815065383911
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3820838928222656
+O=C(NCCc1ccccc1)N1CCOC2(CCCCCC2)C1,-1.572142481803894
+CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1,-1.3939670324325562
+C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1,-1.3502758741378784
+C[C@@H]1CN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1,-1.0240470170974731
+O=C(NCC(O)=NCCC1CCCCC1)c1ccc(F)cc1,-1.3628607988357544
+COc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1,-1.6217057704925537
+O=C(Cc1c[nH]c2cc(O)ccc12)NCc1ccccc1,-1.4387662410736084
+C[C@H]1CN(c2ccc(F)cc2)CC[C@@H]1NC(=O)c1ccccc1,-1.0403649806976318
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4427235126495361
+Nc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3174175024032593
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.026943564414978
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700114965438843
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617055058479309
+Cc1ccc(NCc2ccccc2OCCO)cc1,-1.6318864822387695
+Cc1ccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)c(Cl)c1,-0.9838354587554932
+CN(C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nn1,-0.9105086922645569
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)nc2)cc1,-1.2563053369522095
+Cc1cc2cc(C(=O)NCc3ccc(I)cc3)ccc2[nH]1,-1.0891194343566895
+O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCC[C@H](c2ccccc2)C1,-0.8691633343696594
+O=C(OCc1ccccc1)N1CCC[C@H](CCCO)C1,-1.6805776357650757
+CC(C)(C)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1,-0.8034574389457703
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.973897397518158
+O=C(NC1CCCCCC1)C1CCN(c2ccc(F)cc2)CC1,-1.160671353340149
+O=C(Cc1cccc(O)c1)NCc1cc2ccccc2s1,-1.4872297048568726
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8355048298835754
+CCS(=O)(=O)Nc1ccc(NC(=O)CCCC(C)C)cc1,-1.5641062259674072
+O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)nc1,-1.2862716913223267
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3111612796783447
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.2377450466156006
+Nc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1,-1.1863603591918945
+CS(=O)(=O)c1ccccc1CNCc1ccc(F)cc1,-1.517773151397705
+O=C(Cc1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1,-1.406429409980774
+C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3753072023391724
+Cc1ccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)cc1,-1.425734519958496
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1902040243148804
+O=C(CCC[NH+]1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1,-1.2706143856048584
+C[NH+]1CCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1,-1.3305883407592773
+Cc1cccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccccc2)c1O,-1.15964937210083
+Cc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1,-0.9892332553863525
+O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1,-1.6235471963882446
+Cc1ccc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)c1,-1.1727228164672852
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1,-0.9748759865760803
+Cc1ccc(CN2CC[NH+](CC(=O)c3ccccc3)CC2)cc1,-1.4843499660491943
+O=C(Nc1ccc(-c2ccc(Cl)cc2F)cc1)c1ccccc1,-0.9789963364601135
+O=C(COc1ccc(F)cc1)N1CCCC(C(O)=NC2CC2)C1,-1.1484822034835815
+Cc1ccc(C(=O)Nc2cc(C)n(-c3ccccc3)n2)s1,-1.0696280002593994
+C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1,-1.2179453372955322
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.985092043876648
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2990542650222778
+O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1,-1.5364716053009033
+CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1,-0.9097747802734375
+O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1,-1.1603282690048218
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2,-1.1281886100769043
+COc1ccc([C@@H]2CCCN(C(=O)c3ccc(S)cc3)C2)cc1,-1.2003109455108643
+C[NH+]1CC[C@]2(CCCN(C(=O)NCC3CCCCC3)C2)C1,-1.5271949768066406
+O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1,-1.0224056243896484
+Cc1c(Cl)cccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9666344523429871
+CC1(C)CC(NC(=O)NCC2CCCC2)C1,-1.7084001302719116
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.258814811706543
+CCOc1ccc(NC(=O)c2cc(Br)cs2)cc1,-1.4889354705810547
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1,-1.5248886346817017
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700032711029053
+Cc1cc(I)ccc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1,-0.9429017305374146
+Cc1ccc(CNCc2ccc3c(c2)CC(C)O3)cc1,-1.424246907234192
+O=C(N[C@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.409668207168579
+Cc1ccc(-c2noc(-c3cc(C)n(-c4ccc(C)cc4)n3)n2)cc1,-0.6251357197761536
+O=C(Nc1ccc2nc[nH]c2c1)c1cc(C2CCCCC2)no1,-1.012732982635498
+O=C(NCC(F)(F)F)c1ccc(-c2ccc(Br)cc2)cc1,-0.9588903784751892
+O=C(NCc1ccc(Cl)c(F)c1)c1ccc2[nH]ccc2c1,-0.9046021103858948
+O=C(Nc1ccc(F)cc1Br)C1CCN(c2ccccc2)CC1,-0.8720922470092773
+CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1,-1.2124924659729004
+CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.2874789237976074
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1,-1.4810413122177124
+CC(C)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1,-1.583491325378418
+CC(=O)N1CCN(C(=O)Nc2cccc(N)c2)C[C@@H]1C,-1.2494657039642334
+Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccccc3C)C2)cc1,-1.3496276140213013
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0643773078918457
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1,-0.7288260459899902
+COC(=O)c1cccc(NC(=O)N2CCNCC2)c1,-1.5859183073043823
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.382195234298706
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(O)cc1F,-1.1251115798950195
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565035343170166
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2808157205581665
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6732650995254517
+C[C@H]1CC[C@@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1,-0.9171226620674133
+O=C(NC1CCC(F)(F)CC1)c1ccc(-c2ccccc2)cc1,-1.1392666101455688
+Clc1ccc(Br)c(N2CCC(NCc3ccccc3)CC2)c1,-0.9496766328811646
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccc2)CC1,-1.0409717559814453
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9053465127944946
+O=C(Nc1ccc(Cl)cc1O)c1ccc(C(F)(F)F)cc1,-0.8930947780609131
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.5121710300445557
+c1ccc(CCNCc2nc3ccccc3s2)cc1,-1.507802128791809
+O=C(Nc1ccccc1F)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9577419757843018
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9932497143745422
+c1ccc(Cc2ccccc2C[NH+]2CCOC3(CC3)C2)cc1,-1.555822491645813
+CC(C)N1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1,-0.8024833798408508
+CCOc1ccc(NC(=O)c2ccc(C)o2)cc1,-1.6470437049865723
+O=C(Nc1ccccc1Cl)N1CCN(c2cccc(F)c2)CC1,-0.9133304357528687
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.030786156654358
+CC[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H]1C,-1.0986597537994385
+Cc1cc(N)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.115478515625
+O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc2[nH]ncc2c1,-1.0020815134048462
+Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.0453985929489136
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.084160566329956
+COc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1,-1.3721636533737183
+Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1,-1.1396279335021973
+Cc1cc(NCc2ccc(O)cc2)nc(-c2ccccc2)n1,-1.1354140043258667
+NCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.1056969165802002
+OC(=NOCc1ccccc1)N1CCC(Nc2ccccc2)C1,-1.538028359413147
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ncccc1O,-1.0722581148147583
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9908407330513
+Oc1nc(COc2ccc(Br)cc2)cc(-c2ccccc2)n1,-1.0460184812545776
+CC(C)[C@H](O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.5330322980880737
+CC(C)C(C)(C)c1ccc(C(=O)NC2CCOCC2)cc1,-1.331976056098938
+Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)o1,-1.0207287073135376
+Nc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.0451782941818237
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1[O-],-1.023699164390564
+C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2O1,-1.459557294845581
+COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cc1,-0.7535073757171631
+CC1(C)Cc2cc(NC(=O)Cc3ccc(O)cc3)ccc2O1,-1.5136332511901855
+COc1ccc(CC(C)OCc2ccccc2)cc1,-1.672380805015564
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2197649478912354
+Cc1ccc(C(NC(=O)c2ccccc2)C(F)(F)F)cc1,-1.1955745220184326
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Cl)cc2)cc1,-1.51683509349823
+O=C(NC1CC[NH+]([C@@H]2CCC[C@@H](F)C2)CC1)c1ccccc1Br,-0.8079128861427307
+O=C(CC[NH+]1CCOCC1)Nc1ccc(C(F)(F)F)cc1,-1.4093483686447144
+Cc1[nH]ccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1,-1.0078903436660767
+O=C(Cc1nc2ccccc2s1)NCc1ccc(F)cc1,-1.0674220323562622
+CC(C)CN1C[C@H](NC(=O)c2ccc(Cl)cc2)CC1=O,-1.2021702527999878
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.6447224617004395
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1,-1.1337567567825317
+Cc1nc(CNC(=O)Cc2ccc(I)cc2)sc1C,-0.8633005023002625
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2nccn2c1,-0.8877938985824585
+O=C(c1ccc(O)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1,-1.3867921829223633
+Cc1ccc(NC(=O)C2(c3ccc(F)cc3)COC2)cc1,-1.548376202583313
+O=C(N[C@H]1CCCN(c2cccs2)C1)c1cccc2nc[nH]c12,-0.9070761203765869
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.186806321144104
+c1ccc(Cc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1,-1.2773975133895874
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0926204919815063
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084676742553711
+Cn1ccc(CNC(=O)Cc2ccc(Cl)c(F)c2)n1,-1.0653663873672485
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4438847303390503
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,-1.504141092300415
+O=C(Nc1ccccc1)c1cc(Br)no1,-1.630592942237854
+O=C(NCc1ccc(Cl)cc1)c1noc2ccc(Br)cc12,-0.8292742967605591
+Cc1ccc(N2CCC(C(=O)N3CCN(C)C(C)(C)C3)CC2)cc1,-0.8080610036849976
+Cc1noc([C@H]2CCC[C@H](NC(=O)c3cc(C)on3)C2)n1,-1.0318018198013306
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3F)C2)cc1,-1.0374583005905151
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.0680265426635742
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.2834259271621704
+CN1C[C@H](C(=O)Nc2cccc(C3CC3)c2)CCC1=O,-1.1572271585464478
+O=C(Nc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1,-0.972482442855835
+c1ccc(CN2CCN(c3noc(-c4ccccc4)n3)CC2)cc1,-1.4315447807312012
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.117776870727539
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1,-1.056093692779541
+Cc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.1689773797988892
+Cc1ccc(CNC(=O)N2CCC(CO)CC2)s1,-1.5997159481048584
+Cc1ccc(C(=O)N2CCC(N3CCCc4ccccc43)CC2)cc1C,-0.5609841346740723
+CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(OCC)cc1,-1.495734453201294
+C[NH+]1CCN(c2ccccc2C(=O)Nc2ccccc2Cl)CC1,-0.9551985263824463
+CC(C)(C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1,-1.3348084688186646
+Cc1ccc(NC2CCN(C(=O)c3ccccc3C)CC2)nn1,-0.8772720098495483
+NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1,-1.0485398769378662
+Cc1cc(C(=O)Nc2ccc(-c3ccc(C)s3)cc2)no1,-1.155694842338562
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826583623886108
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.348167061805725
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.24735689163208
+Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2ccccc2)c(Cl)c1,-0.8810873031616211
+Nc1ccccc1C(=O)N[C@@H]1CCO[C@H](c2cccc(F)c2)C1,-1.0914076566696167
+N=C(O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4067929983139038
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.069270133972168
+Cc1cnc(C(=O)NCc2ccc3c(c2)CCCC3)cn1,-1.0277858972549438
+O=C(NC1CCCCC1)C(=O)N1CCC(n2cccn2)CC1,-1.2468472719192505
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCC(c2ccc(F)cc2)CC1,-1.026556372642517
+O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2Cl)cc1,-0.9335612654685974
+CC(C)[C@H](NC(=O)Cc1cccnc1)c1ccc(F)cc1,-1.4089657068252563
+[NH3+][C@H]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.1034473180770874
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092347264289856
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4471075534820557
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0019845962524414
+Cc1ccc(C(=O)N[C@@H]2CCN(c3cn(C)cn3)C2)cc1,-1.185778260231018
+Cn1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)n1,-0.8711289763450623
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5006171464920044
+O=C(CC[NH+]1CCCC1)NCc1c[nH+]c2ccc(Br)cn12,-1.2118237018585205
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.2055392265319824
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5314804315567017
+O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CC12CCC2,-1.1459298133850098
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2273977994918823
+NC(Cc1ccccc1)C(O)=NCCCC(=O)Nc1ccc(Br)cc1,-1.2687803506851196
+Cc1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1,-1.1225899457931519
+COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,-1.5307658910751343
+O=C(NC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1,-1.503451943397522
+NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1,-0.9696786403656006
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1346813440322876
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc([O-])cc2)CC1,-1.0410124063491821
+Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4992097616195679
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(F)cc1,-1.4580498933792114
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0354186296463013
+CC[C@@H](C)C(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.1147801876068115
+c1ccc(-c2nc(C3CC[NH+](C[C@H]4CCCOC4)CC3)n[nH]2)cc1,-1.1706353425979614
+Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(O)c1,-1.259206771850586
+Fc1ccc(-c2ccc(NCc3ccccc3)cc2)cc1F,-1.1988193988800049
+Clc1ccc(CNc2ccc(N3CCOCC3)c(Br)c2)cc1,-1.0468374490737915
+N#C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCO[C@H](c2ccccc2)C1,-1.2048676013946533
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9591460227966309
+Fc1cc(COc2ccc(Cl)cc2)ccc1-c1ccccc1,-1.1745660305023193
+O=C(NCc1ccc(Br)cc1)c1c[nH]c2ccccc2c1=O,-0.9051910638809204
+O=C(Nc1cc(O)ccc1F)N1CCC(c2ccccc2)CC1,-1.06989586353302
+CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2O)CC1,-1.1818039417266846
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0725492238998413
+C[NH+]1CCC[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1,-1.469635009765625
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0593373775482178
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.844767689704895
+O=C(NCc1ccc(O)cc1)C(=O)c1ccc(Br)cc1,-1.355294942855835
+c1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.054986834526062
+O=C1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1,-1.3003005981445312
+C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H](O)C2)CC[C@@H]1c1ccccc1,-1.130659818649292
+Fc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(Br)cc2)cc1,-1.1403899192810059
+CC(Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1Cl,-0.9144580364227295
+CS(=O)(=O)CCNc1ccc(Cc2ccccc2)cc1,-1.6232922077178955
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1,-1.3039288520812988
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(F)nc1,-1.164616346359253
+Cc1ccc(NC(=O)Cc2ccccc2S(C)(=O)=O)cc1Cl,-1.072493314743042
+Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cn1,-1.1445239782333374
+Cc1cccc(-n2ccc(C(=O)Nc3ccn(C)n3)n2)c1,-1.115159034729004
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(I)cc1F,-0.8356329202651978
+C[C@H]1C[C@@H](NC(=O)c2ccccc2Cl)CCN1c1ccccc1,-1.0506552457809448
+CN1CC[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1=O,-1.1228655576705933
+Cc1nc(-c2ccc(NC(=O)c3csc(C)n3)cc2)no1,-0.9344435334205627
+COc1ccc(NC(=O)CN2Cc3ccccc3C2=O)cc1,-1.266338586807251
+O=C(c1cc(Cl)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.971490204334259
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)sn1,-0.8626319169998169
+O=C1CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc2CN1,-1.0055006742477417
+O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-0.9934089183807373
+Nc1c(F)cccc1C(=O)Nc1ccccc1N1CCCCC1,-0.9013525247573853
+C[C@@H]1CCCN(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)C1,-1.2974755764007568
+O=C(COc1ccccc1)NCc1ccccc1,-1.747053861618042
+CN(Cc1ccccc1)CC1CC1c1ccccc1,-1.6187870502471924
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.18458890914917
+COc1ccc(CNC(=O)[C@H]2CC[C@@H](C)C2)cc1,-1.6599547863006592
+Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)[nH]c2c1,-1.0391006469726562
+O=C(Cc1ccc(F)cc1)NC[C@H]1CC[NH+]2CCC[C@@H]2C1,-1.281592607498169
+CC1(C)CCN(Cc2ccccc2)C(Cc2ccccc2)C1,-1.5195420980453491
+CC(C)(C)CC(=O)NC[C@H](O)Cc1ccc(Br)cc1,-1.512043833732605
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0700087547302246
+Fc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.2748010158538818
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.1514432430267334
+C[C@H](Cc1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1,-1.3462719917297363
+CC(C)N=C(O)COc1ccc(NC(=O)C(C)C)cc1,-1.5251543521881104
+O=C(NCc1ccc2c(c1)CCCC2)[C@@H]1CC12CCCC2,-1.2440506219863892
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Cl)cc2)cc1,-1.0341520309448242
+O=C(Nc1ccc(-c2ccc(Cl)cn2)cc1)c1ccccc1F,-0.8874919414520264
+Cc1ccc(-c2cccc(NC(=O)c3ccccc3O)c2)cc1,-1.1867302656173706
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-0.9915093183517456
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1,-1.3634095191955566
+O=C(c1ccc(F)cc1Br)N1CCN(CC2CCCCC2)CC1,-0.7563600540161133
+COc1ccc(C[NH+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1,-1.4915951490402222
+O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)ccc1F,-1.0732725858688354
+O=C(NC1CCCCC1)N1CCC(O)(c2ccc(F)cc2)CC1,-1.3205357789993286
+O=C(N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)[C@@H]1CC[C@H](F)C1,-0.8981640338897705
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cn2)cc1,-1.4553221464157104
+Cc1cc(Cl)ccc1CSc1nc(-c2ccc(Cl)cc2)no1,-0.6492297053337097
+O=C(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2)CC1,-1.2709033489227295
+O=C(c1ccc(O)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.4723974466323853
+O=C(NCCCCC1CCCCC1)NC1CCOCC1,-1.6676898002624512
+C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0838661193847656
+C[C@@H]1CN(c2ccc(Cl)cc2)CCN1C(=O)NC1CCCCC1,-0.8953445553779602
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2525314092636108
+O=C(CCN=C(O)Cc1ccccc1)NCc1ccccc1,-1.6000025272369385
+C[NH+]1CCC[C@H](NC(=O)NCC2CCCCC2)C1,-1.643957495689392
+Cc1coc(C(=O)NC2(c3ccc(O)cc3)CCCC2)c1,-1.5163097381591797
+C[C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.4656418561935425
+C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1,-1.2902134656906128
+Cc1cc(NC(=O)N2CCC[C@H](C(=O)O)C2)ccc1O,-1.2766704559326172
+O=C(c1cccc(F)c1F)N1CCN(Cc2ccccc2)CC1,-0.9898689985275269
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.168178677558899
+CC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.676533818244934
+O=C(c1ccccc1F)N1CCC(Oc2cccc(F)c2)CC1,-1.0766212940216064
+O=C(NC1CCOCC1)c1ccc(-c2cc(F)ccc2F)cc1,-1.0105466842651367
+Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1C,-1.136264443397522
+Cc1ccc(Br)c(CC(=O)NCc2ccc(Br)cc2Cl)c1,-0.7303441166877747
+O=C(NCc1nc2ccc(F)cc2s1)c1ccc(O)cc1,-0.9772782921791077
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.8881464600563049
+O=C(NC[C@@H]1CCCSC1)Nc1ccc(F)cc1,-1.6128606796264648
+CC(C)(C)c1ccc(NC(=O)N2CCCC(=O)C2)cc1,-1.3665319681167603
+Fc1cccc(N2CCC(NCc3ccc(Cl)cc3)CC2)c1,-1.0659160614013672
+CC[C@H]1CCCN(C(=O)NC[C@@H]2CC[NH+](C)C2)C1,-1.5850799083709717
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCN3)C1,-1.267118215560913
+Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cc1,-1.060250163078308
+CSc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.1513690948486328
+O=C1[C@@H](OCc2ccccc2)CCN1c1ccc(Br)cc1,-1.464431881904602
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.8998111486434937
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.1153972148895264
+O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(c2ccccc2)C1,-1.4398401975631714
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)CC2)C1,-1.5596590042114258
+Cc1ccc(C[NH+]2CCN(C(=O)c3cccnc3C)CC2)cc1,-1.151482343673706
+O=C(NCc1ccccc1Cl)N1CCOCC2(CCCCC2)C1,-1.4726604223251343
+Cc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1C,-1.1884757280349731
+O=C(Nc1ccc(-c2ccccc2)nc1)c1ccc(F)cc1F,-0.9413130879402161
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1,-1.1288090944290161
+O=C(NCC1CCN(C(O)=NC2CC2)CC1)C1CCOCC1,-1.3535898923873901
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,-1.0040558576583862
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1,-1.1090588569641113
+O=C(Nc1ccc(-c2ccsn2)cc1)NC1CC1,-1.5992884635925293
+Nc1c(C(=O)NCc2ccc(F)cc2)sc2c1CCCC2,-0.7286329865455627
+CCCCc1ccc(C(=O)NCc2ccccc2)cc1,-1.6197642087936401
+O=C(NC1CC(O)C1)N1CCCC[C@@H]1c1ccc(F)cc1,-1.3047457933425903
+Cc1ccc(NC(=O)N2CCC[NH+](C3CCOCC3)CC2)cc1,-1.440361499786377
+Cc1coc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)c1,-1.2056273221969604
+O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCCC1,-1.2064955234527588
+Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1,-1.0747191905975342
+Cc1cccc(S(=O)(=O)NC(=O)[C@H](C)c2ccc(F)cc2)c1,-1.3247116804122925
+c1ccc([C@@H]2CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)cc1,-1.3819695711135864
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0212113857269287
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.1837745904922485
+CN(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1238653659820557
+O=C(Cc1cccc(O)c1)NCc1nc2ccccc2s1,-1.1678189039230347
+c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.4989711046218872
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.136916160583496
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.2835139036178589
+O=C(NC1CC2(CCC2)C1)c1ccn(-c2ccccc2)n1,-1.454055666923523
+O=C(Nc1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1,-1.240641713142395
+CN1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1=O,-1.2937800884246826
+O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9015105366706848
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c1,-1.0295019149780273
+Cc1ccc(NC(=O)N2CCC(c3ccccc3C)CC2)cc1,-1.077858328819275
+Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0425584316253662
+Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1,-1.4654511213302612
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4496594667434692
+C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1,-0.8899296522140503
+O=C(Nc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1,-1.028010606765747
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)no1,-1.0271689891815186
+CCOc1ccc(C(=O)NC2CCCC2C#N)cc1,-1.605004906654358
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3165278434753418
+O=C1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1,-1.4376683235168457
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,-1.1756947040557861
+O=C(Cc1ccc(Cl)c(F)c1)N1CCN(c2cccc(Br)c2)CC1,-0.6634963154792786
+O=C(N[C@H]1CCC(F)(F)C1)c1csc(C2CCCCC2)n1,-0.8963629603385925
+Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2O)s1,-1.5630252361297607
+O=S1(=O)CCC(C(O)=Nc2ccccc2OCc2ccccc2)C1,-1.4957751035690308
+O=C(NCCN=C(O)Cc1ccccc1)c1ccc(F)cc1,-1.5087387561798096
+O=C(CNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1,-1.326461672782898
+Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1Br,-1.0328327417373657
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.148726224899292
+Cc1nc(-c2ccc(CNCC(O)=NC(C)C)cc2)no1,-1.2257933616638184
+C[NH+]1C[C@H](NC(=O)c2ccccc2I)CC[C@@H]1c1ccccc1,-1.0199841260910034
+O=C1Cc2cc(C(=O)NCc3ccccn3)ccc2N1,-1.3044599294662476
+Cc1ccc(OCc2ccccc2)c(-c2ccc(F)cc2)c1,-1.4522756338119507
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(N)c1,-1.1199355125427246
+O=C(O)C(=O)NCc1ccc(-c2cccc(Cl)c2)cc1,-1.5224038362503052
+O=C([C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H](C2CCOCC2)C1,-0.8196927309036255
+Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1,-1.4435083866119385
+O=C(NCc1ccccc1)N1CCC(C2=CC[NH2+]CC2)CC1,-1.508975863456726
+O=C(Nc1ccc([S-])cc1)N1CCN(CC(F)(F)F)CC1,-1.0468336343765259
+O=C(Cc1nc2ccc(Cl)cc2s1)NCC1CCCCC1,-0.823977530002594
+Cc1ccc([C@H](O)CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,-1.3772648572921753
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5727440118789673
+COc1ccc(CNC(=O)C2CCC(C)O2)cc1,-1.6468160152435303
+C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(F)cc1,-0.4943162202835083
+CC(C)c1ccc(NC=O)cc1,-1.8432389497756958
+O=C(Cc1ccc(O)cc1)NCCCc1ccc(F)cc1,-1.5895100831985474
+Cc1cnc(NC(=O)N2CCC[C@@H](c3cnn(C)c3)C2)s1,-0.8916709423065186
+O=C(Nc1cnn(-c2ccc(O)cc2)c1)N1CC[C@@H](F)C1,-1.1908438205718994
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4493355751037598
+O=C(Nc1ccc(N2CC[C@@H](Br)C2=O)cc1)c1ccccc1,-1.0711748600006104
+CC(NC(=O)N1CCC[C@H](c2ccccc2)C1)C(F)(F)F,-1.046311855316162
+Cc1cc(OCc2ccccc2)cc(-c2ccccc2)c1C,-1.2901651859283447
+O=C([O-])[C@@H]1CCCCN1C(=O)COc1ccc(Br)cc1,-1.302589774131775
+Clc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.101636528968811
+O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]ccc2c1,-1.4856929779052734
+O=C1C[C@@H](C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCN1,-1.2806860208511353
+O=C(NCc1c[nH]nn1)c1ccccc1,-1.7870949506759644
+Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.0544222593307495
+O=C(CN=C(O)CCc1ccccc1)OCc1ccccc1,-1.6217563152313232
+O=C(Nc1cccc2ncccc12)N1CC[C@H](c2cccs2)C1,-0.9486724734306335
+Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)s1,-1.0590444803237915
+OC(COc1ccc(-c2nn[nH]n2)cc1)=NCc1ccccc1,-1.3114900588989258
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2505545616149902
+C[C@@H]1C[C@H](NC(=O)Cc2ccccc2)CC[C@@H]1[NH+]1CCCCC1,-1.3131922483444214
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.1162585020065308
+Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)s1,-0.6952950358390808
+CC1(C)C[C@H](NC(=O)N2CC[C@@H]2c2ccccc2)CCO1,-1.5274993181228638
+O=C(NCC1CCOCC1)Nc1ccc(Br)cn1,-1.5191608667373657
+Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)cc1,-1.0979052782058716
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(N)cc2)CC1,-1.1602851152420044
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)[C@H]1CCCOC1,-1.0367259979248047
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-1.0099791288375854
+O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2F)CC1,-0.6374892592430115
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(O)cn1,-1.1702003479003906
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.528605341911316
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9683626294136047
+Cc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1,-1.515680193901062
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2758101224899292
+CC(C)[C@H]1CCC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1,-1.1373628377914429
+CC(C)C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1,-1.0688763856887817
+Cc1ccc(OCCOc2ccc(F)cc2[N+](=O)[O-])cc1,-1.4718247652053833
+Cc1ccc(OCC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1,-1.4238808155059814
+C[C@@H]1C[NH+](Cc2ccc(CN3CCOCC3)cc2)C[C@H](C)O1,-1.5228890180587769
+O=C(c1ccccc1F)N1CCN(Cc2cccc(F)c2)CC1,-1.1182670593261719
+CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(F)c2)C1,-1.023508071899414
+CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2832714319229126
+COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.9934788346290588
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)no1,-1.220115065574646
+Nc1nc(Cl)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.7816178202629089
+Cc1ccc(C)c(NC(=O)N2CCCC[C@@H]2c2ccccc2)c1,-1.0944490432739258
+O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.3147399425506592
+OC(CN1CCCC1NCc1ccc(Br)cc1)=NC1CC1,-1.1946368217468262
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5262010097503662
+Cc1cccc(NC(=O)NCC2CCOCC2)n1,-1.636948585510254
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0629814863204956
+C[C@H](NC(=O)CCc1ccc(Br)cc1)c1ccc(O)cc1,-1.3111554384231567
+O=C(c1ccccc1F)N1CCC[C@H](Oc2ccc(Cl)cc2)C1,-1.0081392526626587
+CC(C)c1ccc(NC(=O)N2CCC3(CCO3)CC2)cc1,-1.5501737594604492
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.984068751335144
+CC(C)(C)C(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1,-1.0071163177490234
+Cc1ccc(-n2nc(C)cc2C(=O)NC2CCCC2)cc1,-1.0722485780715942
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2747514247894287
+C[C@@H]1CN(Cc2ccc(Br)cc2)CC[NH+]1Cc1ccccc1,-1.4228935241699219
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5005974769592285
+Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C2CCOCC2)ccc1Br,-0.9989315867424011
+O=C1NCc2ccccc21,-1.9442758560180664
+Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Br)c1,-0.9570122957229614
+CC(C)(O)CSc1ccc(Sc2nc3ccccc3s2)cc1,-1.0155235528945923
+O=C(c1cccc(F)c1F)N1CCC(Cc2ccccc2)CC1,-0.970842182636261
+COc1c(CN2CCC(c3ccc(F)cc3)CC2)cnn1C,-1.0530086755752563
+O=C(CCCc1ccccc1)Nc1ccc(-n2cncn2)cc1,-1.4958959817886353
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.630250334739685
+O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-0.8512879014015198
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1F,-1.1479202508926392
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.073419451713562
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9780972599983215
+Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2[nH]1,-0.9744189977645874
+O=C1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2)C1,-1.4885178804397583
+C[NH+]1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.338961124420166
+CCC(C)(O)C[NH+]1CCC[C@@H](NC(=O)c2ccc(C)o2)C1,-1.5396648645401
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3202179670333862
+O=C([O-])c1ccc(N2CCN(C(=O)c3ccns3)CC2)cc1,-1.031512975692749
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H](c2ccccc2)C1,-0.9784191250801086
+O=C(Nc1ccc(N2CCOCC2)cc1Cl)c1ccc(O)cc1,-1.070249080657959
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.25852632522583
+C[NH+]1CCC2(CCN(C(=O)NCc3ccccc3)C2)CC1,-1.562458872795105
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1604608297348022
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c([O-])c1,-1.1684757471084595
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.082648754119873
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1505929231643677
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4327443838119507
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1F,-1.101272463798523
+O=C(c1ccc(F)c2cccnc12)N1CCN(c2ccc(Cl)cc2)CC1,-0.325089693069458
+Cc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1,-1.0596168041229248
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1613765954971313
+Cc1ccc([C@H]2CCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)cc1,-0.8127738237380981
+[NH3+][C@H]1CCCN(c2ccc(NC(=O)c3ccccc3I)cc2)C1,-0.9182168245315552
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[C@H](F)C1,-0.9857901930809021
+Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1914970874786377
+CC(C)c1ccc(C(=O)N[C@@H]2CC[C@]3(CCOC3)C2)cc1,-1.4560744762420654
+C[NH+]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1449475288391113
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-1.0342965126037598
+Cc1cc(NCC2CCCCC2)nc(-c2ccc(F)cc2)n1,-0.9901185631752014
+O=C(COc1ccccc1)NC[C@@H](O)c1ccccc1,-1.6632639169692993
+NC(=O)[C@H]1CCC[NH+](CC(=O)Nc2ccc(Cl)cc2)C1,-1.260421633720398
+COC[C@@H]1CCCN(C(=O)N[C@@H]2CC23CCC3)C1,-1.6090267896652222
+COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1Br,-0.8595592975616455
+CCc1ccc(C(=O)NCc2ncc(C)s2)cc1,-1.3491346836090088
+Cc1ccc(N2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)cc1,-0.5231131911277771
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C[C@@H]2C)c1,-1.1065776348114014
+Clc1ccc(CNC2CCCCC2c2ccc(Cl)cc2)cc1,-1.0425031185150146
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1,-1.1381303071975708
+O=C1CSc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1,-1.3680914640426636
+CN=C(O)c1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1,-0.8824125528335571
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9209643602371216
+C[NH+]1CCN(C(=O)NCc2ccccc2F)CC(C)(C)C1,-1.1645933389663696
+C[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H](C)O1,-0.772408127784729
+Nc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)cc1,-0.8855957984924316
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C)cc3)C2)cc1,-1.1341506242752075
+O=C(C[C@H]1CCCCO1)NC1CCN(c2ccccc2Cl)CC1,-1.3285695314407349
+O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1=O)c1ccccc1,-1.170455813407898
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1109122037887573
+C[C@H]1CCCN(C(=O)NC[C@H](O)Cc2ccc(O)cc2)C1,-1.521706461906433
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0294442176818848
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5826278924942017
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9791416525840759
+CC(=O)c1ccc(NC(=O)N2CCCC(C)(C)C2)cc1,-1.4366055727005005
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,-1.265222430229187
+Cc1ccccc1C(=O)N1CCN(Cc2cccc(O)c2)CC1,-1.1673498153686523
+O=C(N[C@@H]1CC[C@@H](F)C1)[C@@H]1CCC[C@H]1c1ccc(F)cc1,-1.0802490711212158
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCCC[C@@H]1c1ccc(F)cc1,-1.104944109916687
+Cc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1F,-1.452174425125122
+CC(C)(C)CC[NH+]1CC[C@](C)(NC(=O)C2CCOCC2)C1,-1.5507596731185913
+CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)s1,-1.2140389680862427
+C[NH+]1CCN(c2ccc(NCc3cccc(Cl)c3)cc2)CC1,-1.2151929140090942
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.226544976234436
+CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)CC1,-1.0371637344360352
+O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccs1,-0.9864765405654907
+COc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)cc1,-1.1176406145095825
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.0787166357040405
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCOCC2)cc1,-1.548998475074768
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccc(Cl)c2)no1,-1.1573344469070435
+Cc1cc(C(=O)NC2CCCC2)n(-c2cccc(F)c2)n1,-0.991832435131073
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-1.1017992496490479
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.9445521235466003
+Fc1cccc(CNC2CCN(c3ccc(Br)cc3)CC2)c1,-1.013954758644104
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(N)cc1,-1.3294159173965454
+CC(C)(C)COc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1,-1.518532633781433
+O=C(Nc1cc(O)ccc1Cl)c1cccc(-c2ccccc2)c1,-1.0543615818023682
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0699923038482666
+NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1124839782714844
+Cc1ccc(C(=O)N[C@H]2C[C@@H](c3ccc(Br)cc3)C2)nc1,-0.975348174571991
+CCOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.64987051486969
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(F)cc1,-1.2297347784042358
+O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1Cl,-0.9378674626350403
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.189028024673462
+CC[NH+]1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1,-1.4193997383117676
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.462553858757019
+Cn1cc(NC(=O)[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cn1,-1.0220494270324707
+CC(C)(C)[C@H]1CCCN(C(=O)NC2CC(F)(F)C2)C1,-1.0480597019195557
+Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.3566350936889648
+CC(C)(O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4893677234649658
+C[C@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCO1,-1.4764881134033203
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1874195337295532
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0536000728607178
+CC(C)c1nc(C(=O)NCc2ccccc2)no1,-1.6287955045700073
+NC(=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1,-0.9836913347244263
+C[C@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)nc1,-0.8592240810394287
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F,-1.0497883558273315
+C[NH+]1CCN(c2ccc(NC(=O)C3CCCCCC3)cc2)CC1,-1.3266243934631348
+Cc1cc(F)ccc1[C@H]1CCCN(C(=O)Nc2ccccc2)C1,-1.0417144298553467
+Cc1c(F)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F,-0.3885757327079773
+Cc1cc(C(=O)N2CC[NH+](Cc3coc(C)n3)CC2)no1,-1.218687891960144
+C[C@H](CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1,-1.3839831352233887
+C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(F)cc1,-1.1846548318862915
+Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.0870462656021118
+O=C(Cc1ccccc1)NC[C@@H]1CC2(CCOCC2)CO1,-1.6552550792694092
+O=C(N[C@@H]1CCN(c2ccccn2)C1=O)c1ccc(O)cc1,-1.1434990167617798
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.077074646949768
+CN1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1=O,-1.1123604774475098
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003912925720215
+COc1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)cc1,-1.0566743612289429
+Cc1nn(C)cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1,-0.8453109264373779
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.299096703529358
+COc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1,-1.225154161453247
+N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.3104010820388794
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0828992128372192
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3855774402618408
+C[NH+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.374750018119812
+CC(C)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,-1.5784807205200195
+CN1CC(CNc2ccc(-c3ccccc3)cc2)CC1=O,-1.553039789199829
+O=C(NCc1ccccc1)C1CCN(C2CCCCC2)C1=O,-1.3290655612945557
+O=C(Nc1ccc(C2CCOCC2)cc1)[C@@H]1CCC12CCCC2,-1.3566572666168213
+O=C(Cc1nc2ccccc2[nH]1)NCc1cccc(Br)c1,-1.0878520011901855
+C[C@H]1C[NH+](Cc2cccc(F)c2)CCN1Cc1ccccc1,-1.3638684749603271
+C[C@H]1C[C@@H](NC(=O)NCC2CCCCC2)CCO1,-1.6678709983825684
+Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-0.895279586315155
+CC1=NCCC(C(=O)N2CCN(Cc3ccccc3)CC2)C1,-1.1974774599075317
+Oc1c(Br)cc(-c2ccccc2)cc1OCc1ccccc1,-1.1734035015106201
+Cc1nc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cs1,-0.8563776016235352
+O=C(CCCc1ccc(Cl)cc1)NCc1ccc(F)cc1,-1.4206053018569946
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1623847484588623
+O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCC[S+]([O-])CC1,-1.4009051322937012
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172458648681641
+CC(C)(COc1ccc(Cl)cc1)C(=O)Nc1ccccc1,-1.518959641456604
+O=C(Nc1ccccc1F)N1CCOC[C@H]1c1cccc(Cl)c1,-1.0100958347320557
+Cc1[nH+]cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.947623610496521
+O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9905703067779541
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-1.0740599632263184
+C[C@@H]1CC[C@H](NC(=O)c2ccnn2-c2ccc(Cl)cc2)C1,-1.055173635482788
+Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,-0.9665518403053284
+C[NH+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1926052570343018
+O=C(Nc1cccc(-c2ccccc2)c1)c1cccc(O)c1O,-1.3086642026901245
+CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1,-0.7408797144889832
+CC(C)(C)C(=O)Nc1ccc(OCC(N)=O)cc1,-1.6163296699523926
+Cc1cc(F)ccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1,-0.9196024537086487
+C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CCS1,-1.111577033996582
+CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC23CCOCC3)CC1,-1.4951534271240234
+C[NH+]1CC[C@@H](NC(=O)c2csc(-c3ccc(Br)cc3)n2)C1,-0.7924444675445557
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1,-1.2983229160308838
+C[NH+]1CC[C@@H](C(=O)Nc2ccnn2-c2ccc(Cl)cc2)C1,-1.008760929107666
+CCCc1ccc(NCc2nc(C(C)C)no2)cc1,-1.5778647661209106
+O=C(Cc1ccccc1)Nc1ccc(N2CCOC2=O)cc1,-1.5194921493530273
+Cc1ccc(NC(=O)N2CCC(C3CCCCC3)CC2)c(C)c1,-0.9618791341781616
+Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.2017956972122192
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0600829124450684
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.031531572341919
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2194615602493286
+COc1ccc(NC(=O)c2ccc3c(c2)CN(C)C3)cc1,-1.2432001829147339
+CN1CCN(c2ccc(CNc3ccc(Cl)cc3)cc2)CC1,-1.3257462978363037
+N#Cc1ccc(CNC2CCN(c3ccccc3)C2=O)cc1,-1.2511699199676514
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3N)CC2)c1,-1.1079756021499634
+O=C(C[NH+]1CCOC2(CCCC2)C1)NCc1ccccc1,-1.6411110162734985
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172560572624207
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2163459062576294
+Cc1ccsc1C(=O)N1CCN(c2ccc(C(C)C)cc2)CC1,-0.7976999878883362
+COc1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1,-1.612329125404358
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8281441330909729
+C[NH+]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1,-1.6404277086257935
+Cc1ccc(NC(=O)c2ccc(I)cc2)cc1-c1ccccc1,-0.9754995703697205
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858083009719849
+O=C(N[C@@H]1C(=O)NCC[C@@H]1c1ccccc1)c1ccccc1,-1.276941180229187
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1,-1.1593213081359863
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.2693655490875244
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4611743688583374
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1956413984298706
+Cc1n[nH]c2ccc(CNC(=O)[C@@H]3CCC[C@@H](F)C3)cc12,-0.8233110308647156
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(C)c1,-1.0550696849822998
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.4739587306976318
+CC[C@H]1CCCN(C(=O)NCc2ccc(Br)s2)C1,-1.1595711708068848
+c1ccc(N2CCCC2CNCc2cccs2)cc1,-1.634182095527649
+CC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2043358087539673
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0232073068618774
+Cc1cccc(CNc2cn(C)nc2-c2ccccc2)c1Br,-0.8189620971679688
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8980758190155029
+Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-0.8828577995300293
+O=C(C[NH+]1CC[NH+]2CCC[C@H]2C1)NCc1cccc(Br)c1,-1.2457195520401
+O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9808546304702759
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1,-0.9586026668548584
+CC1(C)COc2ccc(NC(=O)Cc3ccc(Br)cc3)cc21,-1.0573827028274536
+Cc1cccc(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)c1,-1.227585792541504
+Cc1cc(O)ccc1NC(=O)N1CC[NH+](C(C)(C)C)CC1,-1.1609511375427246
+C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3Cl)C2)C1,-0.9361914992332458
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846236944198608
+O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)CC1CCCCC1,-1.510744571685791
+Cc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1,-1.3882371187210083
+Cc1ccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)cn1,-1.532249093055725
+COCCOc1ccccc1NC1CCCN(C)C1,-1.6251072883605957
+Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0603467226028442
+Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)n1,-0.9997292757034302
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1866486072540283
+C[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1,-1.1416659355163574
+O=C(NCC(O)=NCCc1ccc(Cl)cc1)c1ccccc1,-1.5201668739318848
+Cc1nc2cc(NC(=O)Nc3ccc(I)cc3)ccc2o1,-1.012276530265808
+CN1CCN(c2ccc(OCc3ccc(Cl)cc3)cc2)CC1,-1.2663260698318481
+CN(CCc1ccccc1)C(=O)c1cc(Br)[nH]n1,-1.3868489265441895
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1,-1.2086297273635864
+Oc1cccc(CN2CCNCC2)c1,-1.7967947721481323
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.4227712154388428
+O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2O)cc1,-1.1275287866592407
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2003873586654663
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9000305533409119
+Cc1cc(CNC(=O)c2ccc(C#N)cc2)ccc1Cl,-1.1104354858398438
+Fc1ccc(CN2CCC(Nc3ncc(Br)cn3)CC2)cc1,-0.8744524121284485
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1,-1.1300888061523438
+COc1cc(Cl)ccc1NC(=O)N1CCOC2(CCC2)C1,-1.3575987815856934
+O=C(Nc1ccccc1Cl)N1CCCC[C@@H]1c1ccc(F)cc1,-0.9754279255867004
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0746256113052368
+C[C@@H](CCNC(=O)c1ccc(F)cc1)[NH+]1CCN(C)CC1,-1.2306724786758423
+O=C(Nc1ccc(Cl)cn1)c1ccc(CC(F)(F)F)cc1,-0.9690369367599487
+Nc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2)c1,-1.3314400911331177
+Cc1ccc(CC[NH+]2CCN(Cc3ccc(C)s3)CC2)cc1,-1.3522746562957764
+Cc1cc([NH3+])ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.161173701286316
+O=C(Cc1ccc(F)cc1)NC1CCN(c2ccccc2)CC1,-1.458753228187561
+CC(C)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.19955313205719
+CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-0.9248822927474976
+O=C(NC1CC[NH+](C2CC(F)(F)C2)CC1)c1ccccc1,-1.236120581626892
+Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-0.9418600797653198
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)no2)cc1,-1.2280051708221436
+CC(C)C[NH+]=C(O)CCOc1ccc(CN2CCOCC2)cc1,-1.598512887954712
+C[C@H]1CCCCN1c1ccc(NC(=O)CC2CCCCC2)cn1,-1.1617870330810547
+C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1O,-1.319359540939331
+O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8583066463470459
+C[NH+]1CCCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.3003368377685547
+CC(C)Oc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1,-1.1204208135604858
+O=C(Cc1ccccc1F)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.3965413570404053
+CCO[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)s2)C1,-1.3995177745819092
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2160704135894775
+Fc1cc(F)cc(CNc2ccc(N3CCNCC3)cc2)c1,-1.0824148654937744
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1,-1.1551836729049683
+Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.097605586051941
+Fc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.1329948902130127
+OC(=NCC(O)Cc1ccc(F)cc1)C1CCCN1Cc1ccccc1,-1.1981562376022339
+CC1(O)CCN(C(=O)Nc2conc2-c2ccccc2)C1,-1.5312106609344482
+Cn1ncc(NC(=O)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1,-0.9025574922561646
+O=C(NCCCF)C1CC[NH+](Cc2ccccc2)CC1,-1.5862046480178833
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.9195157885551453
+Clc1ccc(C[NH2+][C@H]2CCOC[C@@H]2c2ccc(Br)cc2)cc1,-1.1890532970428467
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9595800042152405
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1,-1.215747594833374
+Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1,-1.251987099647522
+O=C(c1cccc2cc(Cl)ccc12)N1CCC(c2ccc(F)cc2)CC1,-0.45955610275268555
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.0055971145629883
+c1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3)CC2)cc1,-1.4018146991729736
+Cc1ccc(C[NH+]2CCN(CC3CCCCC3)[C@H](C)C2)cc1,-1.3346506357192993
+CC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C)cc3)nn2)C1,-0.8459988236427307
+Cc1ccc(C[NH+]2CCNCC2)o1,-1.835768222808838
+Cc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1,-0.8059823513031006
+O=C(CC1CCCCC1)Nc1ccc(N2CCOCC2)c(F)c1,-1.2695852518081665
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.9921025037765503
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.085652470588684
+O=C(NCc1ccc(F)cc1)C1CC(C2CCOCC2)C1,-1.383191466331482
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.1358927488327026
+CN1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4807170629501343
+C[NH+]1CCC(NC(=O)NCC2CCCCC2)CC1,-1.642236351966858
+O=C(c1ccc(F)cc1F)N1CCN(CC2CCCCC2)CC1,-0.8498714566230774
+O=C(CCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4415812492370605
+c1ccc(N2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1,-0.991944432258606
+Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1O,-0.8882699608802795
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0806465148925781
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCSC[C@H](O)C1,-1.3181498050689697
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,-0.8688519597053528
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907991170883179
+CC(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1,-1.3454458713531494
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6740106344223022
+COc1ccc(OCC(=O)N2CCOC3(CCCCC3)C2)cc1,-1.5288901329040527
+Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)c(Cl)c1,-1.033245325088501
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0083324909210205
+O=C(Nc1cnnn1-c1ccc(F)cc1)[C@H]1CC12CCC2,-0.992422878742218
+Cc1nc2cc(C(=O)NCc3ccc(O)cc3)ccc2o1,-1.1947273015975952
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.138297438621521
+CN1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.2722214460372925
+C[C@H]1CC[C@@H](NC(=O)NCCc2ccccc2)C1,-1.6723148822784424
+Fc1cc(F)c(CNc2nnc(C3CCCCC3)s2)cc1F,-0.3391800820827484
+Cc1nsc(N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)n1,-0.7898939847946167
+Cn1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Br)cc2)n1,-1.044967532157898
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1,-1.1621370315551758
+c1ccc(Cc2nccs2)cc1,-1.8509232997894287
+Cc1nc(SCc2ccccc2)cc(-c2ccc(Cl)cc2)n1,-0.8013370633125305
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.144642949104309
+COc1ccc(OCC(=O)Nc2ccccc2I)cc1,-1.4381567239761353
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)c1,-1.4729818105697632
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1,-0.9501892328262329
+CC[C@@H](C)C(=O)N1CCC(OCc2cccc(O)c2)CC1,-1.4803959131240845
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.515120506286621
+CC(C(=O)N1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.4574147462844849
+Cc1ccc(CN2CCN(C(=O)C3CCCCN3C)CC2)cc1,-1.093934178352356
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0697476863861084
+Cc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1,-0.9881201982498169
+Fc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F,-1.3358184099197388
+O=C(NCC1CCCCC1)Nc1ccc(Cl)cn1,-1.5186008214950562
+O=C(NCC1CC(F)(F)C1)N1CC2(CCOCC2)C1,-1.557538390159607
+O=C(Nc1ccc(-c2ncon2)cc1)c1csc2ccccc12,-0.9631496667861938
+C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2F)CC1,-0.8679007887840271
+Clc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1,-1.0910283327102661
+COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1,-1.3012371063232422
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1Cl,-0.7983706593513489
+CC(C)CC(=O)Nc1ccc(Oc2ccc(F)cn2)cc1,-1.3635634183883667
+CC(C)(O)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1,-1.5968157052993774
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.1935081481933594
+[CH]1[C@@H]2CCCC[NH+]2[C@@H](Cc2ccccc2)C[NH+]1Cc1ccccc1,-1.4834198951721191
+Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.2989205121994019
+Cn1nc(CNC(=O)c2ccc(Br)cc2)c2ccccc21,-0.8221403360366821
+O=C(NCc1ccc(Cl)c(F)c1)N1CCc2sccc2C1,-0.6980960369110107
+C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1,-0.7803767919540405
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.4998775720596313
+CC1(C)C[NH+](CC(=O)NCCCc2ccccc2)CCO1,-1.6467572450637817
+C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2570116519927979
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N1CC[C@@H](c2ccccc2)C1,-1.1257230043411255
+C[C@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.2794718742370605
+Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9589545130729675
+O=C(NCC1CC1)c1ccc(-n2cncn2)cc1,-1.5590286254882812
+C[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccc(O)cc2)CC1,-1.126871943473816
+CC(C)[C@H](C(=O)NCc1ccc(Br)cc1)[NH+]1CCOCC1,-1.2805516719818115
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1,-1.0345877408981323
+C[NH+]1CCN(CCC(=O)NCc2ccc(F)cc2N)CC1,-1.180015206336975
+Nc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1,-1.057196855545044
+O=C(Nc1ncccc1Cl)c1ccc(-c2ccc(F)cc2)nc1,-0.7593685388565063
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cn1,-1.37518310546875
+COc1ccc(CNC(=O)c2ccn(C)c2)cc1,-1.634691834449768
+C[C@@H]1CCC[C@@H](CNC(=O)CCCC(=O)c2ccccc2)C1,-1.5299718379974365
+Cc1ccc(C(=O)N2CCC(C)([NH+]3CC[C@@H](C)[C@@H](C)C3)CC2)nn1,-0.564427375793457
+O=C(N[C@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.1422250270843506
+C[C@H]1C[C@H](C)CN(C(=O)C(=O)NCc2ccccc2)C1,-1.4728081226348877
+Fc1ccc(CNC2CCN(c3cccc(F)c3)CC2)cc1,-1.232082724571228
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,-1.2411168813705444
+O=C(Cc1ccc(Br)cc1)NCc1cnc2ccccn12,-1.1497822999954224
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1,-1.0440428256988525
+O=C(NCc1ccc2c(c1)CCCC2)c1ccc(O)cn1,-1.174848198890686
+O=C(Cc1ccc(F)cc1)NC[C@H](O)Cc1ccccc1,-1.5683144330978394
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2751264572143555
+Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl,-1.1531672477722168
+C[C@H]1C[C@@H](C(=O)NC2CC(c3ccc(Br)cc3)C2)CCO1,-1.144935965538025
+CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2F)CC1,-0.7270005941390991
+O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)CCC2,-1.3175301551818848
+CN1CCN(c2ccc(C(=O)NCC(C)(C)O)cc2)CC1,-1.492653489112854
+CC(C)CCNC(=O)c1ccccc1-c1nc2ccccc2o1,-1.0357966423034668
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3[NH3+])cc2)CC1,-1.2654318809509277
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.830901563167572
+Cc1cc(F)cc(C)c1NC(=O)c1ccc(C(C)C)cc1,-0.8957861065864563
+O=C(NCc1ccc(F)cc1)Nc1ccccc1,-1.662104606628418
+O=C(Nc1ccc(F)cc1O)c1ccc(C2CCCCC2)cc1,-0.9794358015060425
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1003462076187134
+Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1,-1.4274632930755615
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0089596509933472
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1953306198120117
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9701589345932007
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2936993837356567
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.885485053062439
+C[NH+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.9628699421882629
+C[NH+]1CCC[C@@]2(CCN(C(=O)NCc3ccccc3)C2)C1,-1.5608255863189697
+CC(=O)NC1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1,-0.9749258756637573
+Cc1c(C(=O)N2CCOC(C)(C)C2)cnn1-c1ccc(Cl)c(Cl)c1,-0.44618284702301025
+Cc1ccc2nc(CNC(=O)c3ccc(I)cc3)oc2c1,-1.0574039220809937
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.062619924545288
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(Br)cc2)CC1,-1.057350516319275
+O=C(NCc1nc2ccccc2[nH]1)c1cc(Br)ccc1Cl,-0.7674748301506042
+Nc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-0.9884754419326782
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.134464144706726
+O=C(O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9287678003311157
+O=C(Nc1ccc(N2CCCC2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-1.1121360063552856
+O=C(N[C@H]1CC12CCC2)N1CCC([NH+]2CCCCC2)CC1,-1.3301931619644165
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H]([NH+]2CCCCC2)C1,-0.8294560313224792
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-n2cccn2)cc1,-1.1664310693740845
+C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1,-0.9836372137069702
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.4485654830932617
+O=C(NCCc1ccc(Br)cc1F)N1CCc2ccccc2C1,-0.767058253288269
+O=C(Nc1ccc(F)cc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1,-0.8804669976234436
+Oc1ncc(-c2ccccc2)c(NCC2CCC(O)CC2)n1,-1.0867705345153809
+Nc1cc(Cl)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1,-0.9591794610023499
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br,-0.8715506792068481
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.97975093126297
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(Br)cc2)CC1,-0.8122368454933167
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4389907121658325
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCOCC1,-0.9585333466529846
+CC(C)(O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1,-1.5077309608459473
+O=C(c1ccc(O)cc1)N1CCN(Cc2ccccc2F)CC1,-1.1228686571121216
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC(F)(F)C1,-0.9093911647796631
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.160662293434143
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1,-1.4209468364715576
+COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1,-1.0643917322158813
+Cc1nc2cc(C(=O)NCc3ccc(Br)cc3)ccc2[nH]1,-0.853654146194458
+Cc1ccc(C[NH+]2CCN(C(=O)c3ncccc3O)CC2)cc1,-1.2301326990127563
+CN1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.2453044652938843
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1,-0.9544943571090698
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.143261194229126
+Cc1cc(F)ccc1C(=O)NC[C@H]1CCN(C)C(=O)C1,-1.0071511268615723
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)o1,-1.293601155281067
+CCS(=O)(=O)c1ccc(CNCC2CCCCC2)cc1,-1.566307783126831
+O=C(Nc1ccccc1O)N1CCO[C@H](c2ccc(Cl)cc2)C1,-1.1434887647628784
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cn1,-1.1423605680465698
+O=C(N[C@H]1CCCC[C@H]1F)N1CCN(c2ccc(F)cc2)CC1,-0.8847600221633911
+Cn1cc(CC(=O)N[C@@H]2CCC[C@H]2C2CCCCC2)cn1,-1.2523304224014282
+Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)no1,-0.7760373950004578
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(F)c1,-1.025591492652893
+Nc1cc(O)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0920171737670898
+CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1,-1.1178724765777588
+CC1(C)C[NH+](CCCNC(=O)c2ccc(O)cc2)CCO1,-1.5815211534500122
+O=C(CN1C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1,-1.080245018005371
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1,-1.107024073600769
+O=C(NCc1ccccc1)N1CCC[C@@H](CCCO)C1,-1.6174565553665161
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0445387363433838
+COc1ccccc1C(=O)Nc1ccccc1S(N)(=O)=O,-1.3627526760101318
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.2531685829162598
+O=COc1ccc(NC(=O)N2CCCC3(CCCC3)C2)cc1,-1.5332518815994263
+CC(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]3CCC[C@H]3C2)CC1,-1.0738683938980103
+CC1(C)CN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1,-1.493975281715393
+Cc1cc(Cl)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-0.8831724524497986
+Cc1cccc(C[C@@H](O)CNC(=O)c2ccc(Cl)nc2)c1,-1.3582003116607666
+C[C@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4350124597549438
+C[C@H]1CCN(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)C1,-1.1837838888168335
+O=C(NCc1ccccc1)Nc1ccc(F)cc1,-1.6612251996994019
+C[NH+]1CCCN(c2ccc(NC(=O)c3ccccn3)cc2)CC1,-1.264045000076294
+O=C(O)CC(O)c1ccc(OCc2ccc(I)cc2)cc1,-1.4020705223083496
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1838127374649048
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1,-1.0370745658874512
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-1.1249237060546875
+Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(C)c1,-1.0656201839447021
+Cc1ccc(C(=O)N[C@H]2CCN(C3CCSCC3)C2=O)cc1,-0.9848719835281372
+Cc1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1,-1.1004762649536133
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2356325387954712
+Cc1ccccc1NC(=O)N1CCC([NH+]2CCC[C@@H](C)C2)CC1,-1.1606533527374268
+Oc1ccc(C[NH+]2CCC(Oc3ccc(Br)cc3)CC2)cc1,-1.3949429988861084
+Nc1ccc(-c2ccc(Br)cc2)c(NCc2ccccc2)c1,-1.0839003324508667
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.0173155069351196
+Cc1nc(CN=C(O)CNc2ccc(C(C)C)cc2)no1,-1.209944248199463
+O=C(COc1cccc(Br)c1)N[C@@H]1CCC[NH+]2CCC[C@H]12,-1.1656181812286377
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1,-0.9478645324707031
+O=C(c1ccc(Cl)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.2124451398849487
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.015494465827942
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6538389921188354
+O=C(Cc1ccncc1)Nc1ccc(N2CCCC2=O)cc1,-1.4119493961334229
+Fc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)cc1,-1.1283727884292603
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.0389372110366821
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0936414003372192
+CN(Cc1ccc(F)cc1)C(=O)Cc1cc(F)ccc1O,-1.1371872425079346
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1I,-0.8412785530090332
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2164788246154785
+Cc1cc(C(=O)Nc2ccnn2-c2cccc(Br)c2)on1,-1.0034501552581787
+Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Cl,-0.8307266235351562
+Cc1nnc(CC2CCCCC2)c(Nc2ccc(Br)cc2)n1,-0.7013915777206421
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0855040550231934
+O=C1C[C@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2)CN1,-1.3472315073013306
+C[NH+]1CCN(c2ccc(NC(=O)CC3CCCCC3)cc2)CC1,-1.373883605003357
+Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.000223159790039
+O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1,-0.8550694584846497
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0804020166397095
+Oc1ccc(-c2ccc(Cl)cc2OCc2ccccc2)cc1,-1.2688117027282715
+CCC[C@H](C(=O)NCCc1ccccc1F)c1ccc(C)cc1,-1.1771433353424072
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(O)cc1,-1.5374844074249268
+COC(=O)CCc1ccccc1,-1.9269940853118896
+Cc1csc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,-1.1565300226211548
+Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.4716336727142334
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(I)c1,-0.9126181602478027
+O=C(NCCc1cccc(Br)c1)c1ccc2c(c1)CCN2,-1.0748136043548584
+[NH3+]C1CCC(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1,-1.2748430967330933
+O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(-c2nccs2)cc1,-0.9588587880134583
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.205343246459961
+C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc(F)cc3)C2)CC1,-1.0136772394180298
+CC1(C)CCN(C(=O)c2cc(Cc3ccccc3)on2)C1,-1.489793062210083
+CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1,-1.3634802103042603
+Cc1ncsc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2F)C1,-0.7514421343803406
+c1ccc(OCCN[C@@H]2C[C@H]2c2ccccc2)cc1,-1.655245065689087
+Nc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.0956851243972778
+Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2)C1,-0.9598219990730286
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)no3)C2)cc1,-1.2320756912231445
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc([S-])cc1,-1.3692857027053833
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.357191801071167
+Cc1ccc(NC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c(F)c1,-1.102021336555481
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.4701255559921265
+CN1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1,-1.2708019018173218
+Cc1ccc(CNc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.379636526107788
+O=C(N[C@H]1CCO[C@H]1c1cccc(F)c1)C1CCC=CCC1,-1.5147351026535034
+O=C(c1ccccc1O)N1CCC(Nc2ccc(Cl)cc2)CC1,-1.0247598886489868
+c1ccc(Cc2nc(Cc3ccc4c(c3)OCO4)no2)cc1,-1.4921361207962036
+CCOc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)cc1,-1.6194329261779785
+CC(C)(O)CC(=O)NCc1ccc(C2CCCCC2)cc1,-1.5632588863372803
+NC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1,-1.3224936723709106
+CC1(C)CC[NH+](CC(=O)NCc2cccc(O)c2)C1,-1.6231279373168945
+O=C(Nc1cc(F)ccc1F)N1CCCC[C@H]1c1ccccc1,-0.9551840424537659
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(S)cc1,-1.406806468963623
+C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1,-1.3180429935455322
+O=C(Cc1ccccc1)Nc1ccc(N2CCNC2=O)cc1,-1.4817229509353638
+Cc1ccc(C2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)cc1,-0.5812861323356628
+Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc1,-1.3621101379394531
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.8961532115936279
+O=C(NC1CCCCC1)N1CCO[C@H](c2ccc(F)cc2F)C1,-0.9859822988510132
+N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1,-1.4517033100128174
+Cc1cc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2)on1,-1.0570955276489258
+Cc1ccc(O)c(CNC(=O)CCc2ccc(Br)cc2)c1,-1.2594314813613892
+O=C(NCc1ccccc1)Nc1cccc(Br)c1,-1.5748544931411743
+Fc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)cc1,-1.177979588508606
+CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5657271146774292
+CC(C)CC(=O)N1CCC[C@H](NC(=O)c2ccccc2N)C1,-1.1791201829910278
+Cc1cccnc1Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,-1.1119325160980225
+O=C(Nc1cc(F)ccc1O)N1CCN(c2ccccc2)CC1,-1.210227608680725
+Cc1ccc(C)c(-c2ccc(NC(=O)c3ccccc3)cc2)n1,-1.0404419898986816
+O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)c(F)c2)CC1,-0.7352263927459717
+Cc1[nH]ncc1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1,-0.9432050585746765
+O=C(c1ccc2[nH]ncc2c1)N1CCC(C[NH+]2CCCC2)CC1,-1.035327434539795
+O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8921086192131042
+C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1O,-1.5332759618759155
+CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,-0.8195563554763794
+O=C(N1CCN(c2ccc(F)cc2)CC1)N1CCCC2(CCOCC2)C1,-1.0150083303451538
+Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(Br)cn1,-0.9069169759750366
+Nc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.0614304542541504
+Cc1nc2ccc(C(=O)NC[C@@H]3CCC[NH+](C)C3)cc2o1,-1.1189836263656616
+O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(-c2cccc(F)c2)cc1,-1.092669129371643
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)s1,-0.8791798949241638
+NC(=O)CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1,-0.7809762358665466
+Cc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3)C2)c(Cl)c1,-0.9751721024513245
+NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1,-1.0744339227676392
+Cc1cc(NC(=O)c2ccccc2Cl)n(CC(F)(F)F)n1,-0.6891965270042419
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0191736221313477
+O=C(N[C@@H]1CC12CCCCC2)c1ccc(C(F)(F)F)cc1,-1.053592324256897
+O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1,-1.0083593130111694
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0557262897491455
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,-1.3193957805633545
+Cc1nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)co1,-1.1711949110031128
+O=C1OC(Cc2ccccc2)CN1Cc1ccc(O)cc1,-1.5547951459884644
+Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1C,-1.2016034126281738
+Cc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.3158081769943237
+CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,-0.9368128776550293
+O=C(Cc1ccc(F)cc1)NCc1cccn2nccc12,-1.2173646688461304
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,-0.9833623170852661
+Cc1nc(CNC(=O)N2CCOC3(CCOCC3)C2)cs1,-1.5016412734985352
+O=C(c1ccc2cc(Cl)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.4068312346935272
+O=C1N[C@@H]2CCCCN12,-1.9299253225326538
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395607948303223
+Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-1.2629400491714478
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c[nH+]1,-1.4382156133651733
+O=C(c1ccc2nc[nH]c2c1)N1CCC[C@H]1Cc1ccccc1,-1.0818228721618652
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9029335379600525
+Cc1cccc(CNC(=O)[C@H]2CCOC23CCCCC3)n1,-1.4966436624526978
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-0.9656975269317627
+Oc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.4964061975479126
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.0382964611053467
+Clc1ccc(-c2ccc(CNc3ccc(Br)cc3)cc2)cc1,-1.0627754926681519
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(F)c1,-1.2774136066436768
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1,-1.1385338306427002
+O=C(NCc1c[nH]c2ccccc12)c1ccc(F)c(Cl)c1,-0.8776763677597046
+O=C(Nc1nc2ccccc2s1)c1ccn(-c2ccccc2)n1,-1.0154229402542114
+Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.1424850225448608
+Cc1cc(Cl)ccc1-c1noc(COc2ccc(Br)cc2)n1,-0.8114780187606812
+Nc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1N,-1.230584740638733
+CC(Oc1ccc(Cl)cc1)c1noc(-c2cccc(N)c2)n1,-0.9955013990402222
+Cc1ccccc1CNC(=O)CC[NH+]1CCc2ccccc2C1,-1.2643084526062012
+COc1ccc(OCCOc2ccc(C)cc2)cc1,-1.6607508659362793
+O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2ccc(Br)cc2)nc1,-0.9118497371673584
+Cc1ccc(Cl)c([NH+]2CCC(NC(=O)[C@H]3CCCCO3)CC2)c1,-0.9870501756668091
+Cn1nc(C(=O)NCCC(C)(C)C)c(-c2ccccc2)n1,-1.0967282056808472
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565083026885986
+O=C(NCc1ccc(F)c(F)c1)c1ccc2[nH]ccc2c1,-1.0761483907699585
+CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5573091506958008
+Cc1n[nH]c2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc12,-0.8578739762306213
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9595446586608887
+Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3)n2)no1,-1.1184704303741455
+Cc1cccnc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.903813362121582
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.8534830212593079
+OC(=NCc1ccc(OCc2ccccc2)cc1)N1CCCC1,-1.5754314661026
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.062442421913147
+O=C(NCc1ccc(F)c(Cl)c1)c1ccc2nonc2c1,-0.9105841517448425
+O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1,-1.1378881931304932
+O=C(Nc1ccc(F)cc1F)N1CCC(c2ccccn2)CC1,-0.8648443818092346
+O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](c2ccccc2)C1,-1.5037410259246826
+Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cn1,-0.9917833805084229
+C[NH+]1CC[C@@H](CNC(=O)c2cccc3c2CC(=O)N3)C1,-1.2324063777923584
+O=C(c1ccc(OC2CCCCC2)cc1)N1CC[S+]([O-])CC1,-1.3807156085968018
+CC(C)(C)C(=O)N1CCC(NCc2ccc(F)cc2)CC1,-1.1402581930160522
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2[nH]1,-0.9492920637130737
+Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1,-1.2066949605941772
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0836092233657837
+O=C(Nc1cccc(O)c1)[C@H]1C[C@H](c2ccc(F)cc2)C1,-1.226563572883606
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(O)cc1,-1.2201483249664307
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.9446454644203186
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.260654091835022
+Cc1ccc(CN2CCC(Oc3ccc(Cl)cc3)CC2)cc1,-1.4913079738616943
+Cc1cc(Cl)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9746378660202026
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2ncsc2c1,-0.9866502285003662
+C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1,-1.1436156034469604
+Cc1noc(-c2ccc(NC(=O)c3ccc(C)o3)cc2)n1,-1.213400959968567
+O=C(N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1Br,-0.8186835050582886
+CN1CC[C@@H](NC(=O)N2CCC(c3ccccc3)CC2)C1=O,-1.121098279953003
+Cc1ccc(CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1,-1.058550238609314
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3)CC2)cc1,-1.0759817361831665
+O=C(Nc1ccc(F)cc1I)N1CCC[C@@H](c2ccccc2)C1,-0.9268843531608582
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1,-1.2780287265777588
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2501931190490723
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.044503927230835
+CC(C)CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1,-1.2835499048233032
+O=C(c1ccc(Cl)cc1)N1CCNCC1,-1.6316851377487183
+CCCCOc1ccc(CC(O)=NCc2ccc(F)cc2)cc1,-1.4933687448501587
+O=C(NC1CN(c2ccc(F)cc2)C1)c1ccc(O)cc1,-1.3690836429595947
+O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1,-1.2389878034591675
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464847087860107
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0659674406051636
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903927206993103
+Fc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl,-1.1758983135223389
+Clc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1,-1.0010321140289307
+O=C(c1ccc2nc(O)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5660889148712158
+CN1CCCC2(CCN(C(=O)NCC3CCCCC3)C2)C1,-1.526366949081421
+Cc1ccccc1N1CCC(NC(=O)N2CC[NH+](C)CC2)CC1,-1.0721474885940552
+Cc1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1,-1.47268807888031
+Cc1cc2cc(C(=O)NCc3ccc(O)cc3)ccc2[nH]1,-1.224823236465454
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-1.0369676351547241
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9898258447647095
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.673403024673462
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(Cl)c1,-1.0296248197555542
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Br)CC2)cc1,-0.99392169713974
+CC(C)C1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.1080080270767212
+CCc1ccc(C(=O)NCc2cc(C)on2)cc1,-1.6483030319213867
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5007460117340088
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.984610378742218
+Cc1cc(I)ccc1C(=O)N[C@H]1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8008494973182678
+Cc1cccc(NC(=O)C2CCN(c3ccccc3)CC2)c1F,-0.9933530688285828
+Cc1ccc(CNC2CCN(c3cccc(C)c3)CC2)cc1,-1.2921473979949951
+CC1CCN(c2nnc(-c3ccccc3)n2CC2CC2)CC1,-1.0102051496505737
+NC(=O)c1ccc(NCc2ccc3c(c2)CCC3)cc1F,-0.9364023208618164
+Nc1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,-1.0556398630142212
+O=C(Nc1ccc(F)cc1Br)N1CCC(c2ccccc2)CC1,-0.9341604709625244
+CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(Br)c1,-1.0379396677017212
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(N)cc2)CC1,-1.1252456903457642
+COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1,-1.1076805591583252
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl,-0.9087889194488525
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.379526138305664
+C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2517324686050415
+CC(C)CCN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1,-1.1172845363616943
+C[NH+]1CCC(CNC(=O)Nc2ccccc2)CC1,-1.6688101291656494
+C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2ccccc2)CC1,-1.2488375902175903
+C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,-1.0561575889587402
+Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n[nH]1,-1.0396475791931152
+Cc1ccc(CNC(=O)C[NH+]2CCc3ccccc3C2)s1,-1.253867745399475
+C[C@H]1CN(C(=O)c2ccccc2)CCN1CCc1ccccc1,-1.4997107982635498
+CC[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1,-1.2740349769592285
+O=C(c1ccccc1)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1ccccc1,-1.185714840888977
+O=C(N[C@H]1C[C@H]1C1CCOCC1)N1CCC[C@H]1c1ccccc1,-1.2292729616165161
+CC(C)N1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1,-1.038817286491394
+Cn1cc(C(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)cn1,-1.1273868083953857
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1,-1.2502506971359253
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)no1,-1.0640166997909546
+Cc1cc(NC(=O)c2ccc(C)s2)n(C2CCCCC2)n1,-0.9461781978607178
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1543995141983032
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1C(=O)c1ccccc1,-1.154754877090454
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400187730789185
+O=C(Nc1ccc(O)cc1)c1ccc(N2CCCC2=O)cc1,-1.411950945854187
+Cc1nc2cc(C(=O)NC[C@@H]3CCCC3(C)C)ccc2[nH]1,-0.8790032863616943
+Oc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4248586893081665
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.09062922000885
+C[NH+]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ncccc3Cl)CC2)C1,-0.8724254369735718
+Cc1cc(C[NH2+]C2CCN(c3cccc(F)c3)CC2)n(C)n1,-0.9018898010253906
+C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2)C[C@@H]1C,-1.386160969734192
+Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)cc1,-1.0469921827316284
+Cc1ccsc1C(=O)N1CC[NH+](Cc2ccc(F)cc2F)CC1,-0.7284674048423767
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1,-1.3113187551498413
+CCCC(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1,-0.9639806151390076
+Fc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1037062406539917
+C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,-1.4637892246246338
+CC(C)NC(=O)c1ccc(-c2cc(F)c(F)cc2F)cc1,-0.5693419575691223
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1,-0.9750420451164246
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3345590829849243
+N#Cc1ccc(CNC(=O)c2nccc3ccccc23)cc1,-1.1120660305023193
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1,-1.0561776161193848
+Nc1ccc(CNC(=O)NC2CCCCC2)cc1,-1.6920514106750488
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2060045003890991
+CC(C)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1,-1.1306848526000977
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.1996917724609375
+c1ccc([C@H]2CCC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)cc1,-1.031346082687378
+O=C(Nc1ccccc1N1CCNC1=O)c1ccc(Br)cc1,-0.989984393119812
+O=C(c1ccc(F)cc1O)N1CC[NH+](Cc2ccccc2)CC1,-1.1458783149719238
+C[C@@H](C(=O)N1CCC[C@@H](Nc2ccccn2)C1)c1ccccc1,-1.2422904968261719
+Cc1ccc([C@@H]2C[C@@H](NC(=O)c3ccccc3Cl)CCO2)cc1,-1.0689634084701538
+O=C(NC1(c2ccccc2)CCCCC1)N1CC2CCC1CC2,-1.2115622758865356
+Cc1cc(F)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1,-1.038342833518982
+O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1,-1.1401067972183228
+Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)no1,-1.2125056982040405
+Cc1nc2ccc(CNC(=O)N3CCCC(C)C3)cc2s1,-0.8532456755638123
+Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1,-1.3696306943893433
+NC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1,-1.0559651851654053
+Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1166154146194458
+O=C(NC1CCCCCC1)N1CCCC(c2ccc(F)cc2)C1,-1.158371925354004
+C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC2(CC1)CC[NH+](C)CC2,-1.1595771312713623
+[NH3+][C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3F)cc2)C1,-1.0400489568710327
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9641501307487488
+CCc1cccc(CNC(=O)c2cc(C)on2)c1,-1.607304334640503
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2969796657562256
+Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9303356409072876
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1142700910568237
+CC(C)(O)CN1CCC(NC(=O)c2ccc(Cl)cc2)CC1,-1.2697962522506714
+CC[C@H](C(=O)Nc1ccc(-n2cccn2)cc1)c1ccccc1,-1.3065953254699707
+Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCS(=O)(=O)C2)c1,-1.5375440120697021
+CC1(CNC(=O)N2CCC3(CCOCC3)C2)CCOCC1,-1.619235634803772
+O=C([O-])CC(=O)NC1CCN(c2ccc(Br)cc2)CC1,-1.275491714477539
+Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0218751430511475
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cn1,-1.222557544708252
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.571950078010559
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1,-1.338467001914978
+Cc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-0.9683961272239685
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-0.9860803484916687
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)nc1,-1.0355679988861084
+O=C(O)[C@@H]1CCCN1C(=O)N1CCN(c2ccccc2)CC1,-1.2418997287750244
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0656698942184448
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.3804901838302612
+c1ccc(CNc2nc(-c3ccccc3)cc3ccccc23)cc1,-1.0493760108947754
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccncc1F,-0.8877365589141846
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9806972146034241
+C[C@H]1CN(C(=O)NCC2CCOCC2)C2(CCCCC2)O1,-1.5754590034484863
+Cn1cc(CC(=O)NCc2ccccc2)c2ccccc21,-1.4114527702331543
+OC1CCN(Cc2ccccc2Cl)C1Cc1ccc(Cl)cc1,-0.9571421146392822
+O=C(N[C@H]1CCCN(c2ccccc2)C1)C1CC(F)(F)C1,-1.3001713752746582
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400464296340942
+O=C(COC1CC1)N1CCC(c2ccc(F)c(Cl)c2)CC1,-1.0394552946090698
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.028095006942749
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.157996416091919
+O=C(NC1CCC(F)(F)CC1)c1ccc(-c2ccccc2)cc1,-1.1482512950897217
+Cc1cccc(NC(=O)Cc2ccc(N3CCSCC3)cc2)c1,-1.4165675640106201
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1,-1.4733011722564697
+CN1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.2671629190444946
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(Cl)c1,-0.9234331846237183
+C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.294438362121582
+Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3F)CC2)cc1,-0.9114654064178467
+C[NH+]1CCN(c2ccc(CNc3cccc(Cl)c3)cc2)CC1,-1.207650065422058
+O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.6739678382873535
+O=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc2[nH]ncc2c1,-1.1519532203674316
+O=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)N1CCCC1,-1.0241730213165283
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.307711124420166
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.6739070415496826
+C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.1459306478500366
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.0057305097579956
+O=C1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.508773684501648
+CC(C)[C@H](NC(=O)c1ccc(N)cc1)c1ccc(F)cc1,-1.0621057748794556
+Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1,-1.042131781578064
+Cc1ccc([C@H](O)CNC(=O)c2cccc3ccccc23)cc1,-1.2484712600708008
+O=C1NCCN(C(=O)c2ccccc2)[C@H]1Cc1ccccc1,-1.3489590883255005
+O=C(NCc1ccc(Cl)nc1)N1CCC2(CCOCC2)C1,-1.4122871160507202
+O=C(NCc1ccc(F)cc1Cl)N1CC2(CC[NH2+]CC2)C1,-1.0545076131820679
+Cc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1,-1.007125735282898
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2989517450332642
+C[NH+]1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.351923942565918
+C[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2CCC(C)(C)C)C1,-1.2446010112762451
+Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ncccn2)CC1,-0.852595865726471
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.3582847118377686
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.045522928237915
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.899714469909668
+Cc1ccc(NC(=O)C(=O)Nc2ccc(C)nc2)cc1,-1.457269310951233
+O=C(NCc1ccc(F)c(Cl)c1)N1CCc2sccc2C1,-0.724763810634613
+CC[C@H]1CCCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1,-0.9484187364578247
+O=C(c1ccc(Br)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9482022523880005
+Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1,-1.5480294227600098
+Cc1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-0.7643699049949646
+Cc1ccccc1CC(=O)NC[C@@H]1CCS(=O)(=O)C1,-1.5892844200134277
+N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.2547810077667236
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9758703112602234
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.312312126159668
+Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)C2)s1,-1.5000301599502563
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2Cl)CC1,-0.9618903994560242
+CC1(O)CCC[C@H]1NC(=O)NCc1ccccc1,-1.6918827295303345
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.1832048892974854
+Cc1nc(Cl)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.8936635851860046
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.950739324092865
+Nc1ccccc1C(=O)N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0244274139404297
+Cc1cccc(NC(=O)C(=O)Nc2ccc(C)nc2)c1,-1.4522260427474976
+O=C(N[C@@H]1CC12CCC2)N1CCC(c2ccccc2)CC1,-1.538159728050232
+C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1,-1.676132082939148
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.1603111028671265
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(N)c1,-1.049583077430725
+O=C(COc1ccccc1)Nc1ccc2c(c1)OCCO2,-1.5642385482788086
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.167937994003296
+OC(=NCc1ccccc1)c1sccc1OCc1ccccc1,-1.5328940153121948
+Fc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.1970365047454834
+N#Cc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1,-1.1594642400741577
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc([O-])cc1,-1.5339879989624023
+O=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2F)CC1,-0.9010075926780701
+C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0669857263565063
+Cc1ccc(-c2ccc(NCc3ccccc3)cc2)cc1F,-1.2586110830307007
+COc1ccccc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1,-0.8980931043624878
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.2807718515396118
+Fc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1,-0.9933623671531677
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0360287427902222
+COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1270629167556763
+N#Cc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1,-1.3102128505706787
+CS(=O)(=O)c1cccc(C[NH+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1,-1.1344801187515259
+O=C(Nc1ccccc1F)N1CCOC[C@@H]1c1ccc(Cl)cc1,-1.0050013065338135
+c1cnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1,-1.2411211729049683
+O=C(c1ccc(O)cc1F)N1CCC(Cc2ccccc2)CC1,-1.1085435152053833
+Cc1nocc1C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1,-0.8011175394058228
+O=C(Cc1ccc2c(c1)OCO2)NCc1ccccc1F,-1.3299412727355957
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9738437533378601
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0849425792694092
+Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C)[nH]n3)C2)cc1,-1.0906152725219727
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1,-0.8943753242492676
+CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.8327358365058899
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1F,-0.9584698677062988
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-1.0833302736282349
+Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2C,-1.0702335834503174
+O=C(NCC[NH+]1CCCC1)[C@H]1CC2(CCCC2)CC[C@H]1O,-1.5376965999603271
+C[NH+]1CCC(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1,-1.1980476379394531
+O=C(Nc1ccc(O)cc1O)c1cccc(-c2ccccc2)c1,-1.2129919528961182
+Cc1ccc(CCC(=O)N2CCC[C@H](NC(=O)[O-])C2)o1,-1.5491571426391602
+O=C(NC1CC(O)C1)N1CCC[C@H](c2ccc(F)cc2)C1,-1.3322852849960327
+CCOc1ccccc1C(=O)NC1CCN(C)C1,-1.615450382232666
+O=C(c1ccc(Br)cc1)N1CCCC[C@H]1[C@@H](O)c1ccccc1,-1.0222853422164917
+O=C(Cc1ccccc1)Nc1cccc(N2CCCC2=O)c1,-1.4985443353652954
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3586781024932861
+O=C(c1cc(Br)cs1)N1CCC(C(=O)N2CCCCC2)CC1,-0.8500721454620361
+Cc1ccc2c(c1)CC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)O2,-0.6754464507102966
+CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCCF,-1.30940842628479
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.1241923570632935
+O=C(Nc1ccc2nc[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1,-0.9385347962379456
+CC(C)CN=C(O)CCC(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1,-1.1133044958114624
+Cc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)on2)cc1,-1.3002405166625977
+Cc1occc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.0873290300369263
+O=C(N[C@@H]1C[C@H]2CCC[NH+]2C1)N1CCC(C2CCCCC2)CC1,-1.1442724466323853
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.358703374862671
+NC(=O)C(=O)Nc1ccc(Br)cc1,-1.6630699634552002
+CN1CC[NH+](CCC(=O)NCCc2ccc(Br)cc2)CC1,-1.4496742486953735
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0205844640731812
+C[NH+]1CCN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C1,-1.3706663846969604
+Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1102842092514038
+O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.3595821857452393
+Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3)[nH]c2c1,-0.8415966033935547
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.2257200479507446
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0921299457550049
+COc1ccc(CNC(=O)CC2CCCC2)cc1,-1.6784290075302124
+COc1cccc(C(=O)NCCN=C(O)C2CCCCC2)c1,-1.5082354545593262
+Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.4924328327178955
+C[C@H]1CC[C@H](CNC(=O)COC2CCOCC2)C1,-1.7370378971099854
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3501065969467163
+O=C(C[C@H](O)CNC(=O)c1ccccc1)c1ccc(F)cc1,-1.4536590576171875
+CC(C)(O)CC(=O)NC[C@H]1CCCN(c2ccccc2)C1,-1.5727474689483643
+O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9299657344818115
+COc1ccc(OCCOc2ccc(F)cc2)cc1,-1.6363108158111572
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.7324239015579224
+COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1,-1.1593536138534546
+Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(Br)cc2)cc1,-1.0770621299743652
+N#Cc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1,-1.3726437091827393
+O=C(N[C@@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1Cl,-0.9401935338973999
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.2254302501678467
+Cc1ccc(CC(=O)Nc2cccc(C)c2S(C)(=O)=O)cc1,-1.2224184274673462
+Cc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1,-1.3781858682632446
+Cc1ccc(C2CCN(C(=O)Nc3ccncc3Br)CC2)cc1,-0.8599609732627869
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0258793830871582
+Cc1cc(CN(C)C(=O)Nc2ccccc2)n[nH]1,-1.655053734779358
+CCC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3s2)C1,-1.0087263584136963
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0618369579315186
+O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1,-0.9786918759346008
+C[C@H]1CCC[NH+](C2CCN(C=O)CC2)C1,-1.6998064517974854
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)n1,-1.1563258171081543
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2087310552597046
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.1305445432662964
+O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-0.9847433567047119
+Cn1cnnc1CNC(=O)CC(C)(C)c1ccc(Br)cc1,-0.9758874773979187
+O=C(CNc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1,-1.1346286535263062
+Cn1ccc(NC(=O)CSCc2ccccc2)n1,-1.6280543804168701
+Cc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5334115028381348
+CC[C@H](C)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1,-1.1887115240097046
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.188452959060669
+Nc1ccc(NC(=O)N[C@H]2COC3(CCCCC3)C2)nc1,-1.5348626375198364
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(Cl)ncc1Cl,-0.7884765267372131
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2815195322036743
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2407807111740112
+O=C(N[C@H]1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1Cl,-0.8264369368553162
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.2076317071914673
+Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1,-1.2114808559417725
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0543100833892822
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5330957174301147
+O=C(Nc1ncccc1O)c1ccc(-c2ccc(F)cc2)cc1,-1.008170485496521
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1,-0.9782012104988098
+O=C(c1cccc2ncc(O)cc12)N1CCN(c2cccc(F)c2)CC1,-0.568241536617279
+CCc1nc(C(=O)NCc2ccc(Cl)cc2)cs1,-1.3003419637680054
+Cc1ccc(C2CC(NC(=O)c3ccc(F)cc3)C2)cc1,-1.1837167739868164
+Nc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0161439180374146
+Nc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1618095636367798
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1924806833267212
+O=C(Nc1ccccc1F)N1CCOC[C@H]1c1cccc(F)c1,-1.069259762763977
+O=C(Nc1cc(O)ccc1F)c1ccc(N2CCOCC2)cc1,-1.2239935398101807
+CC[C@H](C)C(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1,-1.2840219736099243
+O=C1NCCN1c1ccc(F)cc1,-1.7314153909683228
+CN1CC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O,-1.2252113819122314
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1,-1.0647224187850952
+Cc1ccc(-c2ccc(Br)cc2OCc2ccccc2)cc1,-1.2111732959747314
+c1ccc([C@@H]2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)C2)cc1,-1.4625239372253418
+Fc1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccc(F)cc2)cc1,-1.2056362628936768
+Nc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1,-1.1448332071304321
+O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)cc1,-0.9636298418045044
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.110945701599121
+Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1504334211349487
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCCC1,-1.039250135421753
+Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0425604581832886
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1131134033203125
+Cc1ccc(C[C@@H](O)CNC(=O)c2cccc(C)c2)cc1,-1.5272159576416016
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.955919086933136
+CC(C)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1,-1.3373960256576538
+CC(C)C[C@H]1CCCC[NH+]1CC(=O)Nc1cncc(Br)c1,-1.0916231870651245
+Nc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1,-1.4768282175064087
+O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1,-1.4207061529159546
+CC(C)(C)CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1,-1.5481789112091064
+Cc1ccc2cc(C(=O)NC[C@H]3CCC[NH+](C)C3)sc2c1,-1.016170859336853
+CN(C(=O)C1CCN(c2ccc(O)cc2)CC1)c1ccccc1,-1.2869679927825928
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.319316029548645
+Cc1nc(C[NH+](C)C2CCN(c3ccc(Cl)cc3)CC2)cs1,-0.8668399453163147
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6977230310440063
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8885478973388672
+O=S(=O)(CCc1ccccc1)NCc1ccc(F)cc1,-1.6550307273864746
+O=C(C[NH2+]C[C@@H]1CCCCO1)NC1CCCCC1,-1.7108509540557861
+CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1,-1.144344449043274
+C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1,-1.373919129371643
+Nc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3F)C2)cc1,-1.018553614616394
+Cc1cc(F)ccc1NC(=O)c1cccc(-c2ccccc2)c1,-1.092389702796936
+Nc1cc(Cl)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0186628103256226
+Clc1ccc(-c2cc(I)ccc2COc2ccccc2)cc1,-1.0434919595718384
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3F)CC2)cc1,-1.029793620109558
+C[C@@H]1CCCCC[C@H]1NC(=O)N1CC[NH+](C2CCOCC2)CC1,-1.2392868995666504
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2cccc(Cl)c2)C1,-1.0079573392868042
+O=C(Nc1ccc(N2CCOCC2=O)cc1)N1CCOCC1,-1.5063652992248535
+O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1=CCCCC1,-1.530116081237793
+Cc1csc(NC(=O)Cc2cc(-c3ccccc3)no2)n1,-1.258516550064087
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1,-0.9935365319252014
+CC(C)CC(=O)N[C@H]1CC[C@H](Cc2cccc(I)c2)CC1,-1.1992167234420776
+CCN1CCC(O)C(C2CCCC2)C1,-1.7773017883300781
+CC(=O)Oc1ccc(C(=O)N2CCC(C)(C)CC2)cc1,-1.4535932540893555
+Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1,-1.333833932876587
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3425655364990234
+CC(=O)c1ccc(NC(=O)c2ccc(C)c(N)c2)cc1,-1.1845800876617432
+O=C(Nc1ccc(Br)cc1)N1CCC[C@H](N2CCCC2=O)C1,-0.9818029403686523
+O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(F)c(Br)c2)C1,-0.8711326122283936
+O=C(Cc1ccc(Cl)cc1O)Nc1scnc1C1CCCCC1,-0.7965572476387024
+Cc1cc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)no1,-1.0121349096298218
+C[C@H]1CCCCN1C(=O)CCC(=O)NCc1cccc(Br)c1,-1.192697286605835
+CCOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1,-1.5371440649032593
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.0077474117279053
+CN1CCN(CC2CCN(Cc3ccc(Br)cc3)CC2)CC1,-1.1662043333053589
+O=C(NCc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)C1,-1.5142524242401123
+CC(C)N1CCN(c2ccc(C(=O)N3CCCCC3)cc2)CC1,-1.1409976482391357
+CC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(F)cc2)C1,-1.5534082651138306
+O=C(c1ccc(I)cc1)N1CC[NH+](Cc2ccccc2O)CC1,-1.0146777629852295
+CC(C)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1,-1.3352299928665161
+c1ccc(-c2noc(CN[C@@H]3CCCC4(CCCCC4)C3)n2)cc1,-1.3091598749160767
+O=C(CC[NH+]1CCCCC1)N[C@H]1CCCC[C@H]1c1ccccc1,-1.4881492853164673
+Cc1ccc(C(=O)NCCNc2ccccc2)s1,-1.619921088218689
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)no1,-1.270153522491455
+CC[C@H]1CCCN(C(=O)NCc2csc(C)n2)C1,-1.273037075996399
+Cc1ccccc1NC(=O)C1CCN(c2cccc(F)c2)CC1,-1.0062572956085205
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110274076461792
+Cc1nc(NCC2CCOCC2)nc(-c2ccccc2)c1Br,-0.7987730503082275
+CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCCS(=O)(=O)[O-])C1,-1.4583017826080322
+Cc1nc(Cc2ccccc2)no1,-1.8617351055145264
+CN1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1,-1.0634173154830933
+CCCc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1,-1.5652225017547607
+Cc1cc(NCc2ccccc2-c2ccccc2)nc(C)n1,-1.0197012424468994
+Cc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.3423138856887817
+COc1ccc(NC(=O)Nc2cc(C)[nH]n2)cc1,-1.6100492477416992
+[N+]c1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1,-1.1615242958068848
+C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3)cc2)CC1,-1.1954554319381714
+Cc1ccc(NC(=O)NCc2ccccc2)cn1,-1.6547092199325562
+Cn1ncc(C(=O)N[C@H]2CCC[NH+](C)C2)c1-c1cccs1,-0.938257098197937
+O=C(C(O)=Nc1cccc(Br)c1)N1CCN(Cc2ccccc2)CC1,-1.0564035177230835
+CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(O)c2)CC1,-1.0301141738891602
+O=C(COc1ccc(O)cc1)N1CCC[C@@H](c2ccccc2)C1,-1.4582322835922241
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F,-0.8075275421142578
+CCCCOc1cccc(C(=O)Nc2ccccc2)c1,-1.6346888542175293
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1F,-1.2608369588851929
+Cc1ccccc1C(=O)N[C@H]1CCCO[C@H]1c1ccc(F)cc1,-1.0973278284072876
+O=C(C1CCOCC1)N1CC[NH+](Cc2ccc(Br)cc2F)CC1,-0.9702473878860474
+Cc1cc(Br)ccc1NC(=O)N1CCCCC1C1CCCCC1,-0.9190459847450256
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2783446311950684
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439519047737122
+CC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-1.2090377807617188
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9538208842277527
+O=C(Nc1ccccc1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.038588047027588
+CCC[NH+]1CC[C@H](NC(=O)Nc2cc(C)on2)C1,-1.6722424030303955
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5307544469833374
+Oc1ccccc1,-2.1280078887939453
+O=CN[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.6334935426712036
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.3614318370819092
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2[nH]1,-1.0361061096191406
+CC(C)CC(=O)N1CCC(C(=O)NC2CCC[NH2+]CC2)CC1,-1.2373051643371582
+c1ccc(CN2CCC[NH+](Cc3cc4ccccc4o3)CC2)cc1,-1.4460599422454834
+O=C(NCc1ccc(F)c(F)c1)c1ccc2ncoc2c1,-0.9583621025085449
+Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.0917202234268188
+O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(F)cc1,-1.383480191230774
+Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1,-1.2525874376296997
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,-0.8380517363548279
+Cc1ccc(C[C@H](O)CNC(=O)Cc2ccccc2)cc1,-1.6385692358016968
+O=C(COCc1ccccc1)Nc1ccccc1,-1.7910609245300293
+Cn1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cn1,-1.4213398694992065
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.1253423690795898
+O=C(CSc1ccccc1)OCc1ccccc1,-1.7031956911087036
+O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-0.9648584723472595
+Cc1cccc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1,-0.7923272848129272
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6174914836883545
+C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6612298488616943
+Cc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1,-1.505639672279358
+O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CC=CCC1,-1.249192476272583
+O=C(NC[C@H]1CCCC2(CCCC2)O1)c1ccc(O)cc1,-1.574297308921814
+O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccc(O)cc1,-1.4859107732772827
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1,-1.1872165203094482
+C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CCS1,-1.1129908561706543
+CN1CCCCC1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1090739965438843
+O=C(COc1ccc(Cl)nc1)N1CCN(c2ccccc2)CC1,-1.2963526248931885
+Cc1ccc(C(=O)NCC(=O)c2ccc(O)cc2)cc1,-1.5811944007873535
+O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)CO2,-1.1021666526794434
+O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2ncsc2c1,-0.9676603674888611
+O=C(Nc1ccc(-c2ccc(F)cc2)nc1Br)c1ccccc1,-0.8279080986976624
+CC1(C)CCC[C@@H]1CNC(=O)N1CCC2(CCOCC2)C1,-1.5303348302841187
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5208983421325684
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.0607258081436157
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1,-1.2101668119430542
+Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1,-0.8852643370628357
+O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(F)cc1,-1.1214336156845093
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.486365556716919
+CC1CCN(C(=O)NC[C@@](C)(O)Cc2ccccc2)CC1,-1.5743272304534912
+Oc1cccc(-c2ccc(Cl)cc2OCc2ccccc2)c1,-1.2693651914596558
+CC(C)C(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1,-1.1583678722381592
+Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.0997921228408813
+COc1ccc(C(=O)Nc2ccc(N=C(O)CO)cc2)cc1,-1.537596344947815
+Cc1ccc(CNCCC(O)=NCCCc2ccccc2)cc1,-1.5509365797042847
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)nc1,-1.0696555376052856
+O=C(N[C@H]1CCCN(c2cccc(F)c2)CC1)c1ccccc1,-1.2646268606185913
+C[C@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@H]1c1ccccc1,-0.9505834579467773
+CC(C)c1ccc(Cn2c(S)nnc2-c2ccccc2)cc1,-0.9113009572029114
+C[NH+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4238768815994263
+N#Cc1ccc(NC(=O)N2CCCC2c2ccccc2)cc1,-1.3491414785385132
+O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.1827523708343506
+COc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1,-1.11519193649292
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1,-1.2292039394378662
+O=C(Nc1cc(F)ccc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.743829607963562
+O=C(NC1CCOCC1)N1CCC[C@H](c2ccc(Cl)cc2)CC1,-1.2005484104156494
+c1ccc(-c2ccc(C[NH+]3CCC[C@@H]3c3ccccc3)cc2)cc1,-1.359912633895874
+O=C(N[C@@H]1CC12CCCC2)C1CC[NH+](C2CCCC2)CC1,-1.3360437154769897
+O=C(NCc1cccc(O)c1)N1CCC2(CCOCC2)C1,-1.574205756187439
+Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCS(=O)(=O)C1,-1.292960286140442
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2562766075134277
+O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1,-0.9426690936088562
+O=C(Nc1ccc(O)cc1)[C@@H]1CCCN(c2ncccc2Cl)C1,-0.9224935173988342
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3027502298355103
+CC(C)(C)C(=O)NCc1ccc(N2CCOC2=O)cc1,-1.4597580432891846
+Cc1cccc(OCC(=O)Nc2cc(Br)c(F)cc2F)c1,-0.9594084024429321
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc([O-])cc1,-1.207353949546814
+C[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)C1,-1.0287233591079712
+C[C@@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@H]1c1ccccc1,-0.9373341202735901
+O=C(c1ccc([O-])cc1)N1CCN(Cc2ccccc2F)CC1,-1.086343765258789
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,-1.2197612524032593
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(I)cc1,-1.235597848892212
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1556289196014404
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0377627611160278
+CC(C)COc1ccc(CNC(C)(C)C)cc1,-1.6794806718826294
+O=C(c1ccccc1)N1CCNCC1,-1.7879638671875
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1382638216018677
+CN1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2)CC1,-1.5628634691238403
+CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.0848965644836426
+Cc1cccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)n1,-0.9734233617782593
+CCOc1ccc(NC(=O)c2cnc(Cl)s2)cc1,-1.2438842058181763
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382975578308105
+O=C(CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2,-1.3535223007202148
+CC(C)COCC(=O)Nc1ccc(C(C)C)cc1,-1.6780067682266235
+COc1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1,-1.3554062843322754
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2517895698547363
+COc1ccc(C(=O)NCc2cc(C)on2)cc1,-1.613180160522461
+CC(C)(C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1983668804168701
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4324071407318115
+Cc1ccc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1,-1.2363710403442383
+O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2)CC1,-1.4824626445770264
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8485430479049683
+Cc1cccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)n1,-1.502032995223999
+C[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.3440335988998413
+O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1O,-1.1734199523925781
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1851918697357178
+COc1ccccc1C(=O)N1CCC(c2ccc(N)cc2)CC1,-1.0575155019760132
+COc1ccc(N2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-0.9696300029754639
+O=C(NC[C@@H]1CCCSC1)Nc1cccc(Br)c1,-1.4992839097976685
+O=C(CC1CCCCC1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4702980518341064
+Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1,-1.123354196548462
+Cc1ccc(COc2ccc(-c3ccc(C)cc3)cc2)cc1,-1.4354548454284668
+C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.900144100189209
+CCc1cc(C(=O)N2CCCO[C@@H](C)C2)n(-c2ccccc2)n1,-1.0976126194000244
+COc1ccc(COc2cccc(C(C)C)c2)cc1,-1.588031530380249
+Nc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.311138391494751
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1C,-1.379839539527893
+O=C(NC[C@H]1CCCCO1)Nc1ccc(F)cc1,-1.658007264137268
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1352503299713135
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(F)c1,-1.0488086938858032
+CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2,-1.2087608575820923
+Cc1csc(NC(=O)c2cc(-c3cccc(F)c3)on2)n1,-0.9297834634780884
+CC(C)(C)[NH+]1CCCN(C(=O)Nc2ccc(Cl)cn2)CC1,-0.9957560300827026
+O=C(C[C@H](O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1,-1.2145692110061646
+O=C(Nc1ccc(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.8277139663696289
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1680811643600464
+Cc1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0993455648422241
+Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9741332530975342
+CCN1CCN(C(=O)N2CCN(c3cccc(F)c3)CC2)CC1,-0.9617819786071777
+CC(C)NC(=O)c1ccn(Cc2ccccc2)n1,-1.6499851942062378
+CC(C)C[NH+]1CCN(C(=O)COc2cccc(F)c2)CC1,-1.3414638042449951
+O=C(Nc1ccccc1)[C@H]1CCN(c2cccc(Cl)c2)C1=O,-1.0816107988357544
+Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,-1.0350329875946045
+O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,-1.3586970567703247
+Cc1ccc(C)c(-c2nsc(NCc3ccc(Br)cc3)n2)c1,-0.6405137181282043
+CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,-1.203150987625122
+O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,-1.5308961868286133
+Cc1ccc(CNC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9365110397338867
+Cc1nc(-c2ccc(NC(=O)N3CC[C@H](C)C3)cc2)n[nH]1,-1.068687081336975
+O=C(Nc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1,-1.5417910814285278
+O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.1593700647354126
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.319398045539856
+NC(=O)c1ccc(NC(=O)c2ccc(F)c(O)c2)cc1,-1.1805438995361328
+Nc1ccc(NC(=O)Cc2csc(C3CCCC3)n2)cc1,-1.1732326745986938
+Cc1ccc(N2CCC(C(=O)Nc3ccccn3)CC2)c(C)c1,-1.0096710920333862
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1776456832885742
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2188345193862915
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0203739404678345
+Nc1ccc(C[NH+]2CCN(C(=O)N3CCCCCC3)CC2)cc1,-1.282325029373169
+O=C(NCc1ccccc1)N1CC[C@H](O)C2(CCCC2)C1,-1.552101731300354
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.3284695148468018
+Oc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1,-1.0701738595962524
+COc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1,-0.9893353581428528
+[N+]c1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9850088953971863
+Cc1cc(C(=O)NCc2cccc(C#N)c2)ccc1Cl,-1.239965558052063
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2389382123947144
+O=C(Nc1ccc(C2CCCC2)cc1)c1ccc2ocnc2c1,-1.1059623956680298
+O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.7581297755241394
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.3251886367797852
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.0673983097076416
+O=C(N[C@H]1CCC[C@@H](F)C1)C1CCN(c2ccccc2F)CC1,-0.9621238708496094
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,-1.2186241149902344
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9380170702934265
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.1325386762619019
+COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1,-1.3871525526046753
+Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.9789610505104065
+O=C(Nc1ccc(N2CCCC2)nc1)c1cc2ccccc2s1,-0.9586280584335327
+Cc1cccc(CNC(=O)c2cc3ccc(F)cc3s2)c1,-1.0007059574127197
+c1ccc(OCc2ccc3cnc(-c4ccccc4)nc3c2)cc1,-1.0882078409194946
+Clc1ccc(NCc2ccccc2-c2cccc(Cl)c2)cc1,-1.0311408042907715
+Cc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)on1,-1.1257675886154175
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1cccc(N2CCCCC2)c1,-1.0964486598968506
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9688486456871033
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccccc1F,-0.9971722364425659
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1O,-0.6444209218025208
+Cc1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)cc1,-1.0404728651046753
+O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.0728950500488281
+Cc1cc(O)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.1998066902160645
+c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1,-1.161513090133667
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)no1,-1.0478471517562866
+O=C(NCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1,-1.035444736480713
+O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H]([NH+]2CCOCC2)C1,-0.906670331954956
+Cn1ccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)c1,-1.3245601654052734
+O=C(Cc1ccc(F)cc1)NCc1cccc2[nH]cnc12,-1.1484166383743286
+CN1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)C1=O,-1.1229007244110107
+O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Oc2ccccc2F)C1,-0.9855653643608093
+Fc1ccc(-c2ccc(Cl)cc2)c(OCc2ccccc2)c1,-1.1685599088668823
+Cc1ccc(C(=O)NC[C@H]2CCOC3(CCC3)C2)c(C)c1,-1.4334733486175537
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Br)cc1,-1.4161012172698975
+O=S(=O)(CCc1ccccc1)NCc1ccc(F)cc1,-1.6087762117385864
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1327760219573975
+O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.7278820872306824
+Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C)on2)cc1,-1.3411049842834473
+Cc1nnc(NC(=O)c2cc(-c3ccc(I)cc3)no2)s1,-0.6896160244941711
+O=C(CCCn1cccn1)Nc1ccc(N2CCOCC2)cc1,-1.5144493579864502
+Cc1ccccc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1,-1.0921953916549683
+CNC(=O)c1ccc(OC)cc1,-1.8529410362243652
+Cc1ccc(CNC(=O)N2CCc3nn(C)cc3C2)cc1,-0.9942189455032349
+O=C1CCC([NH+]2CCC[C@H](NC(=O)c3ccccc3)C2)CC1,-1.360466480255127
+O=C(N[C@@H]1CCCC[C@@H]1O)N1CCO[C@@H](c2ccc(F)cc2)C1,-1.1781561374664307
+O=C(NCc1ccc(O)cc1)NC1CCOCC1,-1.6830573081970215
+CCc1n[nH]cc1[C@H]1CCCCN1C(=O)c1ccc(N)cc1F,-0.5408380627632141
+Cc1cc(N)ccc1C(=O)Nc1ccc(N2CCCCC2)nc1,-0.9484875202178955
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1cccnc1O,-0.9849054217338562
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.0426673889160156
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCO[C@@H](c2ccc(Br)cc2)C1,-1.1475759744644165
+Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1,-0.7707595825195312
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.9993082284927368
+Fc1cccc(-c2nc(C[NH2+][C@@H]3CC34CCOCC4)cs2)c1,-1.1210355758666992
+CC1(C)CCN(C(=O)NCc2c[nH]c3ccccc23)CC1,-1.2426637411117554
+O=CNc1ccc(F)cc1,-1.9854271411895752
+O=C(COCc1ccccc1)N1CCOC12CCCCC2,-1.6781890392303467
+CC(C)C[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,-0.858426034450531
+c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0717798471450806
+O=C([C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.7777013778686523
+Oc1nc(COc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.0800697803497314
+C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(-c2ccccc2)cc1,-1.3905212879180908
+Oc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1Cl,-1.2865502834320068
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl,-0.9825271368026733
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172341227531433
+O=C(CC1CCCCC1O)NC1CCN(c2ccccc2)CC1,-1.3674938678741455
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4081833362579346
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1,-1.1814590692520142
+Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1,-1.5365569591522217
+c1ccc(N2CCN(Cc3ccccc3N3CCCC3)CC2)cc1,-1.2879517078399658
+CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1,-1.6606113910675049
+Clc1cccc(-c2ccc(NCc3ccc(Br)cc3)nn2)c1,-0.8035683035850525
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9550792574882507
+Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0936131477355957
+Cc1ccccc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1,-1.1237126588821411
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n[nH]1,-0.9065027832984924
+Nc1ccccc1CC(=O)Oc1ccccc1-c1ccccc1,-1.3440111875534058
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0828478336334229
+CC(C)(O)CNC(=O)N1CCOC[C@@H]1c1cccc(F)c1,-1.5534249544143677
+CC[C@H]1C[NH+](CCC(=O)NCC2CCCCC2)CCO1,-1.626294732093811
+Cc1nc(CC(=O)N2CCC[C@H]2Cc2ccccc2)cs1,-1.1982269287109375
+O=C(NC[C@H](O)Cc1ccc(Cl)c(Br)c1)c1ccccc1,-1.1497622728347778
+Fc1ccc(Cl)cc1N1CCC(COc2ccccc2)CC1,-1.1463966369628906
+O=C(N[C@@H]1CCCC[C@H]1F)N1CCCC[C@@H]1c1ccc(Br)cc1,-0.7713581919670105
+Clc1ncc(-c2ccc(Br)cc2)c(NCc2ccccc2)n1,-0.8164520263671875
+O=C(NCc1cccc(Br)c1)c1cc2cc(Br)ccc2[nH]1,-0.8537567257881165
+c1ccc(-c2nc(C[NH+]3CCCC[C@H]3c3ccccc3)no2)cc1,-1.1706223487854004
+O=C(CCc1ccccc1)Nc1ccc(C2CCCCC2)cc1,-1.5037651062011719
+Fc1ccc(C[NH+]2CC[C@]3(CN(c4ccc(F)cc4)CCO3)C2)cc1,-1.1692218780517578
+O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2nc[nH]c2c1,-0.8883170485496521
+O=C(Nc1ccc(Br)cc1F)N1CCC(c2ccccc2)CC1,-0.8791358470916748
+Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2363530397415161
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1584453582763672
+C[C@H]1Cc2cc(NC(=O)COc3ccccc3)ccc2O1,-1.5348082780838013
+Cc1ccc([C@H]2CCN(C(=O)N[C@H]3CC[NH+](C)C3)C2)cc1,-1.2351138591766357
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3829021453857422
+CCCN1CCC(CNC(=O)c2ccc(C)c(C)c2)CC1,-1.3437995910644531
+Cc1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1,-1.3605833053588867
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.363089919090271
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.243486762046814
+O=C(c1ccc2c(c1)CCC2)N1CCCCC1c1nc2ccccc2[nH]1,-0.5851145386695862
+Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)[nH]1,-1.2003320455551147
+Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1,-0.9922122359275818
+CCC1CCN(C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1,-1.0284513235092163
+CC(O)C(=O)N1CCC(CCNC(=O)C(C)(C)C)CC1,-1.5226240158081055
+c1ccc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1,-1.101835012435913
+Cc1ccc(N)c(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1,-0.7710000872612
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0846538543701172
+CC(NCc1ccc(F)cc1)C(=O)N1CCN(C)CC1C,-1.095194697380066
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9950497150421143
+O=C(N1CCCC1)N1CC[NH+](Cc2cc3ccccc3o2)CC1,-1.400854229927063
+Cc1ccc(CC(=O)NC[C@H](O)Cc2ccccc2)cc1,-1.591477394104004
+CS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1,-1.1545668840408325
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCC[C@@H]1O,-0.9940621852874756
+Cc1ccc(-c2ccc(OCc3ccc(O)cc3)cc2)cc1,-1.468577265739441
+COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1,-1.0876576900482178
+O=C(NCc1ccc2c(c1)CCCC2)c1cccc(Br)c1,-1.0723568201065063
+C[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)C1,-0.808781623840332
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br,-1.2361559867858887
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.501094102859497
+CC(C)C(N)C(=O)Nc1ccc(Sc2ccccc2)cc1,-1.3183985948562622
+O=C1CSc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2N1,-0.7618675827980042
+C[NH+]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)C1,-1.230823040008545
+O=C(NCCCc1ccccc1)Nc1ncccc1Cl,-1.5295990705490112
+O=C(CCc1ccc(O)cc1)NCc1ccc(F)cc1F,-1.4112954139709473
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2[nH]1,-0.9444286227226257
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nn1,-0.939423680305481
+Cc1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1,-1.190686583518982
+O=C(Nc1ccc2[nH]ccc2c1)c1ccc(N2CCCC2)cc1,-1.1407629251480103
+Cc1nc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2[nH]1,-0.879764974117279
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.0933538675308228
+C[C@@H]1C[C@@H](NC(=O)c2ccccc2Br)CCN1c1ccccc1,-0.9313292503356934
+O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2F)C1)C1CCCCC1,-0.9098567962646484
+O=C(Nc1ccc(O)cc1Cl)C1CCN(c2ccccc2)CC1,-0.9649338126182556
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.078237771987915
+CC(C)N1CC[C@H](NC(=O)c2ccc(Br)cc2O)C1=O,-0.7457653284072876
+c1ccc(C[NH+]2CCN(c3ccc(-c4ncon4)cc3)CC2)cc1,-1.2337194681167603
+CS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1,-1.5759446620941162
+O[C@@]1(Cc2ccc(F)cc2)CC[NH+](Cc2ccccc2Cl)C1,-1.3039116859436035
+Cc1ccccc1CN1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1898105144500732
+CC1(C)CC[C@H]([NH+]2CCCCC2)C1,-1.803236722946167
+CC(C)CN1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.9760266542434692
+Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)no1,-0.8975905776023865
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595061540603638
+O=C(Cc1ccncc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.2378877401351929
+CCOc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5830436944961548
+COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cn1,-1.024833083152771
+O=C1CN(c2ccc(NC(=O)c3ccccc3)cc2)CCN1,-1.4011873006820679
+COc1ccc(-c2noc(-c3csc(-c4ccccc4)n3)n2)cc1,-0.876214861869812
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1823015213012695
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.7273635864257812
+CC1(C)CCN(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1,-1.1687694787979126
+Oc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1F,-1.3157451152801514
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1664246320724487
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(Cl)cc2)cc1,-1.3842731714248657
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1821060180664062
+CCC(=O)N[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O,-1.133026123046875
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)c1,-0.9895390868186951
+Cc1cc(Cl)c(NCC(=O)Nc2ccc(Br)cc2)c(Cl)c1,-0.6555172204971313
+CC(C)(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1,-1.2203699350357056
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.85394287109375
+Cc1ncccc1NC(=O)N1CCN(c2cccc(F)c2)CC1,-0.9142183065414429
+O=C(Nc1ccccc1Cl)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9918359518051147
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0208238363265991
+CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5513262748718262
+Cn1ncc(C(=O)Nc2ccc(F)cc2)c1C1CCCC1,-0.9079427123069763
+CCc1cc(C(=O)NCc2cccc(F)c2)no1,-1.6266621351242065
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(C)cc2)C1,-1.3502804040908813
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3322746753692627
+O=C(c1ccc(O)cc1)N1CCNCC1,-1.700196385383606
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.102327823638916
+Fc1cccc(CNc2cc(Cl)ccc2-c2ccccc2)c1,-1.0982271432876587
+O=C(Nc1cccc2occc12)N1CCC[C@@H]1c1ccccc1,-1.1464760303497314
+O=C(NC[C@@H]1CCCCO1)Nc1ccc(Br)cn1,-1.5161386728286743
+COc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)cc1,-1.4656240940093994
+CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1,-1.1604864597320557
+O=C(c1ccc(Br)s1)N1CC[C@H](Cc2ccc(F)cc2)C1,-0.9316748380661011
+Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.103347897529602
+Cc1ccc(N2CC[C@H](NC(=O)c3cc(C)on3)C2)cc1,-1.2314931154251099
+CC(C)c1ccc(CNC(=O)C2CCCCC2)s1,-1.5667972564697266
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.056428074836731
+Cc1noc(-c2cccc(NC(=O)c3cnn(C)c3)c2)n1,-1.0888500213623047
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0179005861282349
+Cc1ccc(-c2ccc(NCc3ccc(F)cc3)nc2)cc1,-1.1827392578125
+c1ccc(-c2ccc(Nc3ncc(-c4ccccc4)s3)cc2)cc1,-1.1317176818847656
+COc1ccccc1CNC(=O)CC1CCCCCC1,-1.6066646575927734
+Cc1cc(O)nc(N2CCCCC2)n1,-1.5976814031600952
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9543662667274475
+CC(O)=Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,-0.8242236375808716
+Oc1ccc(COc2ccc(O)cc2-c2ccccc2)cc1,-1.4513710737228394
+Cc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.0882593393325806
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(Cl)c1,-0.9736546277999878
+Cc1ccc(NC(=O)[C@H]2CCCCN2c2ccccc2F)cc1,-1.1279821395874023
+Nc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.327020525932312
+Cc1noc(-c2ccc(C(=O)NCCC(C)(C)O)cc2)n1,-1.4582840204238892
+C[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[NH+]1C1CCCCC1,-0.9905528426170349
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Br)cc2)CC1,-1.0433199405670166
+Cc1[nH+]cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)o1,-1.167180061340332
+O=C(c1cccc(F)c1)N1CC[NH+](CCN2CCOCC2)CC1,-1.440168023109436
+O=C(Nc1ccc(Br)cc1F)N1CCC(c2ccccc2)CC1,-0.8294126987457275
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.8915891051292419
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.837998628616333
+COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCO2,-1.1707971096038818
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Br)cc1)CC2,-0.9482600092887878
+COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.1881041526794434
+CN1CC[NH+](Cc2ccc(F)cc2)CC1,-1.7059677839279175
+OC1(Cc2ccc(Br)cc2)CCN(Cc2ccccc2)CC1,-1.459493637084961
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)nc1,-1.0089625120162964
+O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Cl)cc1,-1.1453081369400024
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898791313171387
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464664697647095
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-1.0073672533035278
+Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.2658385038375854
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.2389347553253174
+CCc1ccc(C(=O)OCc2cnn(C)c2)cc1,-1.6174851655960083
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCC1,-1.0822925567626953
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-0.9915417432785034
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1,-0.9639396071434021
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.531111478805542
+Clc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1Cl,-1.169539451599121
+O=C(NCc1ccc(O)c2ncccc12)[C@@H]1CC12CCC2,-1.0766268968582153
+COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1,-1.1985613107681274
+CS(=O)(=O)C1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1,-1.3470886945724487
+CC(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1,-1.1393764019012451
+COc1ccccc1C(=O)N1CCN(c2cccc(F)c2)CC1,-1.0586143732070923
+NS(=O)(=O)c1ccc(CN2CCC(c3ccc(Cl)cc3)CC2)s1,-0.9049867391586304
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1860175132751465
+CC(C)(O)CNC(=O)N1CCN(c2ccc(N)cc2)CC1,-1.4227268695831299
+CC(=O)N1CCN(C(=O)Nc2cccc(Br)c2)C[C@@H]1C,-1.027058720588684
+CC(C)(O)CNC(=O)c1ccc(N2CCC(O)CC2)cc1,-1.5227324962615967
+C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.080432415008545
+Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4002119302749634
+C[NH+]1CCN(C(=O)[C@@H]2CCCOC2)[C@H](Cc2ccccc2Cl)C1,-0.9874445796012878
+O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.1174453496932983
+Cc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,-1.0897482633590698
+Cc1cc(NC(=O)C2CCCC2)n(-c2ccc(Br)cc2)n1,-0.934200644493103
+CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCOC1,-1.588566541671753
+Fc1ccc(Cl)cc1CNC1CCCN(c2ccccc2)C1,-1.0107011795043945
+Fc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.165975570678711
+O=C1CN(c2ccc(NC(=O)C3CCCCC3)cc2)CCN1,-1.3037127256393433
+CCCCC(=O)N1CCN(C(=O)COC2CCCCC2)CC1,-1.52212393283844
+Cc1ccc(CNC(=O)C2CCS(=O)(=O)CC2)cc1,-1.5807232856750488
+O=C(CNc1ccccc1Br)N1CCN(c2ccccc2)CC1,-1.253147840499878
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3386684656143188
+O=C(Cc1ccccc1)NC[C@@H]1CCC2(CCOCC2)O1,-1.6546121835708618
+Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1O,-1.4945403337478638
+O=C(CCc1ccc(O)cc1)NCc1ccc(O)cc1F,-1.3990304470062256
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1,-1.1550402641296387
+Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1C,-1.0869956016540527
+CCc1ccc(NC(=O)Nc2nnc(C)s2)cc1,-1.272704005241394
+O=C(Nc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1,-1.123917818069458
+O=C(Nc1ccc(O)cc1)Nc1nc2ccc(F)cc2s1,-0.9429194927215576
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0698840618133545
+Cc1cc(O)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0668033361434937
+Fc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1129224300384521
+O=C(c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1,-1.3390110731124878
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6907997131347656
+c1ccc(CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1,-1.2939525842666626
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3468762636184692
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.155073642730713
+Nc1cc(Cl)ccc1C(=O)N1CCC(Cc2ccccc2)CC1,-0.9526970982551575
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.698243260383606
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)no1,-0.9917040467262268
+O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5561186671257019
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.974806010723114
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210103750228882
+CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(O)c1,-1.6102728843688965
+CC(C)(C)CC(=O)N1CCC(OCc2ccccc2)CC1,-1.5639053583145142
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0312787294387817
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1568275690078735
+Nc1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1,-1.3490980863571167
+C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1,-1.434722900390625
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3689686059951782
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(F)c1,-1.0509029626846313
+Cc1n[nH]c(C)c1NC(=O)CSc1ccc(F)cc1,-0.9702143669128418
+CC1(C)CN(C(=O)c2ccc(Cl)cc2)CCN1c1ccc(F)cc1,-0.7918522357940674
+O=C(NC1(N2CCCC2=O)CCOCC1)c1ccc(F)cc1,-1.372700810432434
+CC[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+](C)C2)C1,-1.5787938833236694
+CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1,-1.0426169633865356
+CC1(O)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1,-1.5716127157211304
+O=C(N[C@@H]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-1.1099092960357666
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9368076324462891
+C[NH+]1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5594149827957153
+O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,-1.4999628067016602
+Cc1ccc([C@H]2OCC[C@H]2NC(=O)[C@H]2CC[C@H](F)C2)cc1,-1.1698249578475952
+Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2990660667419434
+CC(C)[NH+]1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,-1.0896328687667847
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874283671379089
+Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1Cl,-1.1856633424758911
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1323400735855103
+Cc1nnc(SCC(=O)NC[C@H]2CCCOC2)s1,-1.3463393449783325
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Br)cc2)CC1,-0.8850724697113037
+Cc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1,-1.2286136150360107
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700076818466187
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.256026029586792
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0706650018692017
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.1312751770019531
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC[NH+]2CCC[C@H]2C1,-1.0816218852996826
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1CCCCC1,-1.2416179180145264
+Cc1cc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0217247009277344
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nn2)c(Cl)c1,-0.8198453783988953
+O=C(O)C1CCC(COCc2ccccc2)CC1,-1.6812182664871216
+CC(C)(C)C(NC(=O)N1CCC(F)CC1)c1ccccc1,-1.1708738803863525
+Cc1ccc(CN2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.1065007448196411
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)n[nH]1,-0.9699277281761169
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,-1.0334432125091553
+Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-0.9875251054763794
+O=C1CN(c2ccc(NC(=O)c3ccccc3)cc2)CCO1,-1.4948241710662842
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1cccc(F)c1,-1.2930883169174194
+Cc1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cs1,-1.0744779109954834
+O=C(NCc1ccccc1)Nc1ccc(Br)cc1,-1.5749872922897339
+Cc1cc(OCC(=O)Nc2ccc(F)cc2)c(F)cc1Cl,-0.9075497984886169
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1830542087554932
+N#Cc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1,-1.5558418035507202
+O=C(Nc1ccc(N2CCCC2)cc1)c1nc2ccccc2o1,-1.138661503791809
+CN1CCN(C(=O)c2ccc(C(=O)N3CCCC3)cc2)CC1,-1.1655749082565308
+C[C@@H]1CN(c2ccccc2NCc2ccccc2)C[C@H](C)O1,-1.4765006303787231
+O=C(NCc1ccc(F)c(Br)c1)N1CC[NH+]2CCC[C@H]2C1,-0.7444897890090942
+Cc1ccc([C@@H]2OCC[C@@H]2NC(=O)C[NH+]2CCCC2)cc1,-1.5161329507827759
+Cc1ccccc1CC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.1585370302200317
+Cc1nc(C[NH+]2CCN(C(=O)c3sccc3C)CC2)cs1,-0.8909459114074707
+Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0395581722259521
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5255472660064697
+CC(NC(=O)c1ccc(Br)cc1)C(O)=NC1CCOC(C)(C)C1,-1.13284170627594
+O=C(c1ccc2cc(O)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.5748156309127808
+Fc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1,-1.141909122467041
+O=C(c1ccc(Cl)cc1)N1CC[NH+](CCC2CCOCC2)CC1,-1.230795979499817
+CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CCN2,-1.048034906387329
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4777158498764038
+Cc1cccc(C[C@@H](O)CNC(=O)Cc2ccccc2)c1,-1.5886272192001343
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1,-1.1844617128372192
+C[NH+]1CCCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1,-1.3270951509475708
+Cn1cnc2cc(CC(=O)NCC3CCCCC3)ccc21,-1.2201220989227295
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)nc1,-1.0720432996749878
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Br)cc1,-1.0933377742767334
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-1.0039337873458862
+Cc1cc(COc2ccc(-c3ccccc3)cc2)ccc1O,-1.5248216390609741
+Cn1ccc(NC(=O)N2CC[C@@H](c3ccc(Br)cc3)C2)n1,-1.1015430688858032
+Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.4773250818252563
+Cc1ccccc1-c1ccc(NC(=O)[C@H]2CCC[NH+](C)C2)cc1,-1.1292699575424194
+Cn1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.1402784585952759
+O=C(Nc1ccc(F)cc1)N1CCC(c2ccccc2Cl)CC1,-1.0046465396881104
+Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCO[C@H](C)C2)c(F)c1,-1.1520423889160156
+Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1020561456680298
+O=C(Cc1ccc(Br)cc1)NCc1ccc2ncnn2c1,-1.0895304679870605
+O=C(Nc1ccccc1)c1ccc(C(Br)C(F)(F)F)cc1,-1.0673595666885376
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1172598600387573
+O=C(C[NH+]1CCC[C@H](c2ccccc2)C1)Nc1ccccc1F,-1.3163362741470337
+CC(=O)Nc1ccc(C[NH+]2CCc3ccc(C)cc32)cc1,-1.2243058681488037
+CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1,-0.9712672829627991
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1F,-1.1282191276550293
+O=C(NCc1ccc(O)c(Br)c1)[C@H]1CCC12CCCCC2,-1.121985912322998
+O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc2[nH]ccc2c1,-1.156691551208496
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.1703537702560425
+Cn1cc(CC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)cn1,-1.5246597528457642
+Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,-0.8983036875724792
+Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2o1,-1.0173131227493286
+COC(=O)COc1ccc(CN2CCC[C@@H](C)C2)cc1,-1.6428636312484741
+C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1,-0.5980942249298096
+CC(=O)c1cccc(CNc2nc3ccc(F)cc3s2)c1,-0.9479044675827026
+C[C@H]1C[NH+](C2CCOCC2)CC[C@@H]1NC(=O)C1CCCCCC1,-1.2409815788269043
+Cc1ccc(C(=O)N[C@@H]2CC[C@H]([NH3+])[C@H](c3ccccc3)C2)cc1,-1.1022289991378784
+Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.013420581817627
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8924611806869507
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cn2)cc1,-1.0548471212387085
+Cc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.0261787176132202
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1272245645523071
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908187866210938
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH+](C)C3)CC2)o1,-1.344235897064209
+CS(=O)(=O)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1,-1.1818817853927612
+Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1,-0.6217985153198242
+Clc1ccc(Cl)c(CN2CC[NH+](Cc3ccccc3)CC2)c1,-1.2054541110992432
+O=C(COc1ccccc1)NCc1ccccc1,-1.7473064661026
+CC1CCN(c2ccc(C(=O)Nc3ccccc3[NH3+])cc2)CC1,-1.1005620956420898
+Cc1ccc(-n2ccc(C(=O)Nc3cnn(C)c3)n2)cc1,-1.1568440198898315
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8903899788856506
+O=C(NCC1CCC1)C1CC([NH+]2CCCCC2)C1,-1.6022065877914429
+CC[NH+]1CCC(C(=O)NCc2cnc(Br)s2)CC1,-1.0533736944198608
+Cc1sc(CC(=O)N2CCC[C@H](C)C[C@@H]2C)nc1-c1ccccc1,-0.6812310218811035
+O=C(COc1ccc(Br)cc1)N[C@@H]1C[C@@H]1C1CCOCC1,-1.4124178886413574
+Cc1cc(I)ccc1-c1ccc(OCc2ccccc2)cc1,-1.1704497337341309
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,-1.0187592506408691
+Cc1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.0349971055984497
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3363689184188843
+O=C1CCC(Cc2ccc(F)cc2)N1Cc1ccccc1,-1.4255681037902832
+C[NH2+]Cc1ccccc1NC(=O)c1ccc(Cl)s1,-1.2544275522232056
+CC(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1,-1.4743163585662842
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.8957676887512207
+O=C(Nc1ccc(OCC#[Se])cc1)c1ccccc1,-1.5700739622116089
+Cc1cc(Br)ccc1NC(=O)C1CCN(c2ccccc2)CC1,-1.0501199960708618
+O=C(COc1ccccc1)NCC1CCCCC1,-1.7251700162887573
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0255354642868042
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1F,-1.1274073123931885
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-1.090622067451477
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Br)nc1,-1.1089385747909546
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.2214763164520264
+O=C(Cc1ccc(I)cc1)NCc1ccc2[nH]ncc2c1,-1.0986733436584473
+O=C(NC1CCCOCC1)N1CCC(c2ccc(F)cc2)CC1,-1.2419030666351318
+C[C@@H](CNC(=O)N1CCCC(C)(C)C1)C[NH+]1CCOCC1,-1.5406947135925293
+COc1ccc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)cc1,-1.405853271484375
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2767757177352905
+O=C(c1ccc(O)cc1)N1CCC[C@H](Oc2ccccc2)CC1,-1.476581335067749
+O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2s1,-1.2195827960968018
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0219348669052124
+O=C(O)COc1ccc(OCC(O)=NC2CCCCC2)cc1,-1.562335729598999
+Oc1cc(OCc2ccccc2)cc(-c2ccccc2)c1O,-1.4105147123336792
+C[C@H]1CN(c2ccccc2)C(=O)[C@@H]1NC(=O)c1ccccc1,-1.2454891204833984
+COc1cccc(CNC(=O)c2ccc(C)o2)c1,-1.6392725706100464
+COc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1C,-1.5385687351226807
+Cc1ccc(C(=O)N2CCC[NH+](CC3CCOCC3)CC2)cc1,-1.4077306985855103
+O=C(Nc1ncccc1F)N1CCO[C@H](c2cccc(F)c2)C1,-0.9853167533874512
+Cc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.457823634147644
+Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,-0.988059401512146
+O=C(N[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1)c1cc2ccccc2s1,-1.008467197418213
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464805364608765
+C[C@@H]1CCCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1,-1.1652088165283203
+O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1,-1.0723958015441895
+Cc1nc(O)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0271843671798706
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3484517335891724
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9898497462272644
+C[C@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cl)cc1,-0.9715152978897095
+O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2235651016235352
+CCNC(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.617962121963501
+NC(=O)C(=O)Nc1ccc(-c2cccc(Br)c2)cc1,-1.3055095672607422
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3922632932662964
+O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CC12CCOCC2,-1.4266786575317383
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8730582594871521
+Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1,-1.1268727779388428
+C[C@@H](Sc1nnc(O)n1-c1ccc(Cl)cc1)c1ccccc1,-0.8228843212127686
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccn2)CC1,-0.9505854249000549
+Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(C)c1,-1.0483289957046509
+O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.4633980989456177
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.521964430809021
+CC[C@H](C)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1,-1.3128539323806763
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0301917791366577
+Cc1cc(NC(=O)c2ccsc2)nn1-c1ccc(Cl)cc1,-0.9652450680732727
+Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,-1.1614975929260254
+CCOc1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21,-1.3326849937438965
+CC1CN(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCO1,-1.4302245378494263
+Fc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.097520112991333
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(O)cc2)cc1,-1.5298327207565308
+O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1)c1ccccc1O,-0.9395300149917603
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0396568775177002
+C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4754067659378052
+CC(C)COc1ccccc1C[NH2+]c1ccccc1,-1.6540578603744507
+C[C@H](CC(=O)NCc1ccc([O-])cn1)c1ccc(Br)cc1,-1.1289409399032593
+Cc1ccc(C2CCN(C(=O)Nc3cccnc3O)CC2)cc1,-1.0688526630401611
+CC(C)C(=O)N1CCC(CC(O)=NCCc2ccc3ccccc3c2)CC1,-0.852383553981781
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1,-1.3767114877700806
+O=C(N[C@H]1CCCC[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.0047119855880737
+O=C(N[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(F)c1F,-1.009796142578125
+O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1,-0.7859096527099609
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(F)cc1,-1.5089191198349
+O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1)c1cccc(O)c1,-1.3089519739151
+Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(Cl)c1,-0.8835386037826538
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1,-1.3424941301345825
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2o1,-1.2442384958267212
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2O)CC1,-1.1405988931655884
+C[C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N1C1CCCCC1,-1.0229548215866089
+Cc1cc(NC(=O)N2CCC(C(=O)[O-])CC2)ccc1F,-1.0755877494812012
+O=C(Cc1ccccc1)N1CC2(CCN(c3ccc(F)cc3)C2)C1,-1.378464937210083
+C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1,-1.0300524234771729
+CC(C)(CNC(=O)c1ccc(Br)cc1)c1ccc(I)cc1,-0.9731858372688293
+c1ccc(CN2CC[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1,-1.4742645025253296
+Nc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cn1,-1.2650337219238281
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9664687514305115
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(C2CCOCC2)o1,-1.2074424028396606
+Cc1ccc2cc(N3CCN(C(=O)c4cccc(O)c4)CC3)ccc2n1,-0.6464182138442993
+Cc1nc(N)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.0674790143966675
+NS(=O)(=O)[C@H]1CCCN(C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0783069133758545
+O=C([C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)N1CCOCC1,-0.9225360155105591
+CCNC(=O)N1CCN(C(=O)c2ccccc2)CC1,-1.5729963779449463
+O=C(N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1,-0.8171036243438721
+C[C@](O)(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1,-1.4880766868591309
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Br)cc2)CC1,-0.8989883065223694
+Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1,-1.072401762008667
+Cc1ccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)c(C)c1,-1.1308822631835938
+CC[NH+]1CCC[C@H](C(=O)N2CCN(c3ccc(C)cc3)CC2)C1,-1.0743640661239624
+C[C@H]1C[NH+](CCNC(=O)c2ccc(Cl)cc2)CCC1=O,-1.290456771850586
+Cc1nc(C2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)no1,-0.7151315808296204
+Cc1ccc(NC(=O)c2ccc(-c3nsc(C)n3)cc2)s1,-0.8152539730072021
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.890346109867096
+C[C@@H]1CCCN(C(=O)COc2ccc(C(=O)O)cc2)C1,-1.4475951194763184
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Br)cc2)C1,-0.9273734092712402
+[NH3+][C@H]1CCCC[C@@H]1[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9007697701454163
+O=C(Nc1ccc(Br)cc1F)N1CCN(c2ccccc2)CC1,-0.8826571702957153
+Cc1ccc(NC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1,-1.1842081546783447
+Cc1ccc(C[C@@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5502078533172607
+O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8627256155014038
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1059749126434326
+Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C)cc1,-0.9556034803390503
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1556453704833984
+O=C(NC1CCCCC1)c1ccc(OCCCO)cc1,-1.6146864891052246
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.1456623077392578
+Cc1ccc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1,-0.9733638763427734
+O=C(Nc1cn2ccccc2[nH+]1)c1ccc(-c2nc[nH]n2)cc1,-1.0565471649169922
+Cc1cccc(N2CCC(NC(=O)N3CCSC[C@H]3C)CC2)c1,-0.9386683106422424
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.912635087966919
+O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1,-1.1070233583450317
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.1150519847869873
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1754833459854126
+COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]([NH3+])C2)cc1,-1.1011487245559692
+C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.1533045768737793
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8974210619926453
+Cc1ccc(F)c(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c1,-1.026664137840271
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.2610501050949097
+C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)C1,-1.214255928993225
+O=C(NCC(F)(F)F)N1CCC(c2ccc(F)cc2)CC1,-0.9448384046554565
+O=C1NCCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(F)c2)C1,-1.124011516571045
+Cc1ccc(C(=O)NCc2ccc(CO)cc2)o1,-1.6848721504211426
+O=C(c1ccc([O-])cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.1120705604553223
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.1845899820327759
+Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1,-1.514794111251831
+O=C(c1ccncc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.880387544631958
+Cc1cc(C)cc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1,-0.9010222554206848
+Cc1cccc([C@@H]2C[NH+](C)C[C@H]2NC(=O)c2ccco2)c1,-1.2923716306686401
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1313016414642334
+Cc1cc(Br)ccc1OCc1nnnn1-c1ccc(F)cc1,-0.69972825050354
+Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0724239349365234
+COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nn1,-0.887279748916626
+O=C(C[NH+]1CCc2sccc2C1)NCc1ccc(Br)cc1,-1.091335415840149
+C[C@@H]1CCCCN1c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1,-1.0811784267425537
+CC1(C)CCCN(C(=O)NC2([NH+]3CCOCC3)CCC2)C1,-1.5364692211151123
+O=C(CC1CCCCC1)Nc1ccc(N2CCNC2=O)cc1,-1.5196386575698853
+O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1,-0.9562211632728577
+Cc1ccn2cc(C(=O)NCc3cccc(F)c3)[nH+]c2c1,-1.2899914979934692
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1914411783218384
+Cc1cccc(N2CCN(C(=O)c3ccnc4ccc(C)cc34)CC2)c1,-0.6726759672164917
+O=C(Nc1ccccc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O,-1.0817011594772339
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.4624040126800537
+Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-0.9600149393081665
+Cc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(F)c1,-0.9968172907829285
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0146632194519043
+O=C(C1CCOc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1,-0.9140808582305908
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060256958007812
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)ns1,-0.8549402356147766
+O=C(C[NH+]1CCOC[C@H]1C1CCCCC1)Nc1ccccc1F,-1.2707185745239258
+CC1(C)CCC[C@@H]1NC(=O)NCc1ccccn1,-1.6137362718582153
+CC(C)(C)[NH+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3c2)C1,-0.952878475189209
+CC(=O)c1ccc2ccccc2c1,-1.8165571689605713
+C[NH+]1CCN(c2ccc(NCc3ccc(Br)cc3)cc2)CC1,-1.2071865797042847
+Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1,-1.3769993782043457
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1,-1.2501810789108276
+Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)cn1,-1.0303655862808228
+O=C(NCCC(=O)N1CCCCC1)[C@H]1CCC(F)(F)C1,-1.4400278329849243
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8730002641677856
+Clc1ccc(-c2ccc(OCc3cccc(Cl)c3)cc2)cc1,-1.1493908166885376
+O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccccc2)CC1,-0.8879770040512085
+Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(F)c1,-1.0541837215423584
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Br,-0.9797207117080688
+Cc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1,-1.3894809484481812
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.153591275215149
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)no1,-1.1237791776657104
+Cc1csc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)c1,-1.0487045049667358
+O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(F)cc1Cl,-0.7354744672775269
+CN(CCC(=O)N1CCSC(C)(C)C1)Cc1ccccc1,-1.4369748830795288
+Fc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1874600648880005
+CC[NH+]1CCC(C(=O)N2CCC(c3cccc(O)c3)CC2)CC1,-1.100222110748291
+C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1,-1.159114122390747
+C[C@@H]1Cc2cc(C(=O)NCC[NH+]3CCCCC3)ccc2N1,-1.228598713874817
+O=C(Nc1ccc(C2CCCC2)cc1)N1CC[NH+]2CCC[C@@H]2C1,-1.0936392545700073
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(O)cc1F,-1.01828134059906
+Cc1ccc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)cn1,-0.8890381455421448
+C[NH+]1CCN(C2CC(NC(=O)c3ccc(F)cc3)C2)CC1,-1.1321890354156494
+Nc1ccc(F)cc1NC(=O)c1ccc(N2CCCCC2)cc1,-0.9704180359840393
+C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.186143398284912
+O=C1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.3584277629852295
+Cc1cc(C(=O)N2CCC3(CCN(c4ccc(F)cc4)C3)C2)co1,-1.1334348917007446
+CC1(C)CN(C(=O)NC(=O)C2(C)CCCCC2)CCO1,-1.6331992149353027
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)cn1,-1.0480316877365112
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2[nH]ncc2c1,-0.9017367362976074
+CC1(C)CC[C@H](C(=O)Nc2cc(-c3ccccc3)cs2)C1,-1.3588546514511108
+Fc1ccc(CN2CCC(Cc3ccccc3)CC2)c(F)c1,-1.3533512353897095
+Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1,-1.4086616039276123
+Cc1cnc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)s1,-0.6900154948234558
+O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-0.9176653623580933
+CCCCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1,-1.3494139909744263
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.0295381546020508
+C[NH+]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,-1.3169595003128052
+CC(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,-0.9094109535217285
+COc1cc(F)ccc1NC(=O)c1cc(Cl)c(Cl)cc1C,-0.5374716520309448
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9333931803703308
+O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1,-1.424453854560852
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8490679264068604
+CCOCCC(=O)Nc1cccc(C(N)=O)c1,-1.7302048206329346
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1O,-1.0619245767593384
+O=C(c1ccccc1)N1CCN(C(O)Cc2ccccc2)CC1,-1.4779735803604126
+O=C(NCc1ccc(Cl)cc1)C(=O)N1CCC[C@H](O)C1,-1.3724483251571655
+C[C@@]1(NC(=O)[C@H]2CCCO2)CCN(c2ccc(Cl)cc2)C1,-1.2945390939712524
+CC(C)(O)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1,-1.5955052375793457
+Brc1ccc(NCc2ccc(-c3ccc(Br)cc3)cc2)cc1,-1.04617440700531
+Cc1cc(C)cc(C(=O)NC2CC[NH+](C[C@H](C)O)CC2)c1,-1.459291934967041
+COc1ccc(C(=O)NCC(=O)N2CCCC2)cc1,-1.6023228168487549
+O=C(Cc1ccc(Br)cc1F)NCc1ccc(Cl)cc1F,-0.7645490169525146
+Cc1nc(NCc2ccccc2)cc(-c2ccc(Br)cc2)n1,-0.9027571082115173
+CC(C)C(=O)N1CCN(C(=O)CCOc2ccccc2)CC1,-1.481691837310791
+C[C@@H]1CCC[NH+](CC2CCN(C(=O)c3ccccc3F)CC2)C1,-1.0944572687149048
+O=S1(=O)CC[C@H](NCc2nc(-c3ccccc3)cs2)C1,-1.4077352285385132
+Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1,-0.9683932065963745
+O=C(Nc1ncccc1Cl)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.7649558782577515
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2O)CC1,-1.1056421995162964
+Cc1ccc(CNc2ncccc2-c2ccc(C)cc2)cc1,-1.1684941053390503
+CN1CC[NH+](Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C1,-1.2775342464447021
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2nc[nH]c2c1,-1.0589923858642578
+Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.186596393585205
+Cc1cc(NC(=O)N2CCC(c3ccc(C)o3)CC2)no1,-1.2643059492111206
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.10232412815094
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cn1,-1.1335340738296509
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.206592321395874
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1663296222686768
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0876059532165527
+CC(=O)Nc1ccc(NCc2ccccc2)cc1,-1.688893437385559
+O=C(Nc1ccn(-c2ccccc2)n1)c1cc2ccccc2s1,-1.0306066274642944
+Cc1ccc(C(=O)NCC(=O)N2CCC(O)CC2)cc1,-1.5117508172988892
+Cc1ncc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,-0.7118101119995117
+Cc1ccccc1NC(=O)c1ccccc1-c1ccc(Cl)cc1,-0.9818364977836609
+C[C@@H]1CCC[NH+](C2CCN(C(=O)NCCCC(=O)[O-])CC2)C1,-1.2492507696151733
+Cn1cc(C(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cn1,-0.9303768277168274
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)nc1,-1.495701789855957
+C[C@@H]1Cc2cc(CC(=O)NCc3ccccc3)ccc2O1,-1.5227760076522827
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2662702798843384
+COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1,-1.1169319152832031
+O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1,-1.250105619430542
+O=C1NCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,-0.9633979797363281
+O=C(CCCOc1ccc(F)cc1)Nc1ccc(Br)cc1,-1.5032804012298584
+O=C(NC[C@H](O)Cc1ccc(O)cc1)c1ccc(F)cc1,-1.500806212425232
+Cc1nn(C)cc1NC(=O)N1CCC(c2ccccc2Cl)CC1,-0.6641178131103516
+O=C(Nc1ccccc1Cl)N1CCO[C@H](c2ccc(Cl)cc2)C1,-0.9585445523262024
+COc1ccc(N2CCN(C(=O)CCc3ccco3)CC2)cc1,-1.4587949514389038
+O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2ccccc2)C1,-0.8305286765098572
+Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1,-1.0574809312820435
+O=C(Cn1nnc2ccccc21)NCc1ccc(F)cc1,-1.1220104694366455
+Fc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)cc1,-1.0769749879837036
+C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1F,-0.9188477396965027
+COC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1,-1.322464942932129
+O=C(CSc1nnc2n1CCCC2)Nc1ccc(O)cc1,-1.022511601448059
+Cc1nc(-c2ccc(C(=O)NCCC(C)(C)O)cc2)no1,-1.3830163478851318
+O=C(Nc1cc(F)ccc1F)c1ccc(N2CCCCC2)cc1,-0.8786590099334717
+O=C(Nc1ccc(S)cc1)OCc1ccccc1,-1.665213942527771
+Cc1ccc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc1,-1.2010875940322876
+Nc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)n1,-0.6274572610855103
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3828778266906738
+O=C(Cc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1,-1.5319219827651978
+Cc1nc(NCc2ccccc2)cc(-c2ccc(F)cc2)n1,-0.9898313283920288
+Cc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1,-1.0910652875900269
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6712689399719238
+CCNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1,-1.590112328529358
+Cc1ccc(CCCNC(=O)c2ccc(F)cc2O)cc1,-1.457764744758606
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3005989789962769
+O=C(c1cc(F)c(F)c(F)c1)N1CCN(c2cccc(O)c2)CC1,-0.5521180629730225
+O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1,-1.7266383171081543
+O=C(Cc1ccc(Cl)cc1)N1CCN(C2CCOc3ccccc32)CC1,-0.7968704104423523
+CCOc1ccc(C(=O)Nc2scnc2C)cc1,-1.4402319192886353
+O=C(CN1CCCC1=O)N[C@@H]1CCC[C@H](c2ccccc2)C1,-1.5214568376541138
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cc(-c2ccccc2)on1,-1.1272616386413574
+O=C1CCN(C(=O)NCc2ccccc2)[C@H]1C1CCCCC1,-1.3819642066955566
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,-1.042423963546753
+Cc1nc(NC(=O)c2ccccc2)nc(-c2ccccc2)c1C,-0.8359944224357605
+C[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CCCO1,-1.4338072538375854
+O=C(Nc1ccc(-c2ccc(F)cc2)cn1)c1ccccc1F,-0.9442982077598572
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.4692445993423462
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.210754632949829
+COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1,-1.0278345346450806
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-1.0836608409881592
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.441773772239685
+Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)c1,-1.2093557119369507
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9582536816596985
+Cn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1,-1.0388768911361694
+C[C@@H]1CN(Cc2ccccc2)CC[NH+]1Cc1ccc(Br)cc1,-1.261430025100708
+Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl,-1.265162706375122
+CC(=O)N1C[C@@H](C)O[C@H](C)C1,-1.8609133958816528
+COc1ccc(C(=O)NCc2nnc(C)s2)cc1,-1.249324917793274
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc(F)cn1,-1.1691112518310547
+O=C(N[C@]1(c2ccccc2)CCCC1=O)c1ccc(Br)cc1,-1.2186651229858398
+Cc1ccc(C(=O)Nc2cc(F)ccc2S(N)(=O)=O)cc1F,-0.8093835711479187
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.070007562637329
+Cc1cc(Cl)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-1.0679285526275635
+Cc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1C,-1.0377542972564697
+Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.305031657218933
+OC(COc1ccc(-c2ccc(F)c(F)c2)cc1)=NCC(F)(F)F,-0.7997117042541504
+CCc1ccc(C(=O)NCc2scnc2C)cc1,-1.2955766916275024
+O=C(Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2)CC1,-0.89548659324646
+C[C@H]1CC(=O)N(c2ccc(NC(=O)c3ccccc3)cc2)C1,-1.4555659294128418
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.654344916343689
+Cc1cc(C[NH+]2CCN(Cc3ccccc3)CC2)ccc1F,-1.3437845706939697
+C[NH+]1CCC(CNC(=O)N2CCOC3(CCCC3)C2)CC1,-1.558064341545105
+O=C(Nc1ccc(O)c(F)c1)C(=O)NC1CCCCC1,-1.2752755880355835
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(O)cc2)cc1,-1.5310009717941284
+O=C(Nc1cc(O)ccc1Cl)N1CCN(c2ccccc2)CC1,-1.0205227136611938
+Cc1nc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2o1,-1.0174181461334229
+O=C(Cc1ccc(Cl)cc1)NC1CC(c2ccccc2)C1,-1.3695898056030273
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1141672134399414
+C[C@H]1CN(c2ccc(F)cc2)CCN1C(=O)Nc1ccccc1,-1.0889718532562256
+C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.662959098815918
+c1ccc(-c2nnc(CN3CCC(c4ccccc4)CC3)o2)cc1,-1.3857386112213135
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3895878791809082
+CC1CCCC(NC(c2ccccc2)c2ccc(Br)cc2)C1,-1.25747549533844
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.380018949508667
+Cc1ccc(N)c(C(=O)N[C@H]2CCOC[C@H]2c2ccccc2)c1,-1.117658019065857
+C[C@@H]1CN(C(=O)NC2(c3ccccc3)CCCCC2)CCCO1,-1.5564461946487427
+O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4761810302734375
+CC1(C)CN(c2ccc(OCc3ccccc3)cc2)CCO1,-1.5651905536651611
+C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2)CC1,-1.0699231624603271
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.3749666213989258
+Cc1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0306739807128906
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1,-1.3021900653839111
+C[C@@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1,-1.579588770866394
+O=C(Nc1ccc(-c2ccccc2)cc1)C1CC(F)(F)C1,-1.2905300855636597
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(I)cc2)CC1,-0.9341949820518494
+Cc1ccc(-c2[nH]ccc2C(=O)N[C@H]2CC[NH+](C)C2)cc1,-1.2123572826385498
+O=C(c1ccc(F)cc1)N1CCC[C@@]2(CCCN(c3ccccc3)C2)C1,-1.0164968967437744
+O=CNCC1CCCCC1,-1.9837238788604736
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1,-1.2357629537582397
+Cc1cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(F)c2)n[nH]1,-0.9602173566818237
+C[NH+]1CCC[C@H]2CN(C(=O)NCc3ccc(F)cc3)C[C@@H]21,-1.0170331001281738
+Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1,-1.3513959646224976
+Cn1cc2c(n1)CCN(C(=O)NCc1ccc(F)cc1)C2,-0.9475569128990173
+CCC[NH+]1CCC[C@H](NC(=O)Nc2ccccc2F)C1,-1.5174473524093628
+CC(C)c1ccc(CNC(=O)[C@@H](O)C(F)(F)F)cc1,-1.2337396144866943
+Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3CCC[C@H]3C2)cc1,-1.3777321577072144
+Cc1ccc(CC(=O)NCc2ccc(C#N)cc2)cc1,-1.5697650909423828
+Oc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1F,-1.5214966535568237
+CC1(C)CN(c2ccc(CNc3ccccc3)cc2)CCO1,-1.5535147190093994
+Cc1nc2cc(C(=O)N3CC[C@H](C[NH+](C)C)C3)ccc2[nH]1,-0.8478377461433411
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.0694622993469238
+O=C(NCc1nc2ccccc2s1)c1ccc(I)c(O)c1,-0.8192390203475952
+O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2Cl)C1,-0.9061179161071777
+COc1ccc(-c2nc(O)ncc2C(=O)N2CCCCC2)cc1,-1.0029889345169067
+Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)on1,-1.222957968711853
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)no1,-1.0171102285385132
+C[C@H](c1ccc([NH3+])cc1)N1CCN(C(=O)c2ccccc2)CC1,-1.1483840942382812
+O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,-1.3112703561782837
+Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1,-1.3511897325515747
+C[C@H]1C[NH+](C)CCN1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1056907176971436
+Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1,-1.4307070970535278
+O=C(c1ccc(F)cc1F)N1CCC[C@@H](C[NH+]2CCCCC2)C1,-0.9144685864448547
+CC(C)(C)c1ccc(O)cc1C(=O)N1CC[C@H](C2CCOCC2)C1,-0.8969403505325317
+O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1,-1.1843461990356445
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)on1,-1.192940592765808
+C[C@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.2696887254714966
+C[C@@H]1CCCN(C(=O)NC2CCN(CC(F)(F)F)CC2)C1,-0.9743995070457458
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-1.0069645643234253
+O=C(N1CCN(c2ccccc2)CC1)C1(c2ccccc2)CC1,-1.321811556816101
+O=C(c1ncccc1O)N1CCC(Cc2ccc(Cl)cc2)CC1,-0.9360601902008057
+Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1,-1.1462085247039795
+Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1,-1.0064258575439453
+Nc1ccccc1NC(=O)c1cccc(F)c1,-1.5437732934951782
+Cc1cc(O)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1,-1.1418838500976562
+O=C(NCc1ccn[nH]1)Nc1ccc(Br)cc1F,-1.2609614133834839
+Fc1ccc(CN2CC[NH+](Cc3ccc(I)cc3)CC2)cc1,-1.3088161945343018
+CC1CCN(C(=O)C(=O)NCc2cccc(F)c2)CC1,-1.3116648197174072
+Cn1cc(C(=O)NC[C@H]2CCCCO2)c2cc(Cl)ccc21,-0.9820323586463928
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1097779273986816
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CCCCO1,-1.1460484266281128
+Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.105892300605774
+Cc1cnoc1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.1668325662612915
+Cc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(F)c1,-0.9544899463653564
+O=C(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1,-1.0785976648330688
+O=C(NC1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1O,-0.911561131477356
+O=C(c1ccccc1)N1CCC[C@H]1C(O)=NC(O)=NCc1ccccc1,-1.2160357236862183
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-0.989738941192627
+Cc1ccc(F)c(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c1,-1.047523856163025
+Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)on1,-1.0427722930908203
+CN1C[C@@H](NC(=O)N2CC[C@H]2c2ccccc2)CC1=O,-1.4343743324279785
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1,-1.1609994173049927
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nn1,-1.0416643619537354
+Cc1ccc(CC(=O)NCc2nc3ccccc3[nH]2)cc1,-1.2434321641921997
+O=C(c1ccc(Cl)cc1)N1CC[NH+](CC2CCCCCC2)CC1,-1.1718335151672363
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.8959057927131653
+Cc1cc(NC(=O)N2CCC[C@@H](CCC(F)(F)F)C2)on1,-1.0559290647506714
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2F)CC1,-0.9087300896644592
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9390762448310852
+CC(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,-1.1907589435577393
+Cc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccccn2)CC1,-0.9839593172073364
+Cc1ccc(C(=O)N2CCN(C(=O)c3ocnc3C)CC2)s1,-0.9427765011787415
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1,-1.1121762990951538
+C[C@@H]1CCCCCN1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-0.8390880823135376
+O=C(NCC(O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2794679403305054
+O=C(c1cccc(Br)c1)N1CCN(C(=O)c2cccs2)CC1,-0.9542690515518188
+Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1,-1.0000382661819458
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1,-1.1255601644515991
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9576683640480042
+CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)C1,-1.1516281366348267
+Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(C)c1,-1.25730562210083
+CCOc1ccc(NC(=O)c2ccn(C)n2)cc1,-1.6124142408370972
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.0400563478469849
+C[C@H]1C[C@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2F)C1,-0.8564324975013733
+O=C(CCc1ccc(F)cc1)NC[C@@H]1CCNC(=O)C1,-1.5155601501464844
+O=C(CN1CCCCC1C1=CCCC1)OCc1ccccc1,-1.540583610534668
+CCC[NH+]1CC(CNC(=O)c2ccc(Cl)cn2)C1,-1.391337275505066
+O=C(c1cc(F)c(F)cc1F)N1CCC(c2ccc(F)cc2)CC1,-0.32830706238746643
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(O)n1,-1.0853673219680786
+COc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.9934232234954834
+C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCc4ccccc43)cc2)CC1,-0.9169991612434387
+Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,-0.9924331903457642
+Fc1ccc(COc2ccc(-c3ccccc3)cc2)cc1F,-1.3795231580734253
+C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOC[C@@H]3C)cc2)C1,-1.333297848701477
+N[C@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1878330707550049
+O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(Br)cc1,-1.3250938653945923
+Cc1cc(F)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.0971264839172363
+O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cccs1,-0.9881749153137207
+Cc1ccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)cc1,-1.0204700231552124
+COc1ccc(CNC(=O)Cc2ccccc2N)cc1,-1.5596498250961304
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124979496002197
+O=C(c1cc(F)c(O)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,-0.39328107237815857
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,-1.1526883840560913
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9554083943367004
+CCOc1ccc(NC(=O)CCc2ccccc2)cc1,-1.6468178033828735
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1031743288040161
+O=C([C@H]1CC[C@@H](F)CC1)N1CCC[NH+](Cc2ccccc2)CC1,-1.2608758211135864
+O=C(Nc1cc(Cl)ccc1F)c1ccc(N2CCOCC2)cc1,-1.037408471107483
+O=C(N1CCC(c2ccccc2)CC1)N1CC[C@@]2(Cc3ccccc32)C1,-0.9985986948013306
+O=C(Nc1ccc(Br)cc1)C(=O)Oc1ccc(F)cc1,-1.379671573638916
+Cc1c(NC(=O)c2ccc(Br)cc2)ccc(S(C)(=O)=O)c1F,-0.6924161314964294
+Cc1nonc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1,-0.9558770060539246
+Cc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1,-1.1010420322418213
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617165327072144
+Cc1cc(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)no1,-0.9051181077957153
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1,-0.946976900100708
+C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-0.925910234451294
+Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1,-1.0673706531524658
+Cc1ccc(C(=O)NC[C@H]2CCOC3(CCCCC3)C2)[nH]1,-1.559462308883667
+Nc1cc(CN2CCCCC2)ccc1NCC1CC1,-1.4761676788330078
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.46517813205719
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cn1,-1.0048891305923462
+Cc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)c(Br)c1,-0.7205505967140198
+O=C([O-])C1CCN(C(=O)c2ccc(-c3nnco3)cc2)CC1,-1.0985344648361206
+O=C1Cc2cc(C(=O)NCc3ccccc3)ccc2N1,-1.456788420677185
+CN1CCCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1,-1.078956961631775
+Cc1cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2[nH]1,-1.0359337329864502
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3304842710494995
+C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1CC1CCOCC1,-1.2533406019210815
+Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cn1,-1.0707346200942993
+O=C(CC1CCCCC1)N[C@H]1CCN(c2ccccc2)C1=O,-1.4023312330245972
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cn1,-1.4811415672302246
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-0.9748661518096924
+Cc1ccc(-c2ccc(Cl)cc2)c(OCc2ccccc2)c1,-1.3757209777832031
+C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.665441632270813
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O,-1.1728160381317139
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.959452748298645
+CCOCCOc1ccccc1N1CCN(C)CC1,-1.617859125137329
+O=C(Nc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CC[NH2+]C[C@H]1O,-1.0925887823104858
+Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)no1,-1.4558334350585938
+Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)no1,-0.8795105218887329
+NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1,-1.2686612606048584
+Cc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2[nH]1,-0.8870794773101807
+O=C(Nc1ccc2ncoc2c1)c1csc(-c2ccccc2)n1,-1.082138180732727
+Cc1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1,-1.5933983325958252
+COc1ccc(C)cc1C(=O)N1CCC(c2ccccc2)CC1,-1.21255624294281
+O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.347292423248291
+Fc1ccc(C2CCCCC2NCc2ccc(Cl)cc2)cc1,-1.1108359098434448
+C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1548974514007568
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.1547846794128418
+O=C(N[C@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1F,-1.039115071296692
+O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(O)cc1O,-1.1122080087661743
+O=C(NCC1CCCC1)Nc1ccc(Br)cc1Br,-1.1085196733474731
+CC(C)(O)CC(=O)NCc1ccc(C2CC[NH2+]CC2)cc1,-1.6062248945236206
+O=C(N[C@H]1CCC[C@@H]1c1nccs1)c1cccc2cccnc12,-0.8009690642356873
+Cc1cc(CNC(=O)c2ccc3ncsc3c2)ccc1F,-0.8857480883598328
+O=C(Nc1ccc(Br)cc1)N1CCC(c2ccccc2Cl)CC1,-0.8156843781471252
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0429542064666748
+Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)c(F)c1,-1.2136279344558716
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1397653818130493
+Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)[nH]1,-1.1927604675292969
+Cc1cc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)no1,-0.8804707527160645
+CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1582762002944946
+CC1(C)CN(C(=O)C[NH2+]Cc2ccc(F)cc2Cl)CCO1,-1.2888834476470947
+C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)C1,-0.9801652431488037
+Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)no1,-0.8539761304855347
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617100358009338
+Cc1cnc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2n1,-0.3492948114871979
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2629064321517944
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1111048460006714
+CCCCNC(=O)c1ccc(Oc2ccccc2)cc1,-1.6648263931274414
+O=C(Cc1cn2ccccc2[nH+]1)NCc1ccc(Cl)cc1,-1.3444527387619019
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2ccccc2)C1,-0.9350227117538452
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCNC2=O)cc1,-1.1291841268539429
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2F)CC1,-1.014502763748169
+CC(C)C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccc(F)c(F)c2)CC1,-0.7599092721939087
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1,-1.0218201875686646
+Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,-1.3989900350570679
+CC(=O)N1CC[C@@H](C)C[C@H]1C(=O)Nc1cccc(Br)c1,-1.0082098245620728
+CN(C)c1ccc(CNCCc2ccccc2)cc1,-1.6271733045578003
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9764993190765381
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5011895895004272
+Cc1cc(Br)ccc1N1CCC[C@@H](NC(=O)c2ccccc2)C1,-0.9403738379478455
+C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.050086498260498
+CC(=O)N1CCN(C(=O)Nc2ccc(O)cc2)C[C@H]1C,-1.2622262239456177
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9662108421325684
+COc1ccc(NC(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1,-1.6223478317260742
+NCc1ccc(NC(=O)C2CCC3(CCCCC3)O2)cc1,-1.5595096349716187
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9547557830810547
+NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1,-1.3423303365707397
+O=C(Nc1cccc(O)c1)C1CCN(c2ccccc2F)CC1,-1.0852965116500854
+CCNC(=O)c1ccccc1,-1.9743777513504028
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1684993505477905
+CC(C)c1cccc(CNC(=O)N2CCCC2)c1,-1.6028666496276855
+Cn1nccc1C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1,-1.021685004234314
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1,-1.0112998485565186
+Cc1nnc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)s1,-0.8174809813499451
+O=C1NCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1,-0.9045529961585999
+O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1O,-0.9634309411048889
+Cc1nc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1,-0.9230392575263977
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1641348600387573
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508625745773315
+COc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1,-1.4498910903930664
+Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O,-1.5410594940185547
+CC(=O)COc1ccc(NC(=O)C(C)(C)C)cc1,-1.6311136484146118
+CC(O)(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,-1.203410267829895
+Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2c2ccccc2)c(N)c1,-1.1210752725601196
+COC(=O)c1ccc(NC(=O)C2CCCCC2)cc1,-1.594211459159851
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9196285605430603
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1F,-0.5301302075386047
+Cc1cc(C)c(-c2ccccc2)cc1NC(=O)c1ccccn1,-1.009928584098816
+CCCC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)CC1,-1.3272286653518677
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.147657871246338
+O=C(N[C@@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1)c1ccccc1O,-1.1028457880020142
+N#Cc1cccc(NC(=O)C2CCN(c3ccccc3)C2)c1,-1.3475381135940552
+Fc1ccc(CNc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.244982123374939
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9022589325904846
+Cc1cccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)c1,-1.0185573101043701
+C[NH+]1CC[C@@H](C(=O)Nc2cnn(-c3cccc(Br)c3)c2)C1,-1.033442497253418
+O=C1Cc2cc(C(=O)N3CCCC[C@H]3c3ccccc3F)ccc2N1,-0.6402075290679932
+Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1S,-1.3146655559539795
+[NH3+]c1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c(F)c1,-1.0765928030014038
+Cc1nc2cc(C(=O)NCc3cccc(Br)c3)ccc2[nH]1,-0.8567246794700623
+C[NH+]1CCC(NC(=O)[C@H]2CCC[NH+](C3CCCCCC3)C2)CC1,-1.221206784248352
+CC(C)Cc1ccc(C(=O)N[C@@H]2CCC3(CCCCC3)C2)cc1,-1.3788354396820068
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1,-1.1382930278778076
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8821538090705872
+Cc1cc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)no1,-0.8490857481956482
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1,-1.1067558526992798
+C[C@H]1CN(C(=O)c2ccccc2)CC[NH+]1[C@@H](C)c1ccccc1,-1.1440094709396362
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0900249481201172
+O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)s1,-0.8930007219314575
+CCOc1ccc(C(=O)Nc2coc(C)n2)cc1,-1.6177310943603516
+O=C(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,-1.3110251426696777
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3568928241729736
+CC(C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1,-1.3958895206451416
+C[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)n1cccc1,-1.481222152709961
+Cc1ccc2cc(C(=O)NCc3ccc(Br)s3)ccc2n1,-0.7635226845741272
+O=C(NCc1cccc(Cl)c1)N1CCC2(CCCC2)CC1,-1.4037556648254395
+Cc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0624654293060303
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,-1.2963193655014038
+O=C(Cn1ncnc1C1CCCC1)N[C@H]1CCC12CCCCC2,-1.0974597930908203
+CCN1CCN(C(=O)c2cc(-c3ccccc3)nc(C)n2)CC1,-0.8830146193504333
+O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccco2)on1,-1.117537498474121
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CC12CCCC2,-1.1559302806854248
+O=C(c1ccc(O)cc1F)N1CCN(Cc2ccccc2)CC1,-1.1459401845932007
+Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1,-1.3667778968811035
+CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5877052545547485
+C[NH+]1CCC(C)(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1,-1.3028212785720825
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[C@H](C)C3)CC2)o1,-1.3193436861038208
+O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1,-1.0331752300262451
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0041978359222412
+Nc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-0.9972398281097412
+Cc1cc(Br)ccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1,-0.9393346309661865
+Cc1nc(CC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc12,-0.605146586894989
+COc1cccc(CNC(=O)c2cc(Br)n[nH]2)c1,-1.5261067152023315
+Cc1ccc(C(=O)CNC(=O)c2ccc(F)cc2)cc1,-1.3680446147918701
+CCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CCCCCCC)cc1,-1.4647729396820068
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)nc1,-0.9856204390525818
+O=C(NC[C@H](O)Cc1cccc(Br)c1)c1ccc(F)cc1,-1.2745609283447266
+C[NH+]1CCC[C@H](C(=O)Nc2cc(N3CCOCC3)ccc2F)C1,-1.0499370098114014
+CCCN=C(O)Nc1ccc(NC(=O)C2CCOCC2)cc1,-1.5324928760528564
+Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccc(F)cc2)n1,-1.2230688333511353
+COc1cc(NC(=O)c2cc(Cl)c(F)cc2F)ccc1F,-0.5546696782112122
+CC1(c2ccccc2)CCN(CCNc2ccc(Cl)cc2)C1,-1.3976683616638184
+Cc1ccc(N2CC[C@H](NC(=O)c3ccc(C)o3)C2)cc1,-1.3059736490249634
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.2005678415298462
+Cc1nc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n[nH]1,-0.8551480770111084
+COc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1,-1.5176435708999634
+Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(F)c3)C2)co1,-1.2094663381576538
+C[NH+]1CCCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1,-1.4054813385009766
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874311089515686
+CC(C)N1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1,-0.8574767708778381
+C[C@@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.2700779438018799
+Cc1ccc(CN2CCN(Cc3ccccc3)C(C)C2)cc1,-1.4478060007095337
+CCOc1cc(C(=O)N2CCN(C)c3ccccc32)ccc1F,-0.7599491477012634
+CC[NH+]1CCC[C@H](NC(=O)NCC(C)(C)CO)C1,-1.6663553714752197
+CCCCNC(=O)N[C@H]1CCC[NH+](C(C)(C)C)C1,-1.613532543182373
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067132472991943
+Cc1ccc(-c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2)cc1,-1.1674647331237793
+CC(C)(O)C[NH+]1CCC(C)(NC(=O)C2CCCCC2)CC1,-1.5575860738754272
+Cc1ccc(F)c(NC(=O)[C@H]2CCC[C@H](c3ccccc3)C2)c1,-1.1148197650909424
+Oc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1,-1.4441723823547363
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.0218117237091064
+C[NH+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.993251383304596
+COc1ccc(-c2ccc(NC(=O)C(C)(C)N)cc2)cc1,-1.3299930095672607
+O=C(c1ccc(O)cc1)N1CCCC[C@H]1Cc1ccccc1Cl,-1.1052378416061401
+O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(Cl)c1,-1.3031032085418701
+C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)ccc2O1,-0.8709802627563477
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9851438999176025
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.084669828414917
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1Cc1ccccc1,-1.3450394868850708
+O=C(NCc1nccs1)[C@@H]1CCCC[NH+]1C1CC1,-1.3507922887802124
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.0145323276519775
+CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(NCC)cc1,-1.4936093091964722
+Cc1nn(C)c2cc(C(=O)NCc3ccccc3)ccc12,-1.008947730064392
+O=C(NC1CCCCCC1)N1CCC(c2ccc(O)cc2)CC1,-1.3052133321762085
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(O)c1,-1.200799822807312
+Cc1ccc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2n1,-0.4892538785934448
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1843739748001099
+O=C(Cc1ccccc1)NC[C@@H](O)Cc1ccc(Br)cc1,-1.4884037971496582
+Cc1nc(C)c(NC(=O)NCc2ccccc2)s1,-1.3535025119781494
+Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c(N)n1,-0.9220992922782898
+Fc1ccc(N2CCC(NCc3ccc(I)cc3)CC2)cc1,-1.0222934484481812
+Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1,-0.7454535365104675
+CC(C)(C)CNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1,-1.1756861209869385
+Cc1ccc(-n2ccc(NC(=O)c3cc(C)on3)n2)cc1,-1.1899282932281494
+O=C(Nc1ccc(F)cc1)C(=O)N1CCC(C2=CC=CC2)CC1,-1.240541696548462
+O=C(NCc1ccccc1)c1ccc2c(c1)CC(O)=N2,-1.3909884691238403
+O=C(CCN=C(O)Cc1ccccc1)NCc1ccccc1,-1.6019779443740845
+CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.2820686101913452
+Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.006171464920044
+Cc1ccc(C(=O)C(=O)NCc2ccc(Cl)cc2)cc1,-1.4852138757705688
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.3201653957366943
+C[C@H]1CCC[C@H](C(=O)Nc2ccccc2N2CCOC2=O)C1,-1.183896541595459
+CC1CC(C)CN(c2ccc(CNc3ccccc3)cc2)C1,-1.351224660873413
+N#Cc1ccc(NCCc2ccc(-c3ccccc3)cc2)cc1,-1.4663233757019043
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.038928508758545
+Cc1ccc(C2CCN(C(=O)N[C@H]3CCCC[C@H]3[NH3+])CC2)cc1,-1.0251048803329468
+O=C(Cc1ccc(F)cc1)N1CCN(c2cc(F)ccc2F)CC1,-0.7079480290412903
+Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](CCCC(C)C)CC1,-0.8928426504135132
+Nc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.0577800273895264
+O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1,-1.6402474641799927
+C[C@H]1CN(Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1,-1.364876627922058
+Nc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2)CC1,-1.0614399909973145
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2203377485275269
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0278738737106323
+Nc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1,-1.3290095329284668
+COc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1,-1.2627445459365845
+COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1,-1.110686182975769
+Nc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.15986967086792
+Cc1ccccc1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.1389775276184082
+COC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1,-1.6901687383651733
+O=C(NCc1ccccc1)Nc1ccc(I)cc1,-1.5251699686050415
+c1ccc(CN2CCC3CCN(Cc4ccccc4)CC3C2)cc1,-1.3423960208892822
+O=C(N[C@@H]1CCC[NH+](C2CCCCC2)C1)C1CC(F)(F)C1,-1.1758091449737549
+CCCCN=C(O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,-0.9780333042144775
+C[C@H]1Cc2cc(C(=O)NCCN3CCCCC3)ccc2O1,-1.3883543014526367
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.679832935333252
+C[NH+]1CCC[C@H](NC(=O)NCc2ccccc2)C1,-1.6714329719543457
+c1ccc(C[NH+]2CCC3(C2)C[NH+](CC2CCCCC2)C3)cc1,-1.5690709352493286
+Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1,-0.9124963879585266
+NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)o1,-1.6471449136734009
+Cc1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)c(Br)c1,-0.9991565942764282
+C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1,-1.294357419013977
+C[C@@](O)(CNC(=O)c1ccc(F)nc1)c1ccc(F)cc1,-1.1931653022766113
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)sc2c1,-1.1065279245376587
+C[C@@H]1[C@H](NC(=O)N2CCN(c3ccccc3)CC2)CCC[NH+]1C,-1.034166932106018
+O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Cl)c(F)c1,-0.9687553644180298
+Cc1ccc(-c2ccc(OCc3ccc(N)cc3)cc2)cc1,-1.513089895248413
+COCCc1ccc(C(=O)Nc2ccccc2N)cc1,-1.5514570474624634
+O=C(NCC[C@H]1CCCO1)c1ccc(F)cc1F,-1.4442578554153442
+O=C(NCc1ccc(I)cc1)c1ccc2nc(O)[nH]c2c1,-0.9014151096343994
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3152621984481812
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0752317905426025
+O=C(NCc1ccc(F)cc1)c1cc2ccc(Br)cc2o1,-1.1287823915481567
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0294971466064453
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cc1,-1.3796708583831787
+CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1,-1.5226976871490479
+CS(=O)(=O)c1ccc(CN2CCC(c3ccccc3)CC2)c(=N)[nH]1,-1.1935921907424927
+O=C(CCc1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1,-1.5403494834899902
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2o1,-1.2305302619934082
+COc1ccccc1N1CCN(C(=O)CC2CC[NH2+]CC2)CC1,-1.411047339439392
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1,-1.456122636795044
+CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,-1.063933253288269
+Fc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1F,-1.3274892568588257
+Cc1ccc(NCc2ccccc2-c2cccc(Cl)c2)cc1,-1.2898920774459839
+Cn1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9721203446388245
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.0680924654006958
+O=C(N[C@H]1CCCCC[C@@H]1c1ccccc1)c1ccc([O-])cc1,-1.2393118143081665
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1,-1.4162458181381226
+CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,-1.2039223909378052
+O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(-c2ccc(F)cc2)cc1,-1.085466742515564
+Cn1ccc(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)n1,-1.005163311958313
+O=C(N[C@H]1CCCC[C@H]1O)N1CCN(c2ccc(Cl)cc2)CC1,-1.0717284679412842
+Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)no1,-0.9835466742515564
+Cc1cccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.0877645015716553
+COc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1,-1.1894021034240723
+C[C@@H]1CN(c2ccccc2)CC[C@H]1NC(=O)c1ccc(F)cc1,-1.038456678390503
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccns2)CC1,-1.434807538986206
+CCCCOc1ccc(NC(=O)C2CCOCC2)cc1,-1.6810780763626099
+CCOc1cc(Br)ccc1NC(=O)c1ccoc1,-1.558588981628418
+CC(C)(CC(=O)NCc1ccccc1)c1ccc(O)cc1,-1.5631686449050903
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764224052429199
+Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1,-1.511576771736145
+CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1,-1.3295639753341675
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0273874998092651
+CC(C)(F)C(=O)N1CCC(NC(=O)C2CCCC2)CC1,-1.1993792057037354
+O=C(NC1CCCC1)C(=O)N1CCN(C2CCCCC2)CC1,-1.2707018852233887
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.613980770111084
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.5172364711761475
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0131030082702637
+O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](O)C2=O)cc1,-1.3183261156082153
+Cn1nc(-c2cccc(F)c2)cc1NC(=O)c1ccccc1F,-0.7377777695655823
+O=C(NC1CCCCCC1)N1CCN(c2ccc(O)cc2)CC1,-1.3366501331329346
+Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cccc2n1,-0.4934893250465393
+CN=C(O)c1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,-1.1288080215454102
+Oc1ccc(NC[C@@H]2CCCN(c3ccc(F)cc3)C2)cc1,-1.4310545921325684
+O=C(Cc1ccc2c(c1)OCCO2)NCC1CCCCC1,-1.5282690525054932
+Cc1ccc(C(=O)NCC(=O)c2ccccc2)cc1Cl,-1.2530691623687744
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc(O)c1O,-1.1460288763046265
+C[NH+](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1,-1.4611787796020508
+C[C@@H]1C[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCO1,-0.9530415534973145
+Fc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-1.0578694343566895
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1,-1.467109203338623
+O=C(N1CCC[C@@H]1c1ccccc1)C1(c2cccs2)CCCC1,-1.2357844114303589
+CCCC[C@H]1CCCN(C(=O)NC[C@@H]2CCCCO2)C1,-1.5927180051803589
+O=C(N[C@@H]1CC[C@H](F)C1)[C@@H]1CCN(c2ccc(F)cc2)C1,-1.022160291671753
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1O,-1.0817898511886597
+COc1ccc(C[NH+]2CCC([NH+]3CCC(C)(C)C3)CC2)cc1,-1.411290168762207
+O=C(c1ccc(Br)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9262561202049255
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.5084182024002075
+Cc1ccc(CNC(=O)CCN=C(O)CC2CC2)cc1,-1.591442584991455
+C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc(F)c2)CC1,-0.9249906539916992
+O=C(Nc1ccc(F)cc1F)[C@@H]1CCCC[NH+]1C1CCCCC1,-0.8497949242591858
+Cc1ccc(CNC(=O)Nc2ccccc2)cc1,-1.6861680746078491
+C[C@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.025049090385437
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9283081293106079
+Cc1ccc(O)c(C(=O)NC2CCN(c3ccccc3)CC2)c1,-1.1366350650787354
+Cc1ccccc1C[C@@]1(O)CC[NH+](Cc2ccc(F)cc2)C1,-1.4702091217041016
+C[C@H](Cc1ccccc1)N1CCN(C(=O)C2CCCCC2)CC1,-1.3317241668701172
+O=C(c1ccccc1F)N1CCC[C@@H](Cc2ccc(F)cc2)C1,-0.992600679397583
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.2369797229766846
+CC(C)(CC(=O)NCc1ccc(Br)cc1)c1ccccc1,-1.4528836011886597
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0866010189056396
+O=C(Nc1ccc(F)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.039078712463379
+CCCCC(=O)N1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1,-0.8069077134132385
+Cc1ccc(NCc2ccccc2)c(-c2ccc(Cl)cc2)n1,-1.0477744340896606
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0001031160354614
+Cc1ncccc1C(=O)Nc1ccc(N2CCCC2=O)cc1,-1.0617223978042603
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5010930299758911
+OC(COCc1ccco1)=Nc1ccc(-c2ccccc2)cc1,-1.5268590450286865
+C[C@@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(F)cc1,-1.3703199625015259
+Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.241878628730774
+CC1(C)CCC[C@@H]1NC(=O)NCC1CCCCC1,-1.621310830116272
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1Cl,-1.009461760520935
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.105347752571106
+CCc1ccc(CC(=O)N[C@H]2C[NH2+]C3(CCCC3)C2)cc1,-1.5354899168014526
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Cl,-1.0970754623413086
+O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,-1.0973737239837646
+Cc1ccc(NC(=O)N2CCC(c3ccccc3O)CC2)cc1,-1.1502958536148071
+CCC(C)(C)C(=O)NC[C@H]1CCO[C@H](c2ccccc2)C1,-1.5359697341918945
+Cc1cc(Cl)ccc1N1CCC(NC(=O)c2ccccn2)CC1,-0.8592798709869385
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.2201193571090698
+C[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3Cl)cc2)CC1,-1.0898663997650146
+O=C(c1ccc(F)cc1F)N1CCC[C@H](Cc2ccccc2)C1,-0.9778193831443787
+O=C(c1ccccc1Br)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9385516047477722
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4421583414077759
+C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1,-1.5243003368377686
+CCC(OC)C(=O)NCc1cccc(C(C)C)c1,-1.6536610126495361
+COc1ccc([C@H]2CCCN(C(=O)c3c(C)n[nH]c3C)C2)cc1,-0.7149935960769653
+O=C(N[C@H]1CCCC[C@H]1O)N1CCCC[C@H]1c1ccc(F)cc1,-1.1003538370132446
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,-1.2969001531600952
+CCOc1ccc(C[NH+]2CCOC3(CC[NH+](C)CC3)C2)cc1,-1.558295488357544
+Nc1ccc(CC(=O)NCc2ccccc2)cc1,-1.668829083442688
+O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](O)C1,-1.2834240198135376
+O=C(NCc1ccc(Br)cc1)c1cc2ccc(Cl)cc2o1,-0.9594675302505493
+CC(C)CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1,-1.4615002870559692
+Nc1ccc(CNC(=O)c2cc3ccc(F)cc3o2)cc1,-1.1302223205566406
+O=C(Nc1nc(-c2ccccn2)cs1)N1CCn2cc[nH+]c2C1,-0.8583701252937317
+[NH3+]c1cc(Cl)ccc1N1CCC(NC(=O)c2ccccc2)CC1,-0.9840399622917175
+Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1,-1.02730393409729
+C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1,-1.25014066696167
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2cccc(Cl)c2)cc1,-0.9541565775871277
+C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCCO2)C1,-1.6665455102920532
+O=C(Cc1ccc(F)cc1)NCc1cc2ccccc2s1,-1.2196719646453857
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-1.0573548078536987
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.1937611103057861
+Cc1ccc2[nH]cc(C(=O)NCc3ccc(F)cc3)c2c1,-1.072429895401001
+C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2011240720748901
+O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2=O)cc1,-1.084531545639038
+Cc1ccc(C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cn1,-1.3020919561386108
+CC(C)(CNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1,-1.2203998565673828
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)s3)CC2)o1,-1.1846939325332642
+Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.4669116735458374
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cn1,-1.0670753717422485
+C[S+]([O-])CCCC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5472863912582397
+O=C1Cc2cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2N1,-0.9018061757087708
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1915099620819092
+Cc1ccc(CNC2CCN(c3ccccc3)C(C)C2)cc1,-1.270188808441162
+Cc1cnc(NCc2ccc(O)cc2)c(-c2ccccc2)n1,-1.0812772512435913
+OC1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.3844647407531738
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839929819107056
+CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1,-1.1187297105789185
+C[C@@H]1CSCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0910145044326782
+Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccs2)cc1C,-1.1827205419540405
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.1040316820144653
+COc1ccccc1NC(=O)C(=O)N1CCc2ccccc21,-1.1578973531723022
+c1ccc(-c2ccccc2Oc2ccc(-c3nn[n-]n3)cn2)cc1,-1.0035903453826904
+Cn1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21,-1.020906925201416
+Cc1ccc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1,-1.1316742897033691
+CC1CCCCN1C(=O)CNC(=O)c1cccc(Cl)c1,-1.191491961479187
+O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2650388479232788
+CC(C)(C)C(=O)NCc1ccc(CC(F)(F)F)cc1,-1.3070175647735596
+C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0667132139205933
+Cc1cccc(CN2CCN(C(=O)C3CCOc4ccccc43)CC2)c1,-0.9337759017944336
+Cc1ccc(CNC(=O)N2CCOC3(CCCCC3)C2)o1,-1.5876611471176147
+Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1,-1.3939493894577026
+O=C(COc1ccccc1F)N1CCN(c2ccccc2)CC1,-1.3102153539657593
+CC(C)[C@H](C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1,-1.4997155666351318
+Nc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Br,-1.1216665506362915
+CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1,-1.1429108381271362
+Cc1ccc([C@H]2CCCN2C(=O)Nc2nnc(C)s2)cc1,-0.8339902758598328
+CC[C@H](C(=O)NCc1ccc(C)cc1)c1ccc(Cl)cc1,-1.3387280702590942
+Nc1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1,-1.5565201044082642
+O=C(CCCc1ccc(Br)cc1)NCc1ccc(Cl)cc1,-1.3263083696365356
+Cc1cc(C)c(-c2nc(COc3ccccc3)no2)cc1F,-1.059914469718933
+C[C@@H]1CN(c2ccc(F)cc2)CC[C@H]1NC(=O)c1ccccc1,-1.0401840209960938
+Fc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F,-1.207667589187622
+COc1ccc(CNCc2ccc(Br)cc2Cl)cc1,-1.311391830444336
+NC(=O)c1ccc(NCc2ccc3nc(O)[nH]c3c2)cc1,-1.1066462993621826
+Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1,-1.509528398513794
+COC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1,-1.6465544700622559
+O=C(N[C@@H]1CCCC[C@@H]1N1CCCC1=O)c1ccc(F)cc1,-0.9874854683876038
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,-1.070845127105713
+CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H](C3CCOCC3)C2)C1,-1.283393383026123
+CC(C)Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1,-1.6602965593338013
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1,-1.0112332105636597
+O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1,-0.8606359362602234
+COc1ccc(NC(=O)c2ccccc2S(N)(=O)=O)cc1,-1.433465600013733
+O=C(NCc1nc2ccc(Br)cc2[nH]1)c1cccc(F)c1,-0.7692325115203857
+C[C@H]1COCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2906324863433838
+Oc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.4495267868041992
+O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(c2ccccc2)C1,-0.8869866132736206
+c1ccc(C[NH+]2CCN(c3nccn3-c3ccccc3)CC2)cc1,-1.327154278755188
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9865716695785522
+c1ccc(CN2CCN3CCN(Cc4ccccc4)CC3C2)cc1,-1.3953827619552612
+O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8202778100967407
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2643541097640991
+O=C(CCC1CCOCC1)Nc1ccccc1,-1.75677490234375
+O=C(c1ccc(Cl)cc1Cl)N1CCC(Nc2ccccc2)CC1,-0.8610129952430725
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3555318117141724
+CC(C)(C)c1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1,-1.3420907258987427
+CC1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.3086163997650146
+C[NH+]1CC[C@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1,-0.8788685202598572
+O=C(Nc1ccc(-c2ccccc2)c(F)c1)c1ccc(Br)cc1,-0.9526597857475281
+CCc1sccc1C(=O)NCc1ccc(O)cc1,-1.5383292436599731
+CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)c2ccccc2)CC1,-1.2880891561508179
+O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]([NH+]2CCCCC2)C1,-0.8673287034034729
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9593611359596252
+O=C(NCc1ccc(F)cc1)NC1CCOCC1,-1.6518023014068604
+C[C@H](CC(=O)N[C@H]1CCCC[C@H]1c1ccccc1)[NH+]1CCCC1,-1.4891265630722046
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1839863061904907
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c1,-1.134639859199524
+O=C(Nc1ccc(F)cc1O)C1CCN(c2ccccc2)CC1,-1.186469554901123
+O=C(N[C@@H]1CCC(F)(F)C1)c1ccn(C2CCCCC2)n1,-1.0506985187530518
+Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.2808058261871338
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1,-1.0930031538009644
+O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1,-0.9649656414985657
+CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,-1.534124493598938
+CC(C)CNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1,-0.8276887536048889
+O=C(c1ccc(F)cc1Br)N1CCN(Cc2ccccc2)CC1,-0.9372004270553589
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1,-1.138009786605835
+Cn1cc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cn1,-1.0258510112762451
+O=C(c1ncccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.873159646987915
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(O)cc1F,-1.188021183013916
+Fc1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,-1.214350700378418
+Cc1ccccc1NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1,-0.9997549653053284
+COc1ccc(CNC(=O)[C@H]2CC[NH+](C)C2)cc1,-1.621429443359375
+O=C(Nc1ccc(O)cc1F)[C@H]1CCCN(c2ccccc2)C1,-1.1969722509384155
+Clc1ccc(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.1093802452087402
+Cc1ccccc1NC(=O)C[NH+]1CCC[C@@H]1c1ccc(F)cc1,-1.2414131164550781
+COc1ccc(NC(=O)N2CCO[C@@H](C3CCOCC3)C2)cc1,-1.4913228750228882
+C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9783296585083008
+C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1c1ccc(F)cc1,-1.0213557481765747
+COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.3681319952011108
+O=C(O)c1ccc(COCc2ccccc2)cc1,-1.6908128261566162
+Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.490388035774231
+Cc1sccc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1,-1.0474574565887451
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)N1CCCCC1,-0.8663769364356995
+Cc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)c(F)c1,-0.9469908475875854
+O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1cc2ccccc2s1,-1.0429563522338867
+Cn1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cn1,-1.0358041524887085
+O=C(Cc1ccc(O)cc1)NCc1coc2ccccc12,-1.4732218980789185
+Cc1cccc([C@@H]2OCC[C@H]2NC(=O)[C@H]2CCC2(C)C)c1,-1.2239326238632202
+C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCC2)CC1,-0.9680793881416321
+CC1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)C1,-1.3605308532714844
+C[C@@H]1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.3113139867782593
+O=C(N[C@@H]1CN(c2ccccc2)CC1=O)c1ccc(Cl)cc1,-1.125025749206543
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(Cl)c1,-0.9740756154060364
+O=C(C[NH+]1CCC(C2CCCCC2)CC1)Nc1ncccc1F,-1.0717259645462036
+O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)C1CC(F)(F)C1,-1.1784923076629639
+Nc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0000041723251343
+CS(=O)(=O)C1=CC=C(NC(=O)CCc2cccc(F)c2)CC1,-1.480209231376648
+O=C(Nc1ccccc1Cl)N1CCO[C@H](c2ccc(F)cc2)C1,-1.0250869989395142
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)no1,-1.0864166021347046
+Cc1ccc(N2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)cc1,-0.6927727460861206
+Cc1cc(N)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0812957286834717
+COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1,-0.922870934009552
+Cc1ccc(CC(=O)NCCc2ccc(O)cc2)c(Cl)c1,-1.2760404348373413
+Nc1cc(Cl)ccc1N1CCN(C(=O)Nc2ccccc2)CC1,-0.9554966688156128
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)n1,-1.0076167583465576
+Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)no1,-0.8860158324241638
+O=C(Nc1ccccc1F)N1CCN(c2cccc(F)c2)CC1,-1.0875847339630127
+CC(Cc1c(F)cccc1F)NC(=O)c1ccc(Cl)cc1,-0.8326756954193115
+Cc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1,-1.2392823696136475
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,-1.0351852178573608
+Fc1ccc(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2906475067138672
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cn2)CC1,-0.8719049692153931
+CC(=O)Oc1ccc(COc2ccccc2)cc1,-1.7081013917922974
+O=C(NC1CCC(N2CCCC2=O)CC1)c1ccc(F)cc1,-1.1433343887329102
+Cc1ccc(CNC(=O)c2ccc3oc(C)nc3c2)cc1,-1.1602340936660767
+O=C1N(Cc2ccccc2)CCC1(O)Cc1ccccc1,-1.5937811136245728
+O=C(N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-1.013702630996704
+Cc1ccc(C(=O)Nc2ccnc(N3CCCCC3)c2)c(C)c1,-1.0120959281921387
+O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1,-1.1902740001678467
+CC(C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1,-1.4061907529830933
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCC1,-1.0420880317687988
+Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)o1,-1.1029304265975952
+Cc1cc2cc(C(=O)NCc3ccc(Br)cc3)ccc2o1,-1.0841988325119019
+Cc1ccc2cc(C(=O)NCc3ccc(F)cc3)sc2c1,-1.1044375896453857
+O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1,-1.5815811157226562
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9462147355079651
+O=C(NC[C@H]1CCCCS1)Nc1ccc(Cl)cn1,-1.3522694110870361
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2n[nH]c(C)n2)cc1,-0.9047431349754333
+O=C(c1cccc2cc(F)ccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5521045923233032
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1,-0.8563658595085144
+O=C(c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1,-1.116736888885498
+CC(C)C(N)C(=O)c1ccc(OCc2ccccc2)cc1,-1.4502071142196655
+Oc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2683820724487305
+Cc1ccc(NCC2(c3ccccc3)CCCCC2)cc1O,-1.5018491744995117
+O=C(NCc1ccc2c(c1)OCCO2)C1CCC(O)CC1,-1.3832497596740723
+Cn1cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cn1,-1.3072956800460815
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1,-1.1452256441116333
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.195492148399353
+Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cc1,-1.5312738418579102
+O=C(Nc1ccc(OCCCF)cc1)c1ccccc1,-1.6167224645614624
+Cc1ccc(CNC2CCN(c3ccc(C)cc3)CC2)cc1,-1.3003190755844116
+CCc1cccc(NC(=O)C[NH+]2CCOC3(CCOCC3)C2)c1,-1.5521597862243652
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1602880954742432
+Cc1nc2ccc(C(=O)NCc3ccc(Br)cc3)cc2[nH]1,-0.8200605511665344
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0593596696853638
+CC1(NC(=O)c2cc(Cl)n[nH]2)CC[NH+](CC(F)(F)F)CC1,-0.7937761545181274
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1,-1.151735544204712
+Cc1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)no1,-1.4553688764572144
+Cc1ccc(C(=O)N[C@@H]2CC[C@](O)(c3ccccc3)C2)s1,-1.5352379083633423
+CC(Cc1ccccc1)N=C(O)COC(=O)c1ccccc1,-1.5633519887924194
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1,-1.1192359924316406
+C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1,-1.2099790573120117
+Cc1ccc(NC(=O)c2ccccc2F)cc1,-1.6098414659500122
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-0.9820364117622375
+O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC(O)CC1,-1.405179738998413
+COc1ccc(CC(=O)Nc2cc(C)c(Br)cc2C)cc1,-0.9923827648162842
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.0791869163513184
+O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1Cl,-0.7996122241020203
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(O)c1,-1.1467561721801758
+O=C(Nc1ccc(O)cc1)c1ccc(N2CCCC2=O)cc1,-1.4129551649093628
+O=C(NCc1ccc(Cl)cc1)c1cc2ccc(Cl)cc2s1,-0.7962518334388733
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(Br)c2)cn1,-0.9512933492660522
+CC1(C)CCCCC1NC(=O)c1ccc(C(=O)O)cc1,-1.361076831817627
+COC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1,-1.0261502265930176
+O=C(N[C@@H]1CC12CCC2)c1nc[nH]c1-c1ccc(Cl)cc1,-1.04232919216156
+O=C(Cc1nc2ccccc2o1)NCc1ccc(Br)cc1,-1.2120816707611084
+O=C(N[C@H]1CCC12CCCCC2)c1ccc(-c2nn[n-]n2)cc1,-0.961392879486084
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9509645104408264
+Cc1ccc(C(=O)NC2CC(c3ccc(Cl)cc3)C2)nn1,-0.8755678534507751
+O=C(NC[C@@H](O)C1CCOCC1)N1CCCC[C@H]1C1CCCC1,-1.3808977603912354
+Nc1ccc(F)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1,-1.2833126783370972
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,-0.926067054271698
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2s1,-0.8625543713569641
+Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(F)c1,-0.9754371643066406
+Cc1cccc(OCC(=O)Nc2noc3ccccc23)c1,-1.431354284286499
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1F,-0.9951675534248352
+Clc1cnc(-c2ccc(Br)cc2)c(NCc2ccccc2)n1,-0.7323413491249084
+Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F,-1.083119511604309
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.3008265495300293
+CC(C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,-1.2849268913269043
+CN1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3)c2)C1=O,-1.2183674573898315
+Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1,-1.4189890623092651
+O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)cc1,-1.0678249597549438
+C[NH+]1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.3941755294799805
+O=C(N[C@H]1CCCN(c2ccc(Br)cn2)C1)c1ccccc1F,-0.8656545877456665
+O=C(NCc1ccc2c(c1)OCCO2)[C@H]1CCC[C@H](F)C1,-1.2252230644226074
+C[C@H]1CN(c2ccccc2OCc2ccccc2)C[C@H](C)O1,-1.503700613975525
+O=C(Nc1ccc(Br)cc1)OCC1CCCCC1,-1.5742082595825195
+C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.933807373046875
+Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)n(C)n1,-0.8956161141395569
+O=Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1,-1.3885047435760498
+C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4941233396530151
+O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](Oc2ccccc2)C1,-1.2702969312667847
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2,-1.0967717170715332
+COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](F)C3)CC2)cc1,-1.0057631731033325
+COc1ccc(CNC(=O)CCc2ccccc2)cc1,-1.6435754299163818
+Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0019934177398682
+Nc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,-1.3308649063110352
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.2239824533462524
+CC[NH+]1CCN(C(=O)NCCc2ccccc2Cl)CC1,-1.4538558721542358
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.1496093273162842
+O=C(c1cccc(O)c1)N1CCN(Cc2ccccc2F)CC1,-1.133378267288208
+Cc1nc(O)nc(-c2ccccc2)c1NCC1CCCCC1,-1.0170574188232422
+Nc1ccc(C(=O)NC2CC[NH+](CC(F)(F)F)CC2)cc1,-1.0920237302780151
+Cc1ccc(COc2ccc(-c3ccccc3)c(O)c2)cc1,-1.4126837253570557
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9620645642280579
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(O)c1,-1.2064095735549927
+O=C1CCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,-0.6464995741844177
+Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1,-1.1427891254425049
+CC1CC=C(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1,-0.9605187177658081
+O=C(CN1C(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1,-1.0635507106781006
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8868377804756165
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccncc1F,-0.8592254519462585
+C[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.165021300315857
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.2091244459152222
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2844325304031372
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1,-1.0877232551574707
+C[NH+]1CC[C@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1,-0.8903936743736267
+O=C(OCc1ccccc1)SCc1ccccc1,-1.710211992263794
+O=C(Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1=O,-1.4854068756103516
+O=C(CCc1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1,-1.5198322534561157
+Cc1ccc(NC(=O)C2CCN(c3ccccc3)CC2)c(C)c1,-1.2206064462661743
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.406825304031372
+Cc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)cc2F)cc1,-1.0663748979568481
+O=C(c1ncccc1I)N1CCC(Oc2ccc(Cl)cc2)CC1,-0.7961052060127258
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2sccc2C1,-0.7752768993377686
+Cc1ccc2cc(C(=O)NCc3cccc(Cl)c3)oc2c1,-1.2328389883041382
+COc1ccc(-c2nc(-c3nc(-c4ccccc4)no3)cs2)cc1,-0.8830446600914001
+Cc1cc(NCc2ccc(-c3ccccc3)cc2)ccc1O,-1.3598859310150146
+CC(=O)NCC1CCN(Cc2ccccc2)CC1,-1.6764841079711914
+O=C(NCc1cc(F)c(F)cc1F)c1ccc(O)cc1F,-0.6120896935462952
+Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1,-0.7354664206504822
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9463902711868286
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.113338589668274
+Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)nn1,-1.1200439929962158
+CC1CN(C(=O)Nc2ccc(C(=O)O)cc2)CC(C)O1,-1.4895920753479004
+CCOc1ccc(C(=O)N2CCC[C@@H](C3CCOCC3)C2)cc1,-1.3437185287475586
+O=S1(=O)CC[NH+](Cc2ccc(C[NH+]3CCCC3)cc2)C1,-1.6297627687454224
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1,-1.1060185432434082
+c1ccc(-c2nonc2C[NH+]2CCN(c3ccccc3)CC2)cc1,-1.348327398300171
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)o1,-1.0900133848190308
+CC(C)[NH+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1,-1.07962965965271
+O=C(c1ccc(I)cc1)N1CCN(C(=O)c2cccs2)CC1,-0.9256048202514648
+O=C(c1ccc(Cl)cc1)N1CCC(Nc2ccccc2Cl)CC1,-0.8329859972000122
+Nc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.004958987236023
+O=C(Nc1cc(Cl)ccc1[O-])c1cccc(C2CCCCC2)c1,-0.9602033495903015
+Cc1cc(C)cc([C@H](O)CNC(=O)N2CCC[C@H](C)C2)c1,-1.2181349992752075
+O=C(Nc1ccccn1)[C@H]1CCN(c2ccc(F)cc2)C1=O,-1.0296074151992798
+COc1ccc(CNC(=O)N2CCCCCCC2)cc1,-1.6153066158294678
+Cc1nccnc1NC(=O)c1ccc(N2CCC[C@H](C)C2)cc1,-0.8620790839195251
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1310995817184448
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0659605264663696
+O=C(N[C@@H]1CCC[NH+](C2CCCCC2)C1)c1ccc(Cl)cc1O,-1.0137015581130981
+O[C@]1(c2ccccc2)CC[NH+](CCOc2ccc(F)cc2)C1,-1.5515552759170532
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1Cl,-0.9689329862594604
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0229086875915527
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2F)CC1,-0.8733898401260376
+Cc1ccc(C2CC(NC(=O)c3ccc(Cl)nc3)C2)cc1,-1.0786831378936768
+Cc1cc(NCc2ccccc2F)nn1-c1ccc(Cl)cc1,-0.9155236482620239
+O=C(Nc1ccccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.896085262298584
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.0121983289718628
+O=C(Nc1ccccc1)N1CCN(c2ccc(O)cc2Cl)CC1,-1.0463072061538696
+Cc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2102771997451782
+O=C(N[C@H]1CC[C@H](F)C1)c1cn[nH]c1-c1cccc(Cl)c1,-0.946165919303894
+Cc1ccc(NC(=O)C2CCN(c3ccccc3Br)CC2)cc1,-1.048609733581543
+CCOC(=O)c1ccc(CN2CC[C@H](N)C2)cc1,-1.6185150146484375
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1606694459915161
+O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1,-0.8964396119117737
+CCOc1ccc(NC(=O)c2cc(C)[nH]n2)cc1,-1.601636290550232
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F,-1.117248296737671
+C#CCC(=O)NCCCNC(=O)c1cccn1C,-1.6588133573532104
+O=C(Cc1cc(F)c(Br)cc1F)NCc1ccc(Cl)cc1,-0.6700339317321777
+Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3O)CCO2)cc1,-1.426113247871399
+O=C(N[C@@H]1CC12CCC2)N1CCN(c2ccccc2)CC1,-1.424531102180481
+Cc1nnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)o1,-0.8963936567306519
+NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1,-1.1967953443527222
+O=C(CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1,-1.4395196437835693
+O=C(c1ccccc1)N1CCCN(Cc2ccc(O)cc2)CC1,-1.5152124166488647
+Cc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3)C2)cc1,-1.171960711479187
+CC(Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.436143159866333
+O=C(N[C@H]1CCCO[C@@H]1c1cccc(F)c1)c1ccccc1F,-1.1481705904006958
+O=C(N[C@H]1CCO[C@H](c2ccccc2Cl)C1)c1ccc(F)cc1,-1.0043128728866577
+COC(=O)c1cccc(NC(=O)c2ccccc2)c1,-1.6007213592529297
+O=C(NCc1ccc(F)c(Cl)c1)[C@H]1C[C@@H]1C1CCOCC1,-0.9674448370933533
+COc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1,-1.1650978326797485
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)OCCO2,-1.4262477159500122
+O=C(Cn1cccn1)N1CCN(C(=O)c2ccccc2)CC1,-1.4185805320739746
+Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.280333399772644
+Cn1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.0607521533966064
+O=C([O-])[C@@H]1CCCC[C@H]1C[NH2+]CC1CCOCC1,-1.6356467008590698
+O=C(c1ccc(Br)cc1)N1CCN(CCc2ccccc2)CC1,-1.248397946357727
+Cc1nc2c(s1)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C2,-0.6954517960548401
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)cn1,-1.0904455184936523
+O=C(NC1CCN(c2ccccc2Cl)CC1)c1ccc(F)cn1,-0.7992433309555054
+[NH3+]CC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCCCC1,-1.1377367973327637
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1225401163101196
+C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(F)cc1,-1.4076775312423706
+O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1,-0.979398787021637
+Clc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2436522245407104
+C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cn1,-0.9271203279495239
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8418387770652771
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0764566659927368
+Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.1501985788345337
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,-1.1766520738601685
+COc1ccc(CNC(=O)c2ccc(C)[nH]2)cc1,-1.6244239807128906
+C[C@@H]1Cc2cc(C(=O)NCCC3CCOCC3)ccc2O1,-1.4402905702590942
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1O,-0.6494969129562378
+Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1F,-1.155921220779419
+c1ccc(CN2CCCc3ccccc32)cc1,-1.6438724994659424
+CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H]([NH3+])C2)cc1,-1.3458011150360107
+C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1c1ccccc1,-1.1719039678573608
+O=C(Nc1ccccc1)c1cc2ccccc2[nH]1,-1.6147857904434204
+O=C(Nc1ccc(Cl)cc1O)c1ccc(N2CCCCC2)cc1,-1.0114431381225586
+C[C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C1,-1.1439584493637085
+Cc1cccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c1,-1.4648897647857666
+O=C(COc1ccc(F)cc1)OC[C@H]1CCCO1,-1.691347360610962
+COc1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1,-1.5196356773376465
+O=C(NCc1cc(Cl)ccc1F)[C@@H]1CCS(=O)(=O)C1,-1.1913610696792603
+Cc1nc(C)c(C(=O)N2CCC(Cc3ccccc3F)CC2)s1,-0.5688473582267761
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1849113702774048
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,-0.9045226573944092
+C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1,-1.2425631284713745
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,-1.0464845895767212
+Cc1cc(O)ccc1C(=O)N1CCN(Cc2ccccc2)CC1,-1.2100317478179932
+Cc1ccc(C(=O)NC[C@@H]2CCOC3(CCCC3)C2)cc1,-1.5623517036437988
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.8517546057701111
+Cc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)nn1,-0.8905131816864014
+CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1,-1.3127516508102417
+O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1,-1.726531982421875
+Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(N)c1,-1.0091328620910645
+C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1,-0.9588987231254578
+Cn1cc(CC(=O)Nc2ccn(-c3ccccc3)n2)cn1,-1.4180572032928467
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH+]1Cc1ccccc1,-1.2856615781784058
+Clc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1Cl,-0.9597481489181519
+C[C@H]1CCCC[C@H]1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-0.9522676467895508
+O=C(CSc1ccc(Br)cc1)Nc1ccc2c(c1)CCO2,-1.1497254371643066
+O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.4231830835342407
+c1csc(CNCc2csc(C3CCCCC3)n2)c1,-1.4364752769470215
+O=C(Nc1ccc(-n2cccn2)cc1)c1cc2ccccc2[nH]1,-1.1340301036834717
+c1ccc(C[NH+]2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1,-1.0786278247833252
+O=C(c1ccccc1O)N1CCN(Cc2ccc(F)cc2)CC1,-1.134963035583496
+CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)nc1,-1.2082526683807373
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2323193550109863
+COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.395965337753296
+O=C(N[C@H]1CCCN(c2ccc(Cl)cc2)C1)c1cccnc1Cl,-0.8102861046791077
+COc1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)C2)cc1,-1.1779474020004272
+CC1(C)CN(CC2CCCCC2)CC[NH+]1Cc1ccccc1,-1.5564205646514893
+C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@H]3O)cc2)CC1,-1.143152117729187
+Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)c(N)c1,-1.201446294784546
+COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0581032037734985
+Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3o2)cc1,-1.0853748321533203
+CCNc1ccc(NC(=O)c2ccc(C)s2)cc1,-1.5572608709335327
+O=C(Nc1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1,-0.8611034750938416
+CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.5487022399902344
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.498032808303833
+CCc1cc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)no1,-0.8147559762001038
+O=C(N[C@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1Cl,-0.981171190738678
+Cc1cccc(COCc2ccccc2)c1S(C)(=O)=O,-1.5480843782424927
+CS(=O)(=O)c1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1,-1.129970669746399
+CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(C)C)[nH]n1,-1.1520732641220093
+Cc1cccnc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1,-0.8495832085609436
+C[C@@H]1C[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1,-1.4950509071350098
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0334818363189697
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2983791828155518
+Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1,-1.0082154273986816
+Cc1ccc2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2n1,-0.6370904445648193
+Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C2)cc1,-1.2485941648483276
+C[NH+]1CCC(CNC(=O)c2cc3ccc(F)cc3[nH]2)CC1,-0.9702884554862976
+O=C(c1ccc(Br)cc1)N1CCN(C(=O)C2Cc3ccccc32)CC1,-0.6635596752166748
+N[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1882380247116089
+Cc1ccc(C(=O)Nc2ccc(N3CCOC3=O)cc2)cc1,-1.4772944450378418
+COc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1,-1.1639927625656128
+O=C(NC1CCCCCC1)C1CCN(c2ccc(Cl)cc2)CC1,-1.079322338104248
+CC(C)(CN)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,-1.1644362211227417
+CCNC(=O)c1ccc(C)cc1S(=O)(=O)c1ccccc1,-1.3293190002441406
+O=C(NCc1ccc(P)cc1)c1ccc2c(c1)CCCN2,-1.1240266561508179
+C[C@@H]1CN(C(=O)Nc2ccccc2)CCC[NH+]1C(C)(C)C,-1.293503761291504
+O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2ccccc2)cc1,-0.9675359725952148
+Cc1ccc(NC(=O)N2CCN(CC([NH3+])=O)CC2)cc1,-1.5440555810928345
+Cc1cc(O)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1,-1.0380427837371826
+Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3F)cn2)cc1,-0.9111202955245972
+Cc1cccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1,-1.3703316450119019
+Cc1ccc(-c2ccc(NCc3ccc(Br)cc3)nn2)cc1,-0.9596874713897705
+Cc1sccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.0440027713775635
+O=C(Nc1nc2ccccc2[nH]1)c1cccc(-c2cccs2)c1,-0.9611172676086426
+C[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1,-1.0781021118164062
+O=C(c1ccc2ncc(F)nc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.3213789165019989
+Cc1nnc(NC(=O)[C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1,-0.7646448612213135
+O=C(CNC(=O)c1ccc(Cl)cc1)c1cccc(F)c1,-1.2273491621017456
+Fc1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.1664289236068726
+CC(C)CNC(=O)N1CCN(c2ccc3ccccc3n2)CC1,-0.9931252598762512
+Cc1ccc(F)c(NCc2nnc(-c3ccc(N)cc3)o2)c1,-0.928171694278717
+O=C(Nc1cc(F)ccc1Br)c1ccc(-c2ccccc2)cc1,-0.9357392191886902
+CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1,-1.3331681489944458
+Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)C2)cc1,-1.5428316593170166
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.8597406148910522
+CCc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1,-1.5164766311645508
+Cc1ccc(CN2CCN(C(=O)C3CCN(C)CC3)CC2)cc1,-1.2469334602355957
+Cc1cccc(N2CCC(NC(=O)c3ccccc3F)CC2)c1,-1.0460635423660278
+Cc1cc(C[NH+]2CCC(CN3CCOCC3)CC2)ccc1Cl,-1.2222262620925903
+CCNc1ccc(C(=O)Nc2ccn(C)n2)cc1,-1.5846209526062012
+O=C(NC[C@H]1CCCCO1)Nc1ccc(Br)nc1,-1.5399832725524902
+[NH3+][C@@H]1CC[C@@H](NC(=O)c2ccnn2-c2ccc(Cl)cc2)C1,-1.0538663864135742
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.1895719766616821
+O=CN1CCN(c2ccccc2)CC1,-1.8030177354812622
+C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1,-1.4558155536651611
+Cc1ncccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-0.9475796818733215
+CC(=O)N1CCN(C(=O)COc2cccc(Cl)c2)CC1,-1.5015753507614136
+O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCCCCCC1,-1.3091988563537598
+O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2s1,-0.8611758947372437
+C[C@@H]1CN(Cc2nc(Cc3ccccc3)no2)CC[S+]1[O-],-1.2624062299728394
+O=C(Nc1ccc(C2CCCC2)cc1)c1cc2ccccc2s1,-1.0316976308822632
+Nc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0096046924591064
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)n1,-1.0615906715393066
+C=C[C@H]1C[NH+](C[C@H]2CC(=O)N(C)C2)CC[C@@H]1c1ccc(F)cc1,-1.0149036645889282
+C[NH+]1CCN(CCNC(=O)CCc2ccc(Br)cc2)CC1,-1.4331663846969604
+Cc1ccc(F)cc1NC(=O)c1cn(-c2ccccc2)nc1C,-0.772498369216919
+Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)no1,-1.0802044868469238
+O=C(NCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2[nH]1,-0.8727661967277527
+O=C1CCCN1CC1CCN(C(=O)c2ccc(F)cc2)CC1,-1.0743122100830078
+O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1Cl,-1.0058293342590332
+NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1146738529205322
+O=C(NC1CCN(c2ccccc2)CC1)[C@H]1CC12CCCCC2,-1.2811000347137451
+CC1(C)CCC([C@H]2CCCCN2C(=O)NC(C)(C)C)CC1,-1.115016222000122
+Cc1ccc(N2CCC(C(=O)NCC(C)(C)C)CC2)nc1,-1.1648708581924438
+Cc1ccc(NC(=O)C(=O)Nc2ccn(C)n2)c(Cl)c1,-1.053687572479248
+COc1ccc(N)c(C(=O)NCc2ccccc2F)c1,-1.2081289291381836
+Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1,-1.4651234149932861
+O=[N+]([O-])c1ccc(-c2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1,-0.9103714823722839
+O=C(CN1CCc2cccc(Cl)c21)NCc1ccccc1,-1.1915502548217773
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.2006993293762207
+O=C([O-])[C@H]1CCN(C(=O)N2CCC[C@@H](c3ccccc3)C2)C1,-1.188126564025879
+O=C(NCC1CC2(CCC2)C1)c1ccc(Br)c(F)c1,-1.0448905229568481
+O=C(c1ccc(F)cn1)N1CC[NH+](Cc2ccccc2F)CC1,-0.9169781804084778
+C[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1N1CCOCC1,-1.098596215248108
+O=C(c1ccc2ccc(F)cc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5830689668655396
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Cl)cc1,-1.57954740524292
+COc1ccc(CNCc2cccc(C)c2C)cc1,-1.4737272262573242
+O=C(NCc1nc(-c2ccccc2)no1)C1CC1,-1.574065923690796
+C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1,-1.094691514968872
+O=C(NC1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1,-0.9126670956611633
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2265444993972778
+Cc1cc(N[C@@H]2CCC[NH+](Cc3ccccc3)C2)nc(C)n1,-1.1117970943450928
+Clc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.1383135318756104
+O=C(Nc1ccc(C2CCCC2)cc1)N1CC[NH+]2CCC[C@H]2C1,-1.1017779111862183
+Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1,-1.525890588760376
+O=C(c1ccc(O)cc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1,-1.481321930885315
+CC(C)CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,-1.5429457426071167
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)nc1,-0.9993115067481995
+C[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.8878265023231506
+Cc1ccc(O[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc1,-1.2682420015335083
+Cc1nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)sc1C,-0.6102921366691589
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0297267436981201
+Cc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.1268060207366943
+Brc1ccc(CNc2ccc(Br)cc2-c2ccccc2)cc1,-0.9875839948654175
+O=C(NCC1CCCC1)[C@@H]1COCC[NH+]1C1CC1,-1.600455641746521
+c1ccc(Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1,-1.2178382873535156
+COc1ccc(C(=O)N2CCN(c3cccc(C)n3)CC2)cc1,-1.0356730222702026
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9139057993888855
+CC1CCCCN1c1ccc(OCc2ccc(C#N)cc2)cc1,-1.1714965105056763
+O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CC12CCOCC2,-1.393715262413025
+[NH3+]CCC1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1,-0.8672357201576233
+O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1,-1.259183645248413
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9595043659210205
+O=C(Nc1cccc(F)c1)Nc1nc2ccc(F)cc2s1,-0.9578155279159546
+Cc1ccc(CNC(=O)[C@H]2Cc3ccc(Br)cc3O2)cc1,-1.100875735282898
+Cc1ccc(CNC(=O)NC2CCOCC2)cn1,-1.6458462476730347
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.2145681381225586
+COc1cc(C)c(NC(=O)Cc2ccc(Br)cc2)cc1Cl,-0.861549437046051
+Cc1ccc(C(=O)NCC(O)Cc2ccc(N)cc2)cc1,-1.4899312257766724
+CC[C@H](C)C(=O)N1CCC(NC(=O)c2ccc(O)cc2)CC1,-1.165150761604309
+Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)no1,-0.9486664533615112
+COc1ccc(C[C@@H]([NH3+])C(=O)Nc2ccc(F)cc2)cc1,-1.39304780960083
+c1ccc(Cc2noc(-c3ccc(N4CCOCC4)cc3)n2)cc1,-1.236950159072876
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.9554083347320557
+c1ccc(CN2CCC(c3noc(C4CCCCC4)n3)CC2)cc1,-1.1772446632385254
+O=C(CC1CCOCC1)N1CCC(Oc2ccc(Cl)cc2)CC1,-1.3679887056350708
+Fc1ccc(CN2CCNCC2)cc1,-1.8020468950271606
+Cc1cc(C(=O)NC2CCN(c3ccc(F)cc3)C2)no1,-1.2478649616241455
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)o1,-1.2283118963241577
+CC(C)(C)c1ccc(N2CC[NH+](Cc3ncco3)CC2)cc1,-1.2921637296676636
+CC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1,-1.2933436632156372
+O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-1.2749613523483276
+O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)nc1,-1.4959067106246948
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1,-0.8671141862869263
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)cc2)o1,-1.2933969497680664
+Nc1ccc(C(=O)NCC2CCCCC2)cc1,-1.6552010774612427
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.0613195896148682
+O=C(Cn1cnc2ccccc21)NCc1ccc(F)cc1,-1.2462718486785889
+CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1,-1.0978492498397827
+O=C(NC1CCN(c2cccs2)CC1)c1ccc2[nH]ccc2c1,-1.0281071662902832
+CCCCCCCCCCCCCCC(=O)Nc1ccc(OCCN)cc1,-1.5703970193862915
+O=C(NCC1CCCC1)N1CCO[C@H](C2CC2)C1,-1.6177998781204224
+O=C(Nc1ccc(OCCCO)cc1)c1ccccc1,-1.684059739112854
+CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.5527689456939697
+O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1ccc2nc[nH]c2c1,-1.0564055442810059
+Cn1nccc1CC(=O)NC1CC(c2ccc([O-])cc2)C1,-1.3084765672683716
+COc1ccc(CNC(=O)[C@H]2CCC[NH+]2C)cc1,-1.612236499786377
+Cc1[nH]c(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c[nH+]1,-1.1455965042114258
+O=C(Nc1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1,-1.136811375617981
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.0924137830734253
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.081185221672058
+Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(F)c1,-0.9833621978759766
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F,-0.9536741375923157
+C[C@H]1CN(Cc2cccc(Cl)c2)CC[NH+]1CC1CCCCC1,-1.1641504764556885
+Cc1ccc(NC(=O)CC(=O)N[C@H]2CCC2(C)C)cc1,-1.498665690422058
+O=C([C@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.8816269636154175
+Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.1924991607666016
+COc1ccc(CNC(=O)c2coc(C)c2)cc1,-1.636371374130249
+CN(Cc1cccs1)C(=O)Nc1ccc(Br)cn1,-1.4920203685760498
+c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1,-1.2697172164916992
+Fc1ccc(COc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.168797492980957
+C[C@@H]1COCC[C@@H]1NC(=O)c1cccc(-c2ccc(F)cc2)c1,-1.1165164709091187
+O=C(c1ccc2oc(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,-0.7649136781692505
+O=C(Nc1ccc(F)cc1O)N1CC[NH+](C2CCCCC2)CC1,-1.017764925956726
+Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c(F)c1,-1.0172330141067505
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1,-1.0115975141525269
+O=C(CCc1ccc(F)cc1F)NCc1ccc(O)cc1,-1.4257643222808838
+Cc1cccc(OC2CCN(C(=O)c3ccccc3F)CC2)c1,-1.1491116285324097
+Cc1ccc(N2CCN(C(=O)c3ccc4ccc(C)cc4n3)CC2)cc1,-0.5997393131256104
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1404595375061035
+CC1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3F)CC2)CC1,-0.5385057926177979
+CCc1ccc(C(=O)NC(CC)CCC2CCC(=O)O2)cc1,-1.50480055809021
+O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2ccccc2)C1,-0.9693993926048279
+Nc1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1,-0.9785867929458618
+Cc1nc(C)c(C(=O)NNCc2ccccc2)s1,-1.3029992580413818
+Cc1ocnc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1,-1.0130469799041748
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.1045279502868652
+O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1,-1.2230257987976074
+C[NH+]1CCN(c2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1,-1.1223816871643066
+Cc1ccc2nc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc2c1,-0.535286009311676
+O=C(COc1ccc(F)cc1)NC1CC2(CCCCC2)C1,-1.5503252744674683
+CC(C)c1c(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cnn1C,-0.6701897382736206
+Cc1ccc(C(=O)NCC(O)=Nc2ccc3c(c2)OCCCO3)cc1,-1.1048318147659302
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1842453479766846
+Cc1occc1C(=O)NC1C[NH+](CC2CCC2)C1,-1.6337956190109253
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.130833625793457
+O=C(Nc1ccc(F)cc1)Nc1noc2ccc(F)cc12,-1.0228590965270996
+Cc1nc(C(=O)N[C@@H]2CCC[C@H](c3csc(C)n3)C2)cs1,-0.6688643097877502
+O=C(N[C@@H]1CCCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1,-1.1775124073028564
+O=C(CNC(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1,-0.953413188457489
+C[NH+]1CCC[C@H]2CN(C(=O)NCc3ccc(F)cc3)C[C@@H]21,-1.0170356035232544
+O=CN1CCN(Cc2ccccc2F)CC1,-1.6772843599319458
+O=C(c1ccc(F)cc1)N1CCC(NCC(F)(F)F)CC1,-0.9543613791465759
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.267460823059082
+O=C(Cc1ccc(F)cc1)N[C@@H]1CCO[C@@H]1C1CCCC1,-1.4528855085372925
+O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8118083477020264
+CCOc1ccc(C(=O)Nc2cnn(C)c2)cc1,-1.618752121925354
+N#Cc1ccc(NC(=O)N2CCCC2C2CCCCC2)cc1,-1.140358328819275
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.0286321640014648
+O=C(NC1CC12CCCC2)c1ccc(N2CCCC2)cc1,-1.3875387907028198
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.1333448886871338
+Cc1cc(O)c(NC(=O)C2CCOCC2)cc1-c1ccccc1,-1.1442252397537231
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)on1,-1.1094141006469727
+O=C(c1ccc2cc(F)ccc2c1)N1CCN(c2ccc(F)cc2)CC1,-0.5901909470558167
+CC(=O)c1ccc(CC(=O)Oc2ccc(O)cc2)cc1,-1.5619902610778809
+O=C(NC[C@H](O)Cc1ccccc1)c1cccc2c1OCCO2,-1.4247891902923584
+Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1,-1.2887269258499146
+O=C(NC1CC(c2cccc(F)c2)C1)c1ccc(Cl)nc1,-0.9189901947975159
+C[C@H]1CN(Cc2ccc(O)cc2)CC[NH+]1Cc1ccccc1,-1.4924200773239136
+Cc1cc(NCc2cccc(Cl)c2)ccc1-c1ccccc1,-1.15509831905365
+C[C@@H]1C[NH+](C[C@@H]2CCCCO2)CCN1Cc1ccc(F)cc1,-1.5022947788238525
+Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1,-1.0899927616119385
+c1cc2cc(C3CCCCC3)ccc2cc1NCC1CCCCC1,-1.0771571397781372
+CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1,-1.602445125579834
+O=C(NCCc1ccc(O)cc1)N1CCCC2(CCC2)C1,-1.5435045957565308
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.2643461227416992
+Cc1ccc(Cl)cc1NC(=O)c1cccc(N2CCOCC2)c1,-1.1051039695739746
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.5671076774597168
+Oc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2537678480148315
+O=C(Cc1ccccc1)N1CCN(C(=O)c2cc[nH]n2)CC1,-1.354201316833496
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9661781787872314
+Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9656609296798706
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731290578842163
+Cc1ccc(C(=O)Nc2cn(C)nc2-c2cccs2)cc1,-1.0652204751968384
+O=C(C1CCCCC1)N1CCN(Cc2ccc(F)cc2F)CC1,-0.896762490272522
+CC(C)Oc1ccc(C(=O)NC2CCOC2)cc1,-1.6990453004837036
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0098235607147217
+Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1,-0.4651847183704376
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCOCC2)C1,-1.507667064666748
+Cc1ccc(C(=O)NC(c2ccccc2)C(C)(C)C)cc1,-1.5052930116653442
+Cc1cc(F)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.0712283849716187
+Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1,-1.2808804512023926
+CN1CC[NH+](Cc2ccc(I)cc2)[C@H](Cc2ccccc2)C1,-1.3844488859176636
+Cc1ccc(C(=O)N2CCN(C(O)=NCc3ccccc3)CC2)cc1,-1.1734867095947266
+CC(=O)N1CCC[C@H](NC(=O)Cc2ccc(C)cc2)C1,-1.4796338081359863
+Cc1nc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2o1,-1.0995360612869263
+CC(C)(O)CC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1,-1.3086230754852295
+O=C(Cc1cccc(Br)c1)NCCCc1ccc(F)cc1,-1.3768441677093506
+C[NH+]1CCCC[C@H]1C(=O)NCCOc1ccccc1Br,-1.4031968116760254
+O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1,-0.895545244216919
+Cc1ccc(OCc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.2338098287582397
+O=C1C[C@@H](NC(=O)N2CCC(C3CCCCC3)CC2)CCN1,-1.181496262550354
+O=C(N[C@@H]1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.8406931757926941
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1ccc(O)cc1,-1.4066108465194702
+Cc1cc(C(=O)N2CC3(CCCCC3)C2)nn1-c1ccc(Cl)cc1,-0.7362149357795715
+Cc1csc(NC(=O)N(C)Cc2ccccc2)n1,-1.5561283826828003
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5010672807693481
+C[C@H](NC(=O)CCc1ccc(Br)cc1)c1ccc(F)nc1,-1.0597611665725708
+NC(=O)c1ccc(N2CCOCC2)cc1,-1.725147008895874
+Cc1nn(C)cc1C(=O)NCc1ccccc1,-1.5684609413146973
+C[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cc1,-1.0134814977645874
+Nc1ccc2cc(C(=O)NCc3ccc(F)cc3)[nH]c2c1,-1.0581910610198975
+Cc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1,-1.1935622692108154
+O=C(c1cc2ccccc2o1)N1CC[NH+](CCC2CCC2)CC1,-1.3205147981643677
+CCOc1ccc(C(=O)N2CCCCC2CCO)cc1,-1.5528453588485718
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.282364845275879
+O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(Br)cc1F,-0.8268976211547852
+C[C@@H]1CN(c2ccc(C[NH2+]C3CCOCC3)cc2)C[C@@H](C)O1,-1.4983317852020264
+O=C(CN1CCCCC1)NCC1CC2(CCCCC2)CO1,-1.623855710029602
+C[C@@H]1CCN(c2cccc(NC(=O)c3ccccc3)c2)C1=O,-1.217979073524475
+Cc1ccccc1C(=O)N[C@H]1CC[NH+](C)C[C@H]1C1CCCCC1,-0.998755693435669
+O=C(Nc1ccc(Br)cc1)N1CCC[C@H](N2CCCC2=O)C1,-0.973903477191925
+Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1c1cccc(F)c1,-0.9677954912185669
+CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,-1.3886806964874268
+C[NH+]1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,-1.293472170829773
+Cc1cc(F)c(NC(=O)c2ccccc2)c(-c2ccccc2)c1,-1.0306622982025146
+Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(C)o3)C2)no1,-1.2441202402114868
+Cc1ccc(NC(=O)c2ccccc2C)cc1,-1.6337443590164185
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.9172565340995789
+O=C(c1ccccc1)N1CCNCC1,-1.7865642309188843
+[NH3+][C@H](CC(=O)NCC1CCCCC1)Cc1ccc(Cl)cc1,-1.4857628345489502
+COc1ccc(NC(=O)Cc2cc3c(s2)CCCC3)cc1,-1.202505111694336
+Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1,-1.117164134979248
+C[C@@H](Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,-1.4315176010131836
+CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1062957048416138
+Cc1cnccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-0.8767232894897461
+C[C@@H]1CCCCN1c1ccc(CNC(=O)C(N)=O)cc1,-1.3279805183410645
+C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2)C[C@@H]1C,-1.3807263374328613
+O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,-1.0268092155456543
+O=C(Nc1ccccc1Cl)c1ccc(F)cc1,-1.4179341793060303
+Cc1ccc(N2CCCC[C@@H]2C(=O)Nc2ccccc2Cl)cc1,-0.9523347616195679
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.0133912563323975
+Cc1ccc(CN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1,-1.4646114110946655
+O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCOCC2)CC1,-1.1725821495056152
+O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4944489002227783
+O=C(N[C@H]1CCCC[C@H]1F)N1CCCC[C@H]1c1ccc(F)cc1,-0.9393548369407654
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874137043952942
+O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1,-1.4557280540466309
+O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cccs1,-0.9881667494773865
+CCNC(=O)Nc1ccc(-c2noc(C)n2)cc1,-1.5354071855545044
+O=C(CCc1ccccc1)NC1CCN(c2ccccc2)CC1,-1.508786678314209
+O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1cn[nH]c1-c1ccccc1,-1.0015673637390137
+COc1ccc(C(C)(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1,-1.2815238237380981
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.238785982131958
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.3342498540878296
+Cc1cc(O)ccc1NC(=O)c1cc(-c2ccccc2)nn1C,-0.9887369275093079
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.897571325302124
+Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cn1,-1.122907280921936
+O=C(Nc1conc1-c1ccc(Br)cc1)[C@@H]1CC[C@@H](F)C1,-0.8975762128829956
+Cc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.1723122596740723
+Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1,-0.9970641732215881
+[NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccnn1-c1ccc(Br)cc1,-0.8385191559791565
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)cc1,-1.4067035913467407
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.7969667911529541
+COC(=O)c1ccc(C[NH+]2CCOC3(CCCCCC3)C2)cc1,-1.5285453796386719
+Cc1ccc(-c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C)cc2)cc1,-1.2098710536956787
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1F,-1.3375471830368042
+CN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1530977487564087
+CC(C)Oc1ccc(CNC2CCC2)cc1Cl,-1.55027437210083
+CC1CC[NH+](C[C@H]2CCCC[NH+]2Cc2ccc(Br)cc2)CC1,-1.2628852128982544
+Cc1ccc(CN2C(=O)OC[C@H]2Cc2ccccc2)cc1,-1.5395618677139282
+CN1CCN(c2ccc(COc3ccc(Cl)cc3)cc2)CC1,-1.2632474899291992
+O=C(Cc1ccccc1)N1CCNCC1,-1.7716659307479858
+Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cn1,-1.0147595405578613
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2434372901916504
+O=C(CCCOc1ccccc1)Nc1ccc(Cl)c(Cl)c1,-1.4860143661499023
+Cc1ccc(NC(=O)C(=O)Nc2ccc(O)cc2)cc1,-1.5599294900894165
+Cc1ccc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2c1,-0.9090401530265808
+O=C(NCc1ccc(O)c(F)c1)c1cnc2[nH]ccc2c1,-0.9939005374908447
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.8639624118804932
+C[C@@H]1Cc2cc(C(=O)NCC[C@@H]3CCCCO3)ccc2O1,-1.4562973976135254
+C[C@H]1C[NH+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2959703207015991
+O=C(O)c1ccc(CNCc2ccccc2)cc1,-1.6712932586669922
+O=C(CCCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1,-1.4433536529541016
+C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCC[C@@H](F)C1,-0.7163075804710388
+C[C@@H]1CN(C(=O)NCc2nc3ccccc3[nH]2)C[C@H](C)O1,-1.097376823425293
+Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1720579862594604
+Nc1ccc(N2CCC(NC(=O)c3ccccc3N)CC2)cc1,-1.012201189994812
+Cc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2s1,-0.7919252514839172
+COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1,-1.298444390296936
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1,-1.2985330820083618
+Cn1cc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2,-0.9718968868255615
+Cc1ccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2)s1,-1.0430185794830322
+CCCCc1ccc(OCC(O)=NCc2ccc(C)cc2)cc1,-1.5163966417312622
+O=C(Nc1ncccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.7932969331741333
+O=C(c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0134063959121704
+O=C(Nc1cccc(F)c1)N1CCCN(c2ccccc2)CC1,-1.4695557355880737
+OC(CN[C@H]1CCCNC1)=NC1CC[NH+](Cc2ccccc2)C1,-1.492319107055664
+Cc1ccc(CNC(=O)C(=O)N2CCCC(C)C2)cc1,-1.4340107440948486
+Cc1ccc(NC(=O)NCC2CCCCC2)cn1,-1.6250532865524292
+CC(=O)Oc1ccc(OCc2ccccc2)cc1,-1.7080649137496948
+COc1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1,-1.2837843894958496
+Oc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.4509694576263428
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC12CCCC2,-1.1086279153823853
+O=C(Nc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1,-1.0844550132751465
+[NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1,-1.464416742324829
+Cc1ccc(F)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.18654203414917
+O=C(NCC1CC2CCC1CC2)c1ccc2c(c1)OCO2,-1.0642286539077759
+CCCCCCCCCCCCCCCOC(=O)C(C)Oc1ccccc1,-1.5521982908248901
+Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Br)c2)s1,-0.9979962706565857
+Cc1cc(F)ccc1C(=O)N[C@H]1CCCO[C@@H]1C1CCCCC1,-1.0220309495925903
+Oc1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.3153051137924194
+C[NH+]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1,-0.9789168238639832
+C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8874001502990723
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(O)cc2)o1,-1.4164315462112427
+O=C1CSc2ccc(C(=O)NCc3ccco3)cc2N1,-1.410778284072876
+Cc1ccc(CNc2cc(Cl)ccc2-c2ccccc2)cc1,-1.170274257659912
+Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5128681659698486
+C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3O)CC2)CC1,-1.141436219215393
+Brc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2330588102340698
+O=C(NCc1ccccc1)Nc1ccc(Cl)nc1,-1.59151029586792
+O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1F,-0.8595787286758423
+Cc1ccc(CNc2ccc(-c3ccccc3)c(Cl)c2)cc1,-1.1902012825012207
+Cc1ccc(OC2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2126530408859253
+C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(N)cc1,-1.1889135837554932
+Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1,-0.8351589441299438
+CC(C)(C)[C@@](C)(O)CNC(=O)Nc1ccc(Br)cc1,-1.497584342956543
+Cc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2785043716430664
+O=C(Cc1cccc(O)c1)NCc1ccc2nc[nH]c2c1,-1.3546253442764282
+Cn1nc2ccc(C(=O)NCc3cccc(F)c3)cc2n1,-0.9120380282402039
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.230124831199646
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.3726776838302612
+C[NH+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc(F)cc2)C1,-1.2291315793991089
+O=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1ccc(F)cc1,-0.978898823261261
+CC1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1,-1.2366656064987183
+[NH3+]c1ccc(CNC(=O)Nc2ccccc2)nc1,-1.6490617990493774
+CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1,-1.5602800846099854
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1,-1.3828045129776
+CCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1,-0.7206146121025085
+O=C(c1ccc(F)cc1)N1CCC[C@H](Cc2ccccc2F)C1,-0.9996929168701172
+c1ccc(N2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc1,-1.0787584781646729
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2746049165725708
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1600542068481445
+Cc1ccc(CN2CC[NH+](Cc3ccc(N)cc3)CC2)cc1,-1.411718487739563
+CS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1,-1.1107428073883057
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2146693468093872
+Cn1cc(CC(=O)Nc2ccc(N3CCCC3)cc2)cn1,-1.433936595916748
+N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,-1.530907392501831
+O=C(COc1cccc(Br)c1)Nc1nc2c(s1)CCCC2,-0.9110462665557861
+O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1,-1.520799160003662
+CC1(C)CN(C(=O)NCCCc2ccc(F)cc2)CCO1,-1.5477728843688965
+C[C@H]1CN(C(=O)N[C@H]2CCCC[C@H]2O)CC[C@@H]1c1ccccc1,-1.082536220550537
+Brc1ccc(NCC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0946087837219238
+O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1,-0.8354811072349548
+O=C(c1ccc(F)cc1Cl)N1CCC(Cc2ccccc2)CC1,-1.0445399284362793
+Cc1ccc(OCc2ccc(O)cc2)c(-c2ccccc2)c1,-1.3747509717941284
+CC1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1,-1.2156654596328735
+CCOc1ccccc1N1CCN(C(=O)CC[S+](C)[O-])CC1,-1.3074305057525635
+O=C(N[C@H]1CC12CCCC2)N1CCN(c2ccccc2Cl)CC1,-0.9407271146774292
+C[NH+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1,-1.4862157106399536
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1417628526687622
+O=C(c1ccccc1Br)N1CCC(Nc2ccc(F)cc2)CC1,-0.8914374113082886
+Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1Cl,-0.97089684009552
+Cc1cc(O)ccc1C(=O)NCC[NH+]1C[C@@H](C)O[C@@H](C)C1,-1.3250192403793335
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1,-1.056209921836853
+O=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1,-1.1195741891860962
+Cc1ccc(-n2ccc(NC(=O)c3ccc(C)s3)n2)cc1,-1.0845402479171753
+CCN=C(O)N1CCC(CNCc2cccc(C)c2)CC1,-1.4789154529571533
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1,-1.0102547407150269
+C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)OCCO2,-1.2299106121063232
+O=C(NCc1ccc(Cl)cc1)N1CCCC2(CCCC2)C1,-1.4249694347381592
+O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1,-1.1431925296783447
+Cc1ccc(Cl)c(NC(=O)N2CCN(c3ccccc3)CC2)c1,-0.9838445782661438
+C[C@@H]1CN(c2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1,-1.0271551609039307
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1,-0.9408209323883057
+O=C(N[C@H]1C[C@H]1C1CCOCC1)c1ccc(-n2cccn2)cc1,-1.180980920791626
+O=C(NC[C@H]1C[C@@H]1C1CCOCC1)c1ccc(Cl)c(F)c1,-0.9407933354377747
+CS(=O)(=O)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1,-1.126053810119629
+CC[NH+]1CCC(CNC(=O)c2ccn(C)c2)CC1,-1.614113450050354
+Cc1ccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccccc2Cl)cc1,-1.0341484546661377
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2391620874404907
+COc1ccccc1CC(=O)NCCc1ccccc1,-1.6229737997055054
+Cc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1,-1.077885389328003
+O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1,-0.9210365414619446
+O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.9653247594833374
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0286240577697754
+Oc1ccc(OCc2ccccc2)cc1,-1.8035305738449097
+O=C(NC1CCN(c2cccc(O)c2)CC1)c1ccccc1F,-1.0735200643539429
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9416252374649048
+C[NH+]1CCN(c2ccccc2)CC1,-1.8681161403656006
+Oc1ccc(-c2ccc(NCc3ccc(F)cc3)cc2)cc1,-1.3367435932159424
+CC1(C)CC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)cc1,-1.1352241039276123
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2ccc(F)cc2)C1,-0.9189770817756653
+Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1,-1.5367262363433838
+O=C(Cc1cccs1)N[C@@H]1CCN(c2ccc(F)cc2)C1,-1.3359006643295288
+Fc1ccc(N2CCC(NCc3cccc(Br)c3)CC2)cc1,-1.046396255493164
+O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(O)cc1F,-1.1324493885040283
+O=C(N[C@@H]1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1O,-1.2300560474395752
+Cc1cccnc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1,-1.0764576196670532
+Cc1ccc(C[NH+]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1,-1.4679125547409058
+O=C(N[C@H]1CCC[C@H](F)C1)[C@H]1CCCN(c2ccccc2Cl)C1,-0.7940192818641663
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2[nH]1,-0.8764141798019409
+C[C@H]1C[NH+](Cc2ccc(F)cc2)CCN1C(=O)c1ccccc1,-1.2514787912368774
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(F)cc1F,-0.8892846703529358
+COc1ccc(CNC(=O)c2ccc(Br)s2)cc1,-1.4400150775909424
+COc1ccc(N2CCN(C(=O)c3cccc(N)c3)CC2)cc1,-1.114509105682373
+C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)nc1,-0.7415518164634705
+Cc1nc(F)ccc1NC(=O)N1CCC(c2ccccc2)CC1,-0.9729297757148743
+Fc1cc(-c2ccc(NCc3ccccc3)cc2)ccc1I,-1.0670037269592285
+Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2)c(C)c1,-1.1162463426589966
+CC1(F)CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1,-0.9381116032600403
+Clc1ccc(-c2ccc(NCc3ccc(Br)cc3)cc2)cc1,-1.0772156715393066
+Nc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1,-1.452062964439392
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9114658236503601
+COc1ccc(CNC(=O)c2ccc(C)o2)cc1,-1.6391808986663818
+Oc1c(I)cc(-c2ccccc2)cc1NCc1ccccc1,-1.0719380378723145
+O=C(N[C@@H]1CCCN(c2ccc(F)cc2)C1)c1ccccc1F,-0.9496327042579651
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Cl)cc2)cn1,-1.2576707601547241
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1,-1.0197936296463013
+Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(Br)c2)cc1,-1.3643001317977905
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0626815557479858
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1,-1.4230127334594727
+Cc1ccc(-n2ccc(NC(=O)c3ccn(C)n3)n2)cc1,-1.1253069639205933
+O=C(NCC1CCOCC1)Nc1ccc(F)cn1,-1.6193021535873413
+O=C(C[NH+]1CCC[C@@H](c2ccccc2)C1)Nc1ccccc1Cl,-1.2400060892105103
+O=C(NC1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F,-0.9006842970848083
+O=C(NCc1ccc(F)cc1F)N1CCC2(CCCC2)C1,-1.1262784004211426
+O=C(CC1CCCCC1)NCc1nc2cc(Br)ccc2[nH]1,-0.9701946377754211
+N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1,-1.2409576177597046
+OC(=NC1CCN(Cc2ccccc2)C1)OCc1ccccc1,-1.5483067035675049
+Cn1ncc(C(=O)NC2CCCC2)c1-c1ccc(Cl)cc1,-0.8763447999954224
+COc1ccc(C(=O)NN=C(O)COc2ccccc2)cc1,-1.555336594581604
+O=C(NCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2,-1.2158715724945068
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2068350315093994
+O=C(NC1CCC(F)CC1)c1ccc(CC(F)(F)F)cc1,-1.0339490175247192
+O=C(C[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-1.4225560426712036
+Cc1ccc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc1,-1.0259121656417847
+Cc1ccc(N2CCN(C(=O)N3CCOC4(CCCCC4)C3)CC2)cc1,-1.1293498277664185
+O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCCCC2)cc1,-1.5335699319839478
+Cc1ccc(OCc2cccc(Br)c2)c(-c2ccccc2)c1,-1.2082122564315796
+O=C([C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)N1CCCCCC1,-1.3156473636627197
+CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O,-1.200048565864563
+Cc1ccc(NC2CCC(Cc3ccc(F)cc3)CC2)nc1,-1.1687527894973755
+Nc1ccccc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1,-1.169514775276184
+C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6628965139389038
+Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](F)C2)cc1,-1.3160455226898193
+O=C(Cc1ccc(Br)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.3023767471313477
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.229812741279602
+Cc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.171494960784912
+C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6933438777923584
+O=C(CCc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1c1ccccc1,-1.492186188697815
+OC(COc1ccc(Nc2ccccc2)cc1)=NC1CCNC1,-1.5161809921264648
+COc1ccc(C[NH+]2CCCCN(c3ccccc3)C2=O)cc1,-1.4846168756484985
+O=C(c1ccccc1O)N1CCN(Cc2ccc(Br)cc2)CC1,-1.0356310606002808
+O=C(NCCCCO)c1ccc(OC2CCCC2)cc1,-1.6282120943069458
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)cc1,-1.1096919775009155
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1,-1.125794768333435
+C[C@]1(O)CCN(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1,-1.5628927946090698
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9589492678642273
+C[NH+]1CCCN(C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)CC1,-1.2512694597244263
+C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1,-1.1798914670944214
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F,-1.0777995586395264
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1I,-0.9987255930900574
+O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Br)cc1F,-0.82956463098526
+O=C(NC1CCCC1)N1CC[C@@](F)(c2ccc(F)cc2)C1,-1.1716738939285278
+Cn1ccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2)n1,-1.417362093925476
+Cc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0365818738937378
+O=C(N[C@H]1CCCN(c2cc(F)ccc2F)C1)c1ccccc1,-0.9568666219711304
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(O)c1,-1.192896842956543
+CCOC(=O)c1ccc(CN2CCCCC2=O)cc1,-1.5945078134536743
+[NH3+]C1CCC2(CC1)C[C@H](NC(=O)CCc1cccc(F)c1)CCO2,-1.407259464263916
+Cc1nn(C)cc1C(=O)Nc1ccc(-c2ccccc2Cl)cc1,-0.7430792450904846
+O=C(Nc1cc(O)ccc1F)c1ccc(N2CCCCC2)cc1,-1.0651575326919556
+O=C(c1ccc2cc(F)ccc2n1)N1CCN(c2ccc(F)cc2)CC1,-0.46132051944732666
+O=C(c1ccccc1I)N1CC[NH+](Cc2ccc(F)cc2)CC1,-0.9138996601104736
+Clc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-0.9984855055809021
+Cc1ccccc1C[C@@H]1CCCCN1C(=O)c1ccccc1O,-1.0840263366699219
+[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1,-1.017560362815857
+O=C(c1ccccc1)N1CCN(Cc2cccc(F)c2F)CC1,-0.9844974279403687
+O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H](C2CCCCC2)C1,-1.2070177793502808
+Nc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2)C1,-1.4425015449523926
+O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(F)c1,-0.8874927759170532
+Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1,-1.1841557025909424
+CC[NH+]1CCCC[C@H]1C(=O)N1CCN(c2cccc(F)c2)CC1,-0.9559458494186401
+C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCNC(=O)C1,-1.2268630266189575
+CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](Cc2ccccc2)C1,-1.159812092781067
+O=C(N[C@@H]1CC12CCOCC2)c1ccc(N2CCOCC2)cc1,-1.5228716135025024
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.9888171553611755
+O=C(c1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1,-1.482029914855957
+Cc1ccc(-c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1,-1.153178095817566
+O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1,-1.0269426107406616
+COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1,-1.6143701076507568
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.2124980688095093
+O=C([C@H]1CC=CCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.488366723060608
+COc1ccc(CNC(=O)c2ccc(C)[nH]2)cc1,-1.6248918771743774
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.00749671459198
+Cc1nn(C)c2cc(CNC(=O)C3CCCCC3)ccc12,-0.8942723274230957
+O=C(C[NH+]1CCCCC1)Nc1cc(Cl)cc(-c2ccccc2)c1,-1.2774348258972168
+Cc1ccc(OCC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1,-1.4445880651474
+C[NH+]1CCC[C@H](NC(=O)C2CCC(c3ccccc3F)CC2)C1,-0.9623496532440186
+O=C(NCC1CCCCC1)Nc1ccc(O)nc1,-1.6401835680007935
+CC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC(=O)C2)cc1,-1.2795653343200684
+CC(C)(C(=O)NC[C@@H]1CCCCC1(C)C)c1ccccc1,-1.4050312042236328
+O=C(Nc1cccc(-c2ccccc2)c1)C1CC[S+]([O-])CC1,-1.3483654260635376
+O=C(c1ccccc1Cl)N1CCC(Cc2ccc(Br)cc2)CC1,-0.8462537527084351
+Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1,-1.4558258056640625
+Cc1nc2cc(CNC(=O)c3ccc(F)cc3)ccc2[nH]1,-0.9511920213699341
+C[NH+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1,-1.3557018041610718
+CC(C)(C)c1ccc(NC(=O)c2ccc(I)cc2N)cc1,-0.8632407784461975
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.1277674436569214
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(N)c1,-1.1218199729919434
+O=C(C[C@H](O)c1ccc(F)cc1)NCc1ccc(Cl)cc1,-1.3100515604019165
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.2391769886016846
+Cc1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)o1,-1.100836992263794
+COc1cccc(NC(=O)c2ccc3c(c2)CCNC3=O)c1,-1.0611902475357056
+CCOc1cccc(C(=O)Nc2nnc(C)s2)c1,-1.3166176080703735
+O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1,-1.1284879446029663
+CC(=O)Oc1ccc(OCC2CCCCC2)cc1,-1.7405147552490234
+Cc1ccc(OC(=O)CCc2ccc(C(C)C)cc2)cc1,-1.5128947496414185
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9707435369491577
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,-1.069836974143982
+CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCC3)cc1,-1.1658062934875488
+CC[NH+]1CC[C@@H](NC(=O)Nc2cccc(I)c2)C1,-1.4665333032608032
+C[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1,-0.9129464626312256
+O=C(NCc1ccc(F)nn1)N1CCC2(CCCCC2)C1,-1.1746267080307007
+C[NH+]1CCC(C(=O)NCC2CCC3(CC[NH2+]CC3)C2)CC1,-1.5196013450622559
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589139223098755
+Cc1ccc(CNC(=O)c2cc(Cl)c(F)cc2Cl)c(C)c1,-0.4470430016517639
+Oc1ccc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1,-1.506679892539978
+O=C(COc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,-1.4948205947875977
+Cc1ccc(NC(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1,-1.0506700277328491
+COc1ccc(N2CCN(C(=O)c3ccc(F)nc3)CC2)cc1,-0.995608389377594
+Cc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2)c1,-1.40007483959198
+C[NH+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9144909381866455
+O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)C1)C1CCCCCC1,-1.3201109170913696
+Cc1ccc(CC(=O)NCCN2CCCC2=O)cc1Br,-1.1679710149765015
+Cc1ccccc1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1,-0.9455115795135498
+O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(F)cc1F,-0.961660623550415
+Cc1ccc(C)c(CNc2ccc(-c3ccccc3)cc2)c1,-1.3024157285690308
+Clc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3)C2)cc1,-1.1003336906433105
+Cc1ccc([C@@H]2OCC[C@H]2NC(=O)c2ccn(C)n2)cc1,-1.2309037446975708
+Cc1ccccc1NC(=O)N1CCC[C@@H](c2ccc(O)cc2)C1,-1.1380888223648071
+Cc1csc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n1,-0.9132580161094666
+O=C(O)N1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1,-1.1048814058303833
+COc1ccc(CNC(=O)c2cc(Br)cs2)cc1,-1.5229898691177368
+Cc1ccc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc1,-1.245079517364502
+Nc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.1867821216583252
+Cc1nc(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)cs1,-0.6754335165023804
+O=C(c1ccc2ocnc2c1)N1CCC(NC2CCCC2)CC1,-1.030517578125
+CC(C)C(=O)NCCNC(=O)c1ccccn1,-1.6807996034622192
+COc1ccc(N2CCN(C(=O)c3ccc(F)cn3)CC2)cc1,-1.1067063808441162
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1508733034133911
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.9093144536018372
+CCOc1ccc(C(=O)N2CCC(O)C3(CCC3)C2)cc1,-1.4419150352478027
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1,-1.0301886796951294
+COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1,-1.5509631633758545
+CCc1ccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)cc1,-1.003949522972107
+C[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1,-1.1265000104904175
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4263062477111816
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.5153687000274658
+CCOC(=O)c1ccc(NC(=O)C(C)C)cc1,-1.6496182680130005
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Br,-0.9162388443946838
+O=C(NC1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1,-0.9057890772819519
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.2260527610778809
+Cc1nonc1NC(=O)NCCCC[NH+]1CCCCC1,-1.5474401712417603
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0456804037094116
+Cc1cc(NC(=O)N[C@@H]2CCCOC2)ccc1S(C)(=O)=O,-1.468173861503601
+CC(C)(C)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1,-0.8803404569625854
+Clc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3)CCO2)cc1,-1.249314308166504
+Cc1noc(-c2cccc(NC(=O)c3cc(C)on3)c2)n1,-1.2474979162216187
+COC(=O)c1cccc(NC(=O)c2ccccc2)c1,-1.6131958961486816
+Cc1cc(CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)no1,-1.4374353885650635
+O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1ccccc1F,-0.9109048843383789
+Cc1cc(C[NH+]2CCN(C(=O)c3ccco3)C[C@H]2C)ns1,-1.1633708477020264
+Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1Br,-1.1421678066253662
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.5180286169052124
+C[NH+]1CCN(c2ccccc2C(=O)NC2CCCCCC2)CC1,-1.2299065589904785
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1,-1.2312580347061157
+CCCCC(=O)N1CCCC(NC(=O)c2ccc(Cl)cc2)C1,-1.2662593126296997
+Clc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1Br,-1.031814455986023
+O=C(NC1CC2(CCOCC2)C1)c1ccn(-c2ccccc2)n1,-1.4485502243041992
+O=C(c1ccccc1S)N1CCC(Cc2ccc(F)cc2)CC1,-0.9991042613983154
+O=CNc1ccc(F)c(Cl)c1,-1.8135817050933838
+O=C(NCc1ccc(O)cc1)c1cc2ccc(Cl)cc2o1,-1.2771103382110596
+Cc1ccc(CC(C)(C)CNC(=O)N2CCOCC2)cc1,-1.565253496170044
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.0866808891296387
+O=C(NC1CCN(c2ccc(F)cc2F)CC1)c1ccncc1,-0.9850984811782837
+Cc1nccnc1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-0.7985455989837646
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1415791511535645
+O=C(c1ccc(Cl)cc1)N1CCN(CCN2CCOCC2)CC1,-1.3473773002624512
+CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1Cc1ccccc1,-1.1527737379074097
+C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-0.9529544711112976
+Oc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.5057414770126343
+COc1ccc(CNCCC(=O)N2CCCCC2)cc1,-1.6102213859558105
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0731394290924072
+O=C(NC1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,-1.0737677812576294
+C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3O)cc2)CC1,-1.1701040267944336
+Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)ccc1Br,-1.1008507013320923
+COc1cccc(CNC(=O)c2ccc(Br)s2)c1,-1.4039486646652222
+O=C(Nc1ccc(F)nc1)c1ccc(N2CCNC2=O)cc1,-1.0267988443374634
+CN1CCN(c2ccc(OCC(=O)N3CCCCC3)cc2)CC1,-1.399349331855774
+O=C(c1ccc(Br)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,-0.5068877935409546
+Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C)CC2)cc1,-1.0528314113616943
+O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)cc1,-1.2742784023284912
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.3896108865737915
+O=C(C(=O)N1CCC[C@H](c2ccc(F)cc2)C1)N1CCCCCC1,-1.0160077810287476
+Cc1ccc(CNC2CCN(c3ccc(O)cc3)CC2)cc1,-1.3450871706008911
+O=C(c1ccc(C2CC2)cc1)N1CCC(c2ccccc2)CC1,-1.101750135421753
+CN(C(=O)c1ccc(N2CCOCC2)nc1)c1ccc(F)cc1,-1.034946084022522
+COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1,-1.4214603900909424
+Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1,-0.9564593434333801
+O=C(Nc1ccc(Cl)c(Br)c1)C(=O)NC1CCCCC1,-0.9567508697509766
+NC(=O)[C@H]1CCC[NH+](CC(=O)Nc2ccc(Br)cc2)C1,-1.2760376930236816
+COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1,-1.382082223892212
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1F,-1.149718999862671
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1000759601593018
+Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.1241470575332642
+Cc1ccccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1,-1.0271064043045044
+Cc1nn(C)cc1CN1CC[NH+](Cc2ccccc2Cl)CC1,-0.8913425803184509
+Cc1ccc(CCNS(=O)(=O)CC2CCCCC2)cc1,-1.6085870265960693
+Cc1ccc(CNc2ncccc2-c2ccc(Br)cc2)cc1,-1.124912142753601
+O=C(Cc1ccc2sccc2c1)NCc1ccc(O)cc1,-1.367507815361023
+O=C(c1ccccc1I)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.821461021900177
+C[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)O)cc2)CC1,-1.4710601568222046
+CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,-1.1406279802322388
+Cc1nc2cc(COC(=O)c3ccc(O)cc3)ccc2o1,-1.2563326358795166
+Cc1nc(NC(=O)c2ncoc2-c2ccc(Cl)cc2)n[nH]1,-0.8796414136886597
+Cc1ccccc1-c1ccc(C(=O)N[C@H]2CCC[NH+](C)C2)cc1,-1.2335665225982666
+Cc1ccc(OCC(=O)Nc2nc3ccccc3o2)cc1,-1.4884239435195923
+O=C(Cc1ccc(F)cc1)N1CC[NH+](CC2CCC2)CC1,-1.5007559061050415
+C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1,-0.9691342711448669
+CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1851978302001953
+Cc1ccccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1,-1.0576626062393188
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9272823333740234
+O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2Cl)CC1,-0.7981627583503723
+Cc1ccc(N2CCN(C(=O)[C@H](C)c3nc4ccccc4s3)CC2)cc1,-0.5120991468429565
+Cc1cccc(C(=O)NCC(=O)c2ccc([O])cc2)c1,-1.4774341583251953
+O=C(c1ccccc1)N1CCC(O)(Cc2ccc(O)cc2)CC1,-1.4856399297714233
+Fc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1F,-1.2536084651947021
+Cc1ccc(N2CC[C@@H](NC(=O)c3ccccc3)C2=O)cc1,-1.2140146493911743
+C[C@H]1C[NH+](Cc2ccc(Br)cc2)CCN1Cc1ccccc1,-1.237256646156311
+O=C(c1ccccc1Cl)N1CCC[C@@H](Oc2ccc(F)cc2)C1,-1.0142890214920044
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1,-0.9978304505348206
+NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1385877132415771
+O=C(C1CC([NH+]2CCCC2)C1)N1CCC(c2ccccc2)CC1,-1.1395304203033447
+Nc1ccc2cc(C(=O)NCc3ccc(F)cc3)sc2c1,-0.9508956074714661
+Nc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1,-1.0823513269424438
+O=C(N[C@@H]1CCCO[C@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9674397706985474
+Cc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1,-1.1427929401397705
+C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2O)CC[C@H]1c1ccccc1,-1.0808812379837036
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.1693960428237915
+c1cc(N2CCCCC2)ccc1CNC1CC2(CCCC2)C1,-1.5183900594711304
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.2479581832885742
+CN1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1,-1.2026512622833252
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.911085844039917
+CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,-1.1084424257278442
+O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1,-1.339946985244751
+C[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.0906442403793335
+Cc1ccccc1NC(=O)C1CCN(c2cccc(F)c2)CC1,-1.0293831825256348
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,-1.4702904224395752
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(O)cc2)C1,-1.5089540481567383
+CC1CCCC(CNc2ccc(-c3ccc(O)cc3)cc2)C1,-1.335045576095581
+COc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c(Cl)c1,-1.01406729221344
+Oc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1,-1.1293025016784668
+CC1(C)CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CCCCC2)C1,-1.5406262874603271
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1455836296081543
+Cn1cc(C(=O)NCc2ccc(Br)cc2)c2ccccc21,-0.9652480483055115
+C[C@@H]1CC(=O)N(c2ccc(C(=O)Nc3ccccc3)cc2)C1,-1.4586446285247803
+Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c(Cl)c1,-0.979731559753418
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)on1,-1.145414113998413
+Nc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1,-1.4753388166427612
+O=C(NCc1nc2ccc(F)cc2s1)c1ccc(F)cc1,-0.7671692371368408
+Cc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1,-1.567380666732788
+Cc1nc2ccc(CNC(=O)c3cccc(F)c3)cc2s1,-0.8618373274803162
+Nc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(Br)c1,-0.8904842138290405
+O=C(c1ccccc1F)N1CCN(Cc2ccc(F)cc2)CC1,-1.021254539489746
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1467723846435547
+Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1,-1.2944855690002441
+Fc1ccc(NCc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.2311220169067383
+O=C(NC1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.05361807346344
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1,-1.261062502861023
+CCCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCC)cc1,-1.5685060024261475
+O=C(N[C@@H]1CCC(=O)N(c2ccccc2)C1)c1ccccc1,-1.4074974060058594
+O=C(c1ncccc1F)N1CC[NH+](Cc2cccc(Br)c2)CC1,-0.8276280164718628
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-1.0077428817749023
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0565135478973389
+O=C(Nc1ccc(O)cc1)c1ccc(N2CCCC2=O)cc1,-1.2743502855300903
+Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)no1,-1.1294668912887573
+Cc1nn(C)cc1C(=O)NCCc1ccccc1,-1.535496711730957
+CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,-1.3330148458480835
+Cc1ccccc1NC(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.9653826355934143
+O=C(NCCc1ccc(Br)cc1)c1ccc2c(c1)CCC2,-1.102315068244934
+Cn1ccc(C(=O)Nc2nnc(-c3ccccc3O)s2)n1,-0.9589340686798096
+O=C(Cc1ccccc1O)N[C@@H]1CCCC[C@@H]1c1ccccc1,-1.3161851167678833
+O=C(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc21,-1.0353978872299194
+CC(C)(C)CNC(=O)N1CCN(c2cccc(Br)c2)CC1,-1.0997892618179321
+O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(F)cc2)C1,-0.8910923004150391
+CC1(C)CC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)cc1,-1.1194251775741577
+Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.3448299169540405
+C[C@H]1CCC[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1,-0.9363455176353455
+COc1cc(CNC(=O)c2cnns2)ccc1Br,-1.1480003595352173
+C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccccc1,-1.5814484357833862
+Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1,-1.2460533380508423
+C[C@@]1(NC(=O)c2ccccc2)CCC[NH+](C2CCCCC2)CC1,-1.4724093675613403
+Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccccc2Cl)cc1,-1.0439419746398926
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)c(C)n1,-0.9133866429328918
+CCCCC(=O)NC1CCN(C(=O)c2ccc(O)cc2)CC1,-1.514638900756836
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1,-1.1657023429870605
+O=C(c1ccc2c(c1)CCCCN2)N1CCN(c2ccc(F)cc2)CC1,-0.6402772665023804
+O=C(C[C@H](O)c1ccc(F)cc1)NCc1ccc(Br)cc1,-1.2825597524642944
+Cc1ccc(CN(C)C(=O)CCc2ccc(F)cc2)cc1,-1.4230002164840698
+O=C(NCc1ccccc1)Nc1ccc(F)nc1,-1.6800575256347656
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.034822702407837
+Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(O)c1,-1.1403794288635254
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.039554238319397
+Cc1ccc(C2CC(NC(=O)c3ccc(F)nn3)C2)cc1,-1.01777982711792
+CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1,-1.5819814205169678
+C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1,-0.9326296448707581
+CCCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1,-1.5486286878585815
+O=C(NC1CCC(n2cccn2)CC1)N1CC[NH+]2CCC[C@@H]2C1,-0.9846026301383972
+Cc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)s1,-0.8676407337188721
+C[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1,-1.1633800268173218
+Cc1ccc(NC(=O)NCc2ccccc2)cc1,-1.6858067512512207
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)no1,-1.1527456045150757
+O=C(c1ccc(Cl)cc1F)N1CCCC[C@H]1CC1CCCCC1,-0.7789556384086609
+FC(F)(F)c1ccc(Cc2nc(-c3ccccc3)no2)cc1,-1.089165449142456
+O=C(Nc1ccc(F)cc1Cl)N1CCC(c2ccccc2)CC1,-0.8869592547416687
+O=C(Nc1nc2ccccc2[nH]1)c1ccc(-n2cccn2)cc1,-0.9900327920913696
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.9110893607139587
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2)C1,-1.0656954050064087
+Cc1nnc(NC(=O)N2CCC(c3ccn(C)n3)CC2)s1,-0.7167311906814575
+O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.8593196868896484
+Cc1ccc(C[NH+]2CCCN(C(=O)c3ccccc3)CC2)cc1,-1.447180151939392
+O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ccccc2F)C1,-0.8688241839408875
+Cc1ccccc1NC(=O)CCCCc1ccc(C(C)C)cc1,-1.441012978553772
+Cc1cc2c(o1)C[NH+](CCCNC(=O)c1ccccc1F)CC2,-1.1647028923034668
+O=C(c1cc(Br)ccc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0255669355392456
+Cc1ccc(CNC(=O)CCCC(=O)N2CCCCC2)cc1,-1.5357006788253784
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(=O)[nH]c1,-1.2844319343566895
+Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)[C@H]2CCC[NH+](C)C2)s1,-1.1079386472702026
+Cc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)cc1,-1.0269782543182373
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0816612243652344
+Cn1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1,-0.9927734732627869
+Cc1cc(C)cc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1,-1.3992472887039185
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2004438638687134
+Cc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.2245914936065674
+C[C@@H]1CCCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1,-1.203720211982727
+O=C(Nc1ccc(Cl)cc1F)N1CCC(c2ccccc2)CC1,-0.8955954313278198
+O=C(c1ccc(F)cc1F)N1CCN(CC2CC[NH2+]CC2)CC1,-0.8330957293510437
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.141156792640686
+CC(C)(S)CCOc1ccc(C(=O)N2CCOCC2)cc1,-1.525180459022522
+Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2)c(C)c1,-0.9939640164375305
+C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1,-1.0690507888793945
+O=C(CC1CCOCC1)NC1(c2ccc(Cl)cc2)C[NH2+]C1,-1.4886813163757324
+CC[NH+]1CCC(N2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1,-0.8327009677886963
+C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-0.969939649105072
+CCc1c(C(=O)NCc2ccccc2)cnn1C,-1.4194648265838623
+C[C@H]1C[C@@H](NC(=O)c2ccccc2O)CCN1c1ccccc1,-1.2429840564727783
+CCCCCCCCCCCCCCC(C)NC(=O)c1ccc(OC)cc1,-1.4835660457611084
+O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1F,-0.873775064945221
+O=C(NC1CCC(O)(C2CCCCC2)CC1)c1cccc(Cl)c1,-1.219247579574585
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.0832046270370483
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1585177183151245
+Cc1cc2c(cc1C)N(C(=O)c1ccc(-c3ccccc3)cc1)CCC2,-0.6283088326454163
+CC(=O)Nc1ccccc1COC1CCCCC1,-1.6692622900009155
+Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)c(O)nc1C,-0.7874441146850586
+Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)c1,-1.210968017578125
+Cc1ccc(N2CC(NC(=O)c3ccc(F)cc3)C2)cc1,-1.1919406652450562
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.1108380556106567
+O=C(NCc1ccc(Cl)cc1)N1CCC2(CCC[NH2+]C2)C1,-1.4417552947998047
+COc1ccc(C(=O)N(C)c2ccc(OC)cc2)cc1,-1.47773015499115
+CC(C)(O)CNC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.3659473657608032
+Cc1cccc(N2CCN(C(=O)NCC(F)(F)F)CC2)c1,-1.0455505847930908
+Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1,-1.5560394525527954
+Fc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl,-1.2993134260177612
+C[NH+]1CCC[C@@H](CNC=O)C1,-1.922278881072998
+CC(C)(C(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1,-1.215775728225708
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.0781598091125488
+Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.2992630004882812
+C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.2104899883270264
+N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1,-1.528734803199768
+Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)ccc34)CC2)cc1,-0.6878901720046997
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1,-1.2125011682510376
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1238332986831665
+N[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.1883913278579712
+CCCC(=O)Nc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1,-1.5389758348464966
+Oc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1,-1.2610132694244385
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.1355462074279785
+O=C(C[NH+]1CCN(c2ccc(Br)cc2)CC1)Nc1ccccc1,-1.3046692609786987
+COc1ccc(COCc2ccc(Br)cc2Br)cc1,-1.4350109100341797
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6140259504318237
+O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCN(c2ccc(F)cc2)C1,-1.055116891860962
+CC(=O)Nc1ccc(OCc2ccccc2)cc1,-1.6987173557281494
+O=C(N[C@H]1CCC(F)(F)C1)c1csc(-c2ccccc2)n1,-1.0203704833984375
+Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)cc1Cl,-0.8894263505935669
+O=C1NCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1,-1.060633897781372
+Cc1cc(N)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0647389888763428
+O=C(C1=CCOCC1)N1CCC(OCc2ccccc2)CC1,-1.5494545698165894
+O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)N1CC[C@H](F)C1,-0.9826257824897766
+C[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,-1.0366441011428833
+CC(C)(O)CCC(=O)NCc1ccc(-n2ccnc2)cc1,-1.5776429176330566
+CC(C)CNC(=O)N1CCN(c2ccc(Br)c(F)c2)CC1,-0.7316211462020874
+C[C@H](C(=O)[O-])C(C)(C)C(=O)Nc1ccc(N2CCOCC2)cc1,-1.1859056949615479
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2935295104980469
+O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1,-1.5182769298553467
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9598050713539124
+Cc1ccc(C(=O)NCc2coc3ccc(Br)cc23)cn1,-0.9108515381813049
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cn1,-1.1864069700241089
+Cc1cc(F)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0982834100723267
+[NH3+]c1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.468440294265747
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0314356088638306
+Cc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.2748138904571533
+Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1,-1.1684621572494507
+Cc1cc([NH3+])ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.1820391416549683
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,-1.1939646005630493
+O=C(NCc1ccc(F)cc1)C(=O)c1ccc(F)cc1,-1.3261005878448486
+Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1,-1.267581582069397
+[NH2+][C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0141891241073608
+Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n[nH]1,-1.1375089883804321
+Fc1ccc(-c2ccccc2)c(NCc2ccc(Cl)cc2)c1,-1.1023718118667603
+O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ncccc1Cl,-1.1271966695785522
+CCc1cc(C(=O)NCc2ccc(Cl)cc2)no1,-1.445630669593811
+Cc1cc(NCc2ccc(C(C)(C)C)cc2)ccc1F,-1.195966362953186
+Cc1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)cc1,-1.449593424797058
+CCOc1ccc(C(=O)Nc2nc(Cl)cs2)cc1,-1.3124459981918335
+C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1,-1.243306279182434
+C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,-1.046479344367981
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O,-1.1481337547302246
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1,-1.3790465593338013
+O=C(Nc1ccc(F)cc1)C1(c2ccc(F)cc2)CCC1,-1.1977512836456299
+O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl,-1.2530659437179565
+COC(=O)c1ccc(NC(=O)c2ccccc2)cc1,-1.6139822006225586
+Cc1nc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1Br,-0.9009502530097961
+Cc1cc(I)ccc1C(=O)N(C)Cc1ccc(F)c(F)c1,-0.62859708070755
+Fc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F,-1.2475517988204956
+CC(C)(C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1,-1.537343978881836
+Cc1cc(NC(=O)N2CCC(C(C)C)CC2)c(O)cc1Br,-0.7055835127830505
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0559141635894775
+CN1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O,-1.201749563217163
+O=C(C1CCSc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1,-0.647102952003479
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2216154336929321
+Cc1ccc(-c2nocc2C(=O)NCCC(C)(C)C)cc1,-1.2692813873291016
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(O)cc1)CC2,-0.8540536761283875
+c1ccc(CN2CCC[C@@H](c3noc(-c4ccccc4)n3)C2)cc1,-1.2349534034729004
+O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2)CC1,-1.465553641319275
+CC1CN(c2ccc(F)cc2)C(C)CN1C(=O)c1ccc(F)cc1,-0.6303888559341431
+CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5250248908996582
+O=C(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1,-1.0395640134811401
+CC[C@@H](C)CC(=O)N1CCCC[C@H]1NC(=O)c1ccccc1,-1.376539945602417
+Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1,-1.0446782112121582
+COc1ccc(C(=O)NCc2ccc(N)s2)cc1,-1.501861810684204
+Fc1ccc(OC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2575150728225708
+O=C(Nc1ccc(O)cc1F)N1CCN(c2ccccc2)CC1,-1.0919995307922363
+COc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1,-1.5068588256835938
+Cc1cc(F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1,-0.9229118824005127
+Cc1ccc(CSCC(O)=NNC(=O)c2ccccc2)cc1,-1.5007394552230835
+Cc1ccc(N2CCN(C(=O)c3cc(O)ccc3O)C[C@H]2C)cc1,-0.9011285305023193
+Cc1cccc(C(NC(=O)c2ccc(N)cc2)C(C)C)c1,-1.1416822671890259
+Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,-1.2090706825256348
+O=C(Cc1ccc2scnc2c1)OCc1ccc(Cl)cc1,-1.1496719121932983
+Cc1cccc(CNC(=O)c2ccc3nc(C)[nH]c3c2)c1,-0.9945599436759949
+Cc1nc(NC(=O)c2ccc(-c3cccc(F)c3)cc2)oc1C,-0.9172571897506714
+O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O,-1.2762118577957153
+Nc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.3007630109786987
+O=C1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1,-1.4150245189666748
+C[C@@H]1C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)CCO1,-1.4800282716751099
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.9283467531204224
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.0699994564056396
+C[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1,-1.3804653882980347
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,-1.082363486289978
+Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2s1,-0.876613974571228
+O=C(N[C@H]1CC12CCCC2)c1ccc(-n2cccn2)cc1,-1.3602399826049805
+Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.5172574520111084
+CCNC(=O)NCC[C@@H](C)C[NH+]1CCC[C@H](C)C1,-1.643428087234497
+Cc1cc(C(=O)N2CC[C@@](O)(Cc3ccccc3)C2)n[nH]1,-1.4976509809494019
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2s1,-0.8596540689468384
+O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1,-1.156553864479065
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0137101411819458
+O=C(Cc1ccc(Br)cc1)NCc1cc2ccccc2[nH]1,-1.2520424127578735
+Fc1cccc(C[NH2+]C2CCN(c3ccc(Br)cc3)CC2)c1,-1.1709157228469849
+O=C(Cc1ccc(Cl)cc1)NC[C@H](O)Cc1ccccc1,-1.581344485282898
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.499880313873291
+Nc1ccc(C(=O)NCC(O)=NCCc2ccccc2)cc1,-1.5165191888809204
+C[C@H](NC(=O)N1CC2(CCOCC2)C1)c1ccc(Cl)cc1,-1.499463438987732
+O=C(NCCC[NH+]1CCOCC1)N1CCCC2(CCCCC2)C1,-1.5458225011825562
+CCCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1,-1.518559217453003
+CC(=O)N1CCC[C@H](C(=O)N2CCC(c3cccs3)CC2)C1,-0.9608608484268188
+O=C([C@@H]1CCC[NH2+]CC1)N1CCC(Nc2ccc(Cl)cc2)CC1,-1.1884342432022095
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.3769667148590088
+Nc1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1,-1.4904258251190186
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3O)cc2)CC1,-1.1906566619873047
+Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,-1.1412794589996338
+C[C@@H]1CCC[C@@H](C(=O)NC[C@H](O)Cc2ccc(F)cc2)C1,-1.340975284576416
+Cn1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1,-1.0406136512756348
+Cc1ccc(CN2CCN(Cc3ccc(O)cc3)CC2)cc1,-1.4972180128097534
+O=C(NCC1CCCC1)N1CC[NH+](C2CC2)CC1,-1.6245161294937134
+Nc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1,-0.9582127928733826
+O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2F)C1,-0.967877984046936
+Cc1ccc(C2CCN(C(=O)NCC(C)(C)O)CC2)cc1,-1.5506491661071777
+CC[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.218291997909546
+CC1(C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1,-1.555187702178955
+Fc1ccc(N2CCC(NCc3cccc(Br)c3)CC2)cc1,-1.0327420234680176
+Clc1ccc(CNC2CCN(c3ccc(Br)cc3)CC2)cc1,-1.0918247699737549
+C[NH+]1CCC(NC(=O)NCc2cccnc2)CC1,-1.6463215351104736
+C[C@@H]1CCCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)C1,-1.263708472251892
+COc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2F)c1,-1.5782772302627563
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1,-1.092630386352539
+O=C(c1ccc(F)cc1)[C@@H]1CCCCN1C(=O)C1CCCC1,-1.1379867792129517
+CC1(C)CC[C@@H]1NC(=O)c1ccc(-c2ccccc2)cc1,-1.3538801670074463
+O=C(Nc1ccccc1F)C1CCN(c2ccc(Cl)cc2)CC1,-0.8993470668792725
+CC[C@@H](C)CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.4495395421981812
+Cc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)s1,-0.948153555393219
+O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1F,-1.0123839378356934
+O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1,-1.0431169271469116
+COc1ccc(CNC(=O)C2C3CCCC32)cc1,-1.4899120330810547
+NC(=O)c1cccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)c1,-1.034932255744934
+Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.4565380811691284
+CC1(C)CN(Cc2ccc(Oc3ccccc3)cc2)CCO1,-1.5773590803146362
+Cc1ccc(N2CCN(C(=O)Nc3ccccc3O)CC2)cc1,-1.1738944053649902
+O=C(Cc1ccc(Br)cc1)NC[C@@H](O)Cc1ccccc1,-1.5384788513183594
+O=C(NCC[NH+]1CCC2(CCCC2)C1)c1ccc(F)cc1,-1.53108811378479
+C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(F)cc2)CC1,-1.0111408233642578
+O=C(NC1CC(F)(F)C1)c1ccc(-c2ccccc2)cc1,-1.2732341289520264
+c1ccc(C[NH+]2CCC3(C2)C[NH+](Cc2ccccc2)C3)cc1,-1.585950493812561
+O=C(N[C@H]1CC12CCOCC2)[C@@H]1CCC[NH+](C2CCOCC2)C1,-1.4210494756698608
+Nc1ccc(-c2ccc(NCc3ccc(O)cc3)cc2)cc1,-1.351235032081604
+COc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1,-1.010514497756958
+O=C(c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1,-1.3467373847961426
+O=C(Nc1ccccc1Cl)c1ccc(Cl)cc1,-1.3367226123809814
+CC1(C)CCCN(C(=O)NC[C@@H](O)c2ccc(Br)cc2)C1,-1.249769926071167
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1,-1.069314956665039
+Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1,-1.223563551902771
+C[NH+]1CCCC[C@H]1C[NH+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1,-1.1530283689498901
+Oc1ccccc1N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1,-1.2486733198165894
+Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1,-1.1165884733200073
+Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1,-1.58698308467865
+Oc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.4429295063018799
+Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,-1.0902096033096313
+Cc1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)cc1,-1.09648859500885
+O=C(NCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1,-1.142801284790039
+CN1CC[C@@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O,-1.1952582597732544
+Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(F)c1,-1.0937120914459229
+Clc1ccc(N2CCC(NCc3ccc(Br)cc3)CC2)cc1,-0.9909212589263916
+C[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc(N3CCCCC3)cc2)C1,-1.0689036846160889
+Cc1ccc(C(=O)N2CC[NH+](CCC3CCCCC3)CC2)cc1,-1.3284361362457275
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1,-1.5500564575195312
+CCCC[NH+]1CCC[C@H](C(=O)NCc2ccccc2)C1,-1.6162478923797607
+O=C(c1ccccc1Nc1ccc(Cl)cc1F)N1CCCCC1,-0.8554378151893616
+O=C(C[NH+]1CCN(C(=O)[O-])CC1)Nc1ccc(Br)cc1,-1.3748605251312256
+O=C(Nc1ccc(N2CCOC2=O)cc1)c1cccc(F)c1,-1.2530606985092163
+O=C(c1ccc(I)cc1F)N1CCN(Cc2ccccc2)CC1,-0.9828989505767822
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN=C(O)C1,-1.3648523092269897
+Cc1cccc(F)c1C(=O)Nc1ccc(-c2ccccc2)cc1,-1.0589425563812256
+C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCC3)CC1,-1.1950135231018066
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.218805193901062
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1083300113677979
+CC[NH+]1CCN(C(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1,-0.8744636178016663
+CCCCC(=O)N1CCC(NC(=O)[C@H]2CCC[NH+](C)C2)CC1,-1.2619543075561523
+COc1cccc(CNC(=O)c2ccc(C)s2)c1,-1.5749682188034058
+O=C(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1,-1.527599573135376
+O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,-0.8313302397727966
+Cc1ccc(C(=O)NC(C)(C)CCc2ccccc2)cc1,-1.5998564958572388
+O=C(NCCS(=O)(=O)Cl)c1ccccc1N1CCOCC1,-1.4817466735839844
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0197041034698486
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1,-1.119606614112854
+Cc1ccc([C@H](O)C(C)(C)NC(=O)c2ccccc2)cc1,-1.4740161895751953
+CCc1cccnc1C(=O)N1CCN(c2ccc(Br)cc2)CC1,-0.8098598122596741
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1,-0.9337788224220276
+Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(N)cc1,-1.105238676071167
+Cc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1,-1.2655149698257446
+C[C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(C)(C)CCO)CC1,-1.3004087209701538
+C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1,-1.7199920415878296
+C[C@H]1CCCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1,-1.2173353433609009
+CC[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2S(N)(=O)=O)C1,-1.3857300281524658
+O=C(c1ccccc1F)N1CCN(Cc2ccc(O)cc2)CC1,-1.1322869062423706
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1035981178283691
+C[C@@H]1CCC[C@@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1,-1.037371039390564
+O=C(NCc1ccc(O)cc1)N1CCC2(CCOCC2)C1,-1.574155330657959
+Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1,-1.4776016473770142
+O=C(N[C@@H]1CCCNC1=O)c1scnc1-c1ccc(Cl)cc1,-0.8117644190788269
+Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1,-1.132707953453064
+CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCF)cc1,-1.5382534265518188
+CC(O)(C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1,-1.1483395099639893
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(Cl)c1,-1.2048768997192383
+Cc1ccc(COC(=O)c2ccc3nc(C)sc3c2)cc1,-0.9965025186538696
+CC(=O)NC1CCN(C(=O)c2ccc3ccccc3c2)CC1,-1.1298362016677856
+Cc1nc2cc(C(=O)NCc3ccc(N)cc3)ccc2o1,-1.1075245141983032
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961355686187744
+O=C(NC1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1,-1.1913050413131714
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1,-1.0308502912521362
+CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1,-1.1479934453964233
+O=C(Nc1ccc(-c2ccccc2)cc1)N1CC2CCCC2C1,-1.31764817237854
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5568783283233643
+Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-1.1824244260787964
+Cc1ccc(NC(=O)C(=O)SCc2ccccc2)cc1,-1.5606701374053955
+CC(C)C(=O)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1,-1.084647536277771
+CC(C)(C)c1ccc(NC(=O)N2CCNC(=O)C2)cc1,-1.3252921104431152
+O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1,-1.0204375982284546
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)ns1,-0.8511155843734741
+Cc1cc(NCc2ccc(O)cc2)ccc1-c1ccccc1,-1.363270878791809
+C[NH+]1CCN(C(=O)C[NH+]2CCC[C@@H](Cc3ccccc3)C2)CC1,-1.4701801538467407
+Cc1cc(NC(=O)c2cc(C)on2)n(-c2ccccc2)n1,-1.1665130853652954
+Cc1ccc([C@H]2C[C@H](NC(=O)c3cccc(F)c3)C2)cc1,-1.1795934438705444
+Fc1ccc(CN2CCC(Nc3ccc(Cl)cc3)CC2)cc1,-1.1514828205108643
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.146620750427246
+O=C(Cc1ccc(Cl)cc1)NCc1ccc2cc[nH]c2c1,-1.2579933404922485
+O=C(Nc1ccc2nc[nH]c2c1)c1ccn(-c2ccccc2)n1,-1.046397089958191
+O=C(Cc1ccccc1)NC[C@@H]1CCC2(CCOCC2)C1,-1.6272035837173462
+O=C(C[NH+]1CCC(C2CCCCC2)CC1)Nc1ccccc1F,-1.203743815422058
+O=C(N[C@H]1CCc2nccn2C1)c1cccc(C2CCCC2)c1,-0.9838433861732483
+Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)s1,-0.9834523797035217
+CC(=O)N1CCN(C(=O)CNc2ccc(F)cc2)CC1,-1.3082382678985596
+Cc1cc([C@H](O)CNC(=O)c2ccc(F)cc2)ccc1Cl,-1.0041803121566772
+C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1ccccc1,-1.2805635929107666
+CC(C)(C)CC(=O)c1ccc(OCc2ccccc2)cc1,-1.5686798095703125
+CC1(C)CC[C@H]1C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1,-0.914111316204071
+CC1(C)CCC[C@@H]1CNC(=O)NC1CCCCC1,-1.619842767715454
+C[C@@H](CC(=O)NCc1ccc(Br)cc1)c1ccc(Cl)cc1,-1.1110079288482666
+Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)c1,-1.055564045906067
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,-1.0098307132720947
+O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,-1.2079378366470337
+Clc1ccc(Cl)c(N2CCC(NCc3ccccc3)CC2)c1,-1.0734249353408813
+C[C@@H]1C[NH+](C)CCN1c1ccccc1NC(=O)c1ccccc1,-1.1256016492843628
+Cc1ccc(C(=O)NCC(C)(C)O)c(-c2ccccc2)n1,-1.4412187337875366
+Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)n1,-1.0519485473632812
+Cc1ccccc1C(=O)NCc1ccc(S(C)(=O)=O)cc1,-1.439896583557129
+O=C(Nc1c[nH]nc1-c1ccc(Cl)cc1)N1CC[C@@H](O)C1,-1.0302221775054932
+CN1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,-1.216331958770752
+C[C@H]1C[C@H](C)CN(C(=O)Nc2ccccc2C(=O)[O-])C1,-1.182660698890686
+C[NH+]1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2)CC1,-1.2780568599700928
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1F,-0.9617198705673218
+Cc1cc(C)cc(C(=O)N[C@@H]2CCO[C@@H]2C2CCCC2)c1,-1.2511018514633179
+O=C(Cc1ccc(Br)cc1)NC[C@H](O)Cc1ccccc1,-1.4749985933303833
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.2860218286514282
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1,-1.1651426553726196
+CC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,-1.1317954063415527
+Cc1cccc(C(=O)NC2(C)CC[NH+](CC(C)C)CC2)c1,-1.5443884134292603
+O=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)co2)CC1,-1.1228963136672974
+Cc1coc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)c1,-1.3140827417373657
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0472002029418945
+O=C1Cc2cc(C(=O)NCC3CCCCC3)ccc2N1,-1.3227131366729736
+Cc1ccc([C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[NH+](C)C2)cc1,-1.1758861541748047
+Cc1ccc(N2CCCC2=O)cc1,-1.7748061418533325
+[NH+]c1cccc(C2CC(NC(=O)c3ccc(N)cc3)C2)c1,-1.2203763723373413
+Cc1ncccc1C(=O)NC1CCN(c2ccc(O)cc2)CC1,-1.0170305967330933
+O=C(Nc1ccc(F)cc1)N1CCC[C@H](N2CCCC2=O)C1,-1.0922777652740479
+O=C(CCc1ccc(Br)cc1)NCCc1ccc(O)cc1,-1.50990891456604
+Cc1ccc(CNc2ccccc2-c2ccc(Br)cc2)cc1,-1.138570785522461
+Nc1ccc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,-1.4045273065567017
+CC(C)[NH+]1CCC(NC(=O)CCc2ccc(N)cc2)CC1,-1.3416292667388916
+O=C1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCO1,-1.496235966682434
+Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.1598665714263916
+O=C1C[NH+](CC(=O)N[C@H]2CCC[C@H]2c2ccccc2)CCN1,-1.4203519821166992
+CC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1,-1.2746577262878418
+O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1,-0.9132769703865051
+Cc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)co1,-1.0393799543380737
+[NH3+]c1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1,-1.037257432937622
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1,-0.9017032980918884
+C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1,-1.0433127880096436
+Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cs1,-0.9575232863426208
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.559868335723877
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1,-0.9643480777740479
+Nc1ccc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1,-0.4826965928077698
+Nc1ccc(C(=O)NCc2ccc3c(c2)CCCO3)cc1,-1.4169130325317383
+Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)c1,-1.1095339059829712
+O=C(Cc1nc2ccccc2o1)NCc1ccc(Br)cc1,-1.2261086702346802
+CC(C)(C)C(=O)Nc1ccc(CN2CCCC2=O)cc1,-1.3932992219924927
+C[C@H]1CCCCN(C(=O)Nc2ccc(N3CCOCC3)cc2)C1,-1.3900883197784424
+C[NH+]1CCC(Oc2ccc(NC(=O)C(C)(C)C)cc2)CC1,-1.484940528869629
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.0596091747283936
+[NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6588549613952637
+O=C(CCc1ccccc1)N[C@@H]1CCCC[C@H]1c1ccccc1,-1.493937373161316
+O=C(NCc1ccccc1)Nc1ccc(O)cc1,-1.6908036470413208
+Cc1ccc(NC(=O)C(=O)Nc2cccc(C)c2)cc1,-1.5564085245132446
+Cc1ccc(-c2nc(CN(C)c3ccc(F)cc3)no2)cc1,-0.9840748310089111
+O=C(c1cc(O)ccc1I)N1CC[NH+](Cc2ccccc2)CC1,-1.1460250616073608
+Oc1ccc(-c2ccccc2NCc2ccc(Cl)cc2)cc1,-1.1969966888427734
+O=C(C[C@@H](O)c1cccc(F)c1)OCc1ccc(Br)cc1,-1.3591318130493164
+O=C(NC1CC(F)(F)C1)N1CCCC[C@H]1[C@H]1CCCCO1,-1.1667789220809937
+Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1,-1.0704909563064575
+O=C([C@@H]1CC12CCCCC2)N1CC[NH+](Cc2ccccc2)CC1,-1.5083978176116943
+COc1ccc(C[NH2+]Cc2ccc(F)cc2Cl)cc1,-1.4724805355072021
+CC(O)(CC(O)=NCCC(=O)Oc1ccc(F)cc1)c1ccccc1,-1.450615406036377
+C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2)C1,-1.2546526193618774
+Cc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1,-1.4845876693725586
+CCCCc1ccccc1CNC(=O)C1CCOCC1,-1.5865894556045532
+Cn1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)n1,-0.9835739731788635
+C[C@@H](NC(=O)c1ccc(Br)cc1)[C@@H](O)c1ccc(F)cc1,-1.145747184753418
+O=C(Cc1ccc(Cl)cc1)NC1(c2ccccc2)COC1,-1.5235334634780884
+CCNC(=O)c1ccc(CN2CCOCC2=O)cc1,-1.636260986328125
+Cc1cc(NC(=O)N2CCCCC2)cc(F)c1-c1ccccc1,-0.9739026427268982
+O=C(CCC1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1,-1.5738555192947388
+Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.2151089906692505
+Cc1ccc(N2CCN(C(=O)NCC(C)(C)O)CC2)cc1,-1.498528242111206
+O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1,-1.0946598052978516
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,-0.8885142207145691
+O=C(CSCc1ccccc1)NC1CCCCC1,-1.6764938831329346
+O=C(NC1CC(c2ccccc2)C1)c1ccc(Br)cc1F,-0.9713346362113953
+Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1,-1.1146440505981445
+Cn1cc(NCCc2ccccc2)c(-c2ccc(Cl)cc2)n1,-1.233075737953186
+Cc1cc(N)ccc1C(=O)N1CCN(CC2CCCCC2)CC1,-1.117933750152588
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)s1,-1.1398265361785889
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n[nH]1,-0.9102810621261597
+O=C(Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.9874267578125
+CCCOC(=O)CNC(=O)c1ccc(F)cc1,-1.7057099342346191
+O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)CO2,-1.4652376174926758
+Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1,-0.9734262824058533
+O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)CC1,-1.200006127357483
+O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,-1.5014545917510986
+CN(C)c1ccc(C[NH+]2C[C@H](O)C[C@H]2c2ccccc2)cc1,-1.32302725315094
+CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1=O,-1.386160969734192
+C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1,-0.8764216303825378
+CC(C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1,-1.2873157262802124
+O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1c1ccccc1,-1.4975520372390747
+Fc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,-1.1914427280426025
+Nc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(F)c1,-0.9778808355331421
+Cc1ccc(C(=O)Nc2ccc(-c3ccccc3Br)cc2)cn1,-0.9132121801376343
+Cc1cc(C(=O)Nc2ccn(-c3ccc(F)cc3)n2)no1,-1.113329529762268
+O=C(Nc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1,-0.9648306965827942
+O=C(Cc1ccccc1)N1CCN(C(=O)c2ccon2)CC1,-1.4480036497116089
+O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,-0.49993565678596497
+C[NH+]1CCN(C(=O)c2ccc(Nc3ncccc3F)cc2)CC1,-1.048020839691162
+Fc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.0714844465255737
+Cc1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n[nH]1,-1.0785017013549805
+O=C(Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1,-1.5007022619247437
+O=C(c1cccc(Br)c1)N1CCNCC1,-1.61189866065979
+O=C(NCc1ccc(F)cc1)c1ccc2nc(O)oc2c1,-1.1424715518951416
+O=C(NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2,-1.2145724296569824
+Cc1ccc(F)cc1NC(=O)c1ccc(N2CCOCC2)cc1,-1.2100456953048706
+O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1,-1.0632373094558716
+Fc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)cc1,-1.3292866945266724
+Cc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,-1.0259339809417725
+Fc1ccc(N2CCC(NCc3ccc(Cl)cc3)CC2)cc1,-1.1561000347137451
+Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1,-1.0031156539916992
+O=C(Nc1ncccc1Br)N1CCN(c2ccc(F)cc2)CC1,-0.8669243454933167
+O=C(N[C@H]1CCCC[C@H]1O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.1294642686843872
+c1ccc(C[NH+]2CCC[C@@H](c3noc(-c4ccccc4)n3)C2)cc1,-1.2506228685379028
+O=C(COc1ccccc1Cl)N1CCN(c2ccccc2)CC1,-1.2493889331817627
+Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1,-1.2768570184707642
+Cc1ccc(N2CCN(C(=O)N[C@H]3CCCC[C@H]3O)CC2)cc1,-1.1391150951385498
+O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1,-1.2799206972122192
+C[NH+]1CCCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,-1.4246339797973633
+O=C(O)CNc1ccc(C(=O)c2ccc(Br)cc2)cc1,-1.488933801651001
+c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)no3)CC2)cc1,-1.2875709533691406
+O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cn2ccccc2[nH+]1,-1.0894744396209717
+CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2F)cc1,-0.975053071975708
+O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1F,-1.0763328075408936
+O=C(N[C@@H]1CC[C@@H](F)C1)c1ccnn1-c1cccc(F)c1,-1.0817838907241821
+O=C(NC1CCC(F)(F)C1)c1ccn(C2CCCCC2)n1,-1.0399599075317383
+C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9563142657279968
+O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccc(Cl)nc1,-0.8742929100990295
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0000147819519043
+C[NH+]1CCN(C(=O)CCCCNC(=O)C2CCCCC2)CC1,-1.5099979639053345
+C[C@@H](CC(=O)Nc1ccc(F)cc1)Oc1ccc(F)cc1,-1.5426595211029053
+O=C(NCCc1ccc(Cl)c(F)c1)c1ccc(F)cc1Br,-0.6515900492668152
+CCOc1ccc(NC(=O)c2cc(C)on2)cc1,-1.6267962455749512
+O=C1Cc2cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2N1,-0.8864492177963257
+Cc1nnnn1-c1ccc(NC(=O)c2ccc(O)cc2F)cc1,-0.8002347350120544
+Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1C,-1.3182765245437622
+O=C(c1ccc2c(c1)OCCO2)N1CCN(c2cc[nH]c(=O)c2)CC1,-0.9325321316719055
+O=C(Nc1ccccc1Cl)N1CCC(c2ccc(F)cc2)CC1,-0.8887548446655273
+Cc1ccc(CNC(=O)CC(C)(C)[NH+]2CCOCC2)cc1,-1.5598084926605225
+CC(C)CC(=O)Nc1ccc(CC2CC[NH+](C)CC2)cc1,-1.503720998764038
+O=C(N[C@@H]1CC[C@@H]2CCCC[NH+]21)c1cccc(-c2nn[n-]n2)c1,-0.7706097960472107
+Cn1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)n1,-0.9641926884651184
+O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(I)cc1,-0.888627827167511
+[NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9615239500999451
+Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1,-1.592907190322876
+Cc1ccc(CCNC(=O)CCc2ccc(F)cc2)cc1,-1.5853087902069092
+CC1(C)C[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)CCO1,-1.5490845441818237
+COc1cccc(CN2CCN(CC3CC3)CC2)c1,-1.6106758117675781
+Cc1cc(C)c(NCc2noc(-c3ccccc3)n2)cc1F,-0.936337411403656
+CCc1ccc(C(=O)NCc2ccc(Br)s2)cc1,-1.3395501375198364
+C[C@@H](c1cccc(O)c1)[NH+]1CCN(C(=O)c2ccccc2)CC1,-1.1992082595825195
+CCCCC(O)=NC1CCC(NC(=O)c2ccc(OC)cc2)CC1,-1.2819384336471558
+Cc1csc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)n1,-0.9164531826972961
+O=C(NCc1ccccn1)Nc1ccc(Br)nc1,-1.5060230493545532
+Cc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1,-1.2447463274002075
+O=C(NC1CCN(c2cccc(F)c2)CC1)c1ccccc1F,-0.9642271399497986
+C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCC2(CC[NH+](C)CC2)C1,-1.072367787361145
+Cc1ccc(CNC(=O)CCc2ccc(O)cc2)c(C)c1,-1.4435535669326782
+O=C(NCC1CC1)[C@@H]1CCC[C@@H]1c1ccccc1,-1.599839210510254
+O=C(Cc1nc2ccccc2o1)NCc1cccc(F)c1,-1.323973298072815
+Nc1ccc(NC(=O)c2ccc(CC(F)(F)F)cc2)cc1,-1.1863294839859009
+O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)cc1,-0.9418455362319946
+CC1(C)COCCN1C(=O)NC(=O)c1cc2ccccc2o1,-1.327163815498352
+COc1ccccc1CN,-1.982277750968933
+Cn1cc(C(=O)NC2CCCC2)c(-c2ccc(Cl)cc2)n1,-0.9839869141578674
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1,-1.2750446796417236
+CCC[C@H](C)C(=O)N1CCC(NC(=O)C2CC=CC2)CC1,-1.3439735174179077
+CC1CN(Cc2ccc(Oc3ccccc3)cc2)CC(C)O1,-1.528139591217041
+CC(C)C(=O)Nc1ccc(NC(=O)CC(C)(C)O)cc1,-1.556355595588684
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)no1,-1.1896151304244995
+Clc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.2769031524658203
+C[NH+]1CC[C@@H](NC(=O)c2cc[nH]c2-c2ccc(Br)cc2)C1,-1.116018533706665
+Cc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2,-0.7390800714492798
+O=C(Cc1ccccc1)NC[C@H](O)Cc1ccc(Br)cc1,-1.4884858131408691
+Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1,-1.3977596759796143
+N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1,-1.405199408531189
+Cc1ccc(N2CCCCC2)c(F)c1,-1.6773220300674438
+Cc1ccc2cc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc2n1,-0.5235166549682617
+O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)N1CCCCC1,-1.3628661632537842
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c1,-1.143075942993164
+C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3Cl)cc2)CC1,-1.0295579433441162
+O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(O)ccc1Br,-1.0371668338775635
+Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.164757490158081
+C[NH+]1CCC(NC(=O)NCc2ccccc2)CC1,-1.7056940793991089
+O=C(COc1ccc(F)cc1)N1CCC1C(O)=Nc1ccccc1,-1.2181205749511719
+Cn1ccc(CC(=O)Nc2cc(C3CCCCC3)[nH]n2)n1,-1.2526590824127197
+O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CCCCC1,-1.5023133754730225
+Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1,-0.9439532160758972
+O=C(Nc1ncccc1F)N1CCN(c2ccc(F)cc2)CC1,-0.8627194762229919
+O=C([C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccc(Br)cc2)CC1,-0.7735509872436523
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.0559093952178955
+O=C(N[C@@H]1CCCO[C@@H]1c1ccc(F)cc1)c1ccccc1Cl,-0.9690834283828735
+Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(Br)cc2)cc1,-1.357862114906311
+Cn1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccc(Br)cc2)cn1,-1.0669468641281128
+[NH3+][C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1c1ccc(F)cc1,-0.9067484140396118
+Cc1nc(C)c(CNC(=O)NC2CCOCC2)s1,-1.260661244392395
+Cc1nc2ccc(C(=O)NCc3ccc(N)cc3)cc2o1,-1.1097795963287354
+c1ccc(CN2CC[C@@H](Oc3ccc4c(c3)CCC4)C2)cc1,-1.4689513444900513
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl,-0.7488797307014465
+O=C(NCc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1,-1.56296968460083
+Cc1ccc(-n2cc(C(N)=O)cn2)cc1,-1.6512863636016846
+C[C@H]1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1,-1.5801953077316284
+Cc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1,-1.0286778211593628
+Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)c(C)c1,-1.2566238641738892
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1,-1.0035326480865479
+Cc1ccc(-c2ccc(Cl)cc2OCc2ccccc2)cc1,-1.37451171875
+C[C@H]1CCCCN(C(=O)c2cccc(NC3CCOCC3)c2)C1,-1.356054663658142
+O=C(NC(C(=O)O)c1ccc(Cl)cc1)c1ccccc1,-1.5365395545959473
+O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)cc1O,-1.1087701320648193
+CN1CC[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1=O,-1.1218479871749878
+Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21,-0.9608515501022339
+O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1,-1.13401198387146
+CCOc1ccc(C(=O)NC2CCN(C)C2)cc1,-1.614139199256897
+Cc1nc2ccc(C(=O)NCc3cccc(F)c3)cc2s1,-0.8603416681289673
+N[C@@H](C(=O)NCCNc1ccc(F)cc1)C(F)(F)F,-1.2018088102340698
+N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1,-1.125731348991394
+Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1,-1.2350502014160156
+O=C(c1ccc(F)cc1Br)N1CC[NH+](Cc2ccccc2)CC1,-0.9385841488838196
+O=C(Nc1ccc(O)cc1Cl)N1CCCC[C@H]1c1ccccc1,-0.9955288767814636
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1,-0.9535432457923889
+O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1,-0.9181296229362488
+O=C(c1ccc2cc(F)ccc2c1)N1CCC(c2ccc(F)cc2)CC1,-0.5624451637268066
+O=C(CN1CCCC1=O)Nc1ccc(-c2ccccc2)cc1,-1.5025767087936401
+Cc1ccc2nc(CNC(=O)Cc3ccccc3)[nH]c2c1,-1.2548023462295532
+Cn1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cn1,-0.9060739874839783
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.3362390995025635
+Cc1ncccc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccc(F)cc1,-0.9514263272285461
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1,-1.0094128847122192
+CC(=O)Nc1ccc(C(=O)N2CCC(C)(F)CC2)cc1,-1.4371389150619507
+Cc1cccc(CN(C)C(=O)N2CCC3(CCO3)CC2)c1,-1.5729318857192993
+O=C(CCc1ccc2c(c1)CCO2)NCc1ccccc1,-1.5524522066116333
+Cc1cc(I)ccc1C(=O)Nc1ccc(-c2ccccc2)cc1,-0.9744316935539246
+CN1CC[C@@H]([NH2+]Cc2csc(-c3ccc(Br)cc3)n2)C1=O,-0.7988462448120117
+Cc1ccc(CN2CCN(CC(=O)N3CCCCC3)CC2)cc1,-1.4233163595199585
+CC(C)(C)C(=O)NCC1CCN(c2ccccc2Br)CC1,-1.0143864154815674
+O=C(N[C@H]1CCCC[C@H]1F)c1ccc(-c2ccc(F)cc2)cc1,-1.0364936590194702
+O=C(c1ccc(O)c2ccccc12)N1CCN(c2cccc(F)c2)CC1,-0.6170679926872253
+C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccc(F)cc3)C2)C1,-0.9917336702346802
+O=C(NCC1CCOCC1)[C@H]1CCC[NH+]1C1CC1,-1.6036090850830078
+O=CNc1ccc(Cl)cc1,-1.8955538272857666
+C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C1CCOCC1,-0.9729925394058228
+Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1O,-1.5405285358428955
+O=C(NCc1ccc(Br)cn1)NC1CCCCC1,-1.5121614933013916
+O=C(Nc1ccccc1N1CCOC1=O)c1ccc(Cl)cc1,-1.1271363496780396
+C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)CCO1,-1.6933207511901855
+O=C(NC[C@H](O)Cc1ccc(Cl)cc1)c1ccc(O)cc1,-1.4296895265579224
+O=C(Nc1nc2ccccc2s1)[C@H]1CCC[C@@H]1c1ccccc1,-0.914131760597229
+O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1,-0.7968360185623169
+O=C(NC[C@H](O)Cc1ccc(Br)cc1)c1cccc(F)c1,-1.426682472229004
+C[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1,-1.5134172439575195
+O=C(N[C@H]1CCCC[C@H]1F)[C@@H]1CCCN(c2cccc(Cl)c2)C1,-0.7731262445449829
+c1ccc(C[NH+]2CC[C@@H]3CC[NH+](CC4CCCCC4)C[C@H]3C2)cc1,-1.2769646644592285
+Cc1cc(O)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.161637544631958
+Cc1ccc2nc(C(=O)N3CCN(c4ccc(Br)cc4)CC3)ccc2c1,-0.5458099246025085
+Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2)C1,-1.02711021900177
+Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2)CC1,-1.0445371866226196
+O=C(Nc1ccc(Cl)cc1F)C1(c2ccccc2)CCOCC1,-1.1791423559188843
+O=C(NC[C@@H](O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,-1.450198769569397
+O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1,-1.1907916069030762
+O=S(=O)(CCc1ccc(F)cc1)NCC1CCCCC1,-1.5838788747787476
+Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1,-1.1574777364730835
+O=C(NC1CCCCC1=O)c1ccc(-c2ccccc2)cc1,-1.3330596685409546
+COc1ccc(CNC(=O)c2cc(C)on2)cc1,-1.6181584596633911
+CC(=O)Nc1ccc(CNC2CCCCC2)cc1,-1.6599420309066772
+C[C@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CCCO1,-1.4308862686157227
+C[NH+]1CCC2(CCCN(C(=O)N3CCC(C(F)(F)F)CC3)C2)CC1,-0.766383707523346
+CC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1,-1.1577470302581787
+CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1,-1.474595546722412
+[NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cc2)CC1,-0.9350646734237671
+Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)s1,-0.9813738465309143
+c1ccc(C[NH+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1,-1.2721436023712158
+C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@@H]1C,-1.0931066274642944
+CN1CCCN(C(=O)C2CC[NH+](CC3CCCCC3)CC2)CC1,-1.279278039932251
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.038917064666748
+CCC(CC)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,-1.3298002481460571
+O=C(NC1CC[NH2+]CC1)c1ccc(C(F)(F)C(F)F)cc1,-0.9575788974761963
+O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1,-1.5312154293060303
+Fc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nc2)cc1,-1.062136173248291
+Cc1ccc([C@@H]2C[C@@H](NC(=O)c3ccccc3C)CCO2)cc1,-1.2055329084396362
+O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2)CC1,-1.0931644439697266
+O=C(Cc1ccc(Br)cc1)NCc1nc2ccccc2[nH]1,-1.080250859260559
+C[C@]1(NC(=O)c2ccc(F)cc2)CC[C@@H]1c1ccccc1,-1.241580843925476
+Cc1nnc(NC(=O)OCCC2CCOCC2)s1,-1.577872395515442
+Cc1nsc(N2CC[C@@H](NC(=O)c3cccc(F)c3)C2)n1,-0.8122357130050659
+O=C(c1ccc(O)nc1O)N1CCN(Cc2ccccc2)CC1,-1.1458476781845093
+Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1,-1.1053465604782104
+CCC[C@H]1CNC(=O)[C@H]1NC(=O)c1ccc(C)c(C)c1,-1.0755455493927002
+Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1,-1.200417160987854
+Cc1ccc(C(=O)Nc2ccn(-c3ccc(O)cc3)n2)s1,-1.130824327468872
+Cc1ccc(N=C(O)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1,-1.3565926551818848
+Nc1ccc(C(=O)CNC(=O)CC2CCCCC2)cc1,-1.5932599306106567
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1,-0.9906277656555176
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1F,-1.1992286443710327
+Cc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1,-1.0354316234588623
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.0197726488113403
+Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1,-1.160413384437561
+C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(F)cc1F,-0.9777328372001648
+C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC1,-1.0075011253356934
+O=C(Nc1ccccc1Br)c1cc(-c2ccc(Cl)cc2)ccn1,-0.7797822952270508
+c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)no2)cc1,-1.245306134223938
+CC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1,-1.4225353002548218
+Cc1cccc(N2CCC(NC(=O)c3ccccc3C)CC2)c1,-1.1017228364944458
+Fc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1,-1.2248400449752808
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,-1.163614273071289
+COc1ccc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1,-1.1175963878631592
+C[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,-1.280677080154419
+O=C(Nc1ccc(Br)cc1)N1CCCN(c2ccccc2)CC1,-1.1836272478103638
+Cc1nc2cc(CNC(=O)c3ccc(O)cc3)ccc2o1,-1.194037675857544
+Oc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1,-1.0316108465194702
+Cc1cnc(NC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,-0.9924490451812744
+O=C(Nc1ccc(F)cc1)c1ccccc1,-1.6999067068099976
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1,-1.0901131629943848
+C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[NH+](C)C1,-1.2393630743026733
+Cc1ccc(OCC(O)=NCCC(O)=NCCc2ccccc2)cc1,-1.5271601676940918
+Cc1cc(Cl)ccc1C(=O)Nc1cccc(-c2ccccc2)c1,-1.0345526933670044
+C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)C1,-0.9665108323097229
+O=C(N[C@H]1CCC(F)(F)C1)c1cc(-c2ccccc2)on1,-1.238996148109436
+O=C(Nc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1,-0.712571382522583
+O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Br)cc1,-0.9212721586227417
+Cc1ccc2oc(CNC(=O)c3ccc(F)cc3)nc2c1,-1.0780285596847534
+Fc1ccc(CNC2CCN(c3ccc(F)cc3)CC2)cc1,-1.1479281187057495
+C[C@@H]1CCCC[NH+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,-0.8704636096954346
+Nc1ccc(CNC(=O)N2CCC3(CCCCC3)C2)cc1,-1.5309247970581055
+COc1ccc(CCNCc2ccc(F)cc2)cc1,-1.658443808555603
+CC1(C)CC(C(=O)NC2CCN(c3ccccc3)CC2)C1,-1.387673020362854
+C[C@@H]1CN(C(=O)Nc2ccn(C3CCCC3)n2)C[C@@H](C)O1,-1.2550740242004395
+O=C(c1cccnc1Br)N1CCN(Cc2ccc(O)cc2)CC1,-0.9090207815170288
+O=C(CCc1ccc(O)cc1)NCCc1ccc(F)cc1,-1.591699242591858
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1,-1.0792855024337769
+Cc1cc(O)ccc1CNCCc1ccccc1F,-1.4489625692367554
+C=C1CCN(Cc2ccccc2)CCN(Cc2ccccc2)C1,-1.4921139478683472
+Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1501809358596802
+O=C(Nc1ccccc1F)N1CCC(c2ccc(Cl)cc2)CC1,-0.8970362544059753
+Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)c1,-1.2126134634017944
+O=C(NCc1ccc(Cl)c(F)c1)N1CC[NH+]2CCC[C@H]2C1,-0.8333035707473755
+Cc1ccc(-n2c(SCC(C)C)nnc2[C@@H]2CCCO2)cc1,-0.877495288848877
+O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(I)cc1,-1.011207938194275
+CC(C)(O)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,-1.59587562084198
+C[C@@H]1CN(c2ccc(NCc3ccccc3)cc2)C[C@H](C)O1,-1.5050451755523682
+C[C@@H](CNC(=O)c1cccc(Br)c1)Cc1cccc(Br)c1,-1.0981765985488892
+C[C@H]1Oc2ccccc2[C@H]1C(=O)NCc1ccccc1Br,-1.0334724187850952
+Cc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1,-0.8859817981719971
+Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H](C(C)(C)O)C1,-1.0251213312149048
+O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccccc2F)CC1,-1.123706340789795
+O=C1C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CCN1,-1.3537336587905884
+CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1,-1.1304965019226074
+Oc1cc(NCc2ccc(Br)cc2)nc(-c2ccccc2)n1,-1.0054597854614258
+O=C(Nc1ccc(F)cc1F)N1CC[NH+](C2CCCCC2)CC1,-0.8138424754142761
+CC(C)[NH+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1,-1.2891215085983276
+O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1,-1.0109269618988037
+O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl,-0.7867758870124817
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,-0.8441473245620728
+CCCNc1ccc(C[NH+]2CCc3c(C)nn(C)c3C2)cc1,-0.8189023733139038
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl,-0.9652068614959717
+Cc1ccc(C[NH+]2CCN(Cc3ccc(N)cc3)CC2)cc1,-1.4099079370498657
+O=C(NC[C@@H](O)Cc1ccc(Br)cc1)c1cccc(F)c1,-1.27385413646698
+Cc1csc(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1,-1.1796647310256958
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,-0.8928456902503967
+Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C)CC2)cc1,-1.0303144454956055
+O=C1CN(C(=O)c2ccccc2)CCN1Cc1ccccc1,-1.4832682609558105
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1,-1.2107537984848022
+O=C(Nc1ccc(F)cc1F)C1CCN(c2ccccc2)CC1,-0.9587741494178772
+CC(C)N=C(O)CNC(=O)N1CCN(c2ccccc2)CC1,-1.3662874698638916
+CC(O)=Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,-0.8251639008522034
+Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)s1,-1.1084479093551636
+O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccs2)CC1,-1.0696699619293213
+Fc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1,-1.339424729347229
+O=C(NCc1ccccc1)N1CC[NH+](CCCO)CC1,-1.6771507263183594
+Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1,-1.5173062086105347
+Cn1cc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cn1,-1.0419979095458984
+O=C(COc1ccccc1)NCc1ccccc1,-1.7470523118972778
+Cc1ccccc1C1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1,-1.040565013885498
+CN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1,-1.342126488685608
+Cc1ccccc1C(=O)NC1CCN(c2ccc(Cl)cc2)CC1,-0.9501633048057556
+O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(c2ccc(Cl)cc2)CC1,-1.0555741786956787
+O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F,-0.7394270896911621
+CC(C)c1cccc(C(=O)NCc2cnns2)c1,-1.39089035987854
+C[C@H]1C[NH+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1,-1.2927485704421997
+O=C(NC1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,-0.8961197733879089
+O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1,-0.9447362422943115
+Cc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1Br,-0.6414949893951416
+CC1CC[NH+](CCNC(=O)c2ccc3c(c2)CCC3)CC1,-1.2522213459014893
+c1ccc(N2CCCC2CNCc2cccs2)cc1,-1.5871872901916504
+C[C@@H](CC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1,-1.2910423278808594
+Cc1cc(NC(=O)NCc2ccccc2)n(C)n1,-1.5951730012893677
+CC1CCCN(C(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)C1,-0.7819700837135315
+Cc1ccc(N)cc1C(=O)Nc1ccc(N2CCOCC2)cc1,-1.129591464996338
+C=C(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1,-1.2354934215545654
+Cc1cccc(NC(=O)N2CCN(c3ccccc3C)CC2)c1,-1.140479564666748
+Cc1nnc(N2CC[C@H](NC(=O)c3ccc(F)cc3)C2)s1,-0.800453782081604
+Fc1ccc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1,-1.1946842670440674
+O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cn1,-0.9004092812538147
+CC(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1,-1.566282033920288
+O=C(NCc1ccc(F)cc1)C(=O)c1ccc(Br)cc1,-1.225207805633545
+C[NH+]1CCC[C@H](C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)C1,-0.961787223815918
+Cc1ccc(C(=O)NCCc2ccc(Cl)c(Br)c2)c(C)c1,-0.7558948993682861
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1,-1.28329598903656
+Nc1ccc(NC(=O)[C@H]2CCCN(c3ccccc3Cl)C2)cc1,-0.9216579794883728
+O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1Br,-1.0925893783569336
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-1.0527042150497437
+C[C@H]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ccc(Cl)s2)C1,-0.8317483067512512
+Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c(F)c1,-1.1881359815597534
+O=C(c1cccc(O)c1)N1CCCN(Cc2ccccc2)CC1,-1.459795355796814
+Cn1nc2c(c1C(=O)NCC1(C)CCOCC1)CCCC2,-1.037974238395691
+CC1(C)CC(NC(=O)N2CCO[C@@H](c3ccccc3)C2)C1,-1.5256381034851074
+CC1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCO1,-1.4759163856506348
+COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,-1.087469220161438
+O=C(CSCc1ccccc1)NC1CCCCC1,-1.6774626970291138
+O=C(c1ccccc1)N1CC[NH+](Cc2ccc(=O)[nH]n2)CC1,-1.3334873914718628
+Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCCO3)CC2)c(F)c1,-1.109262466430664
+CC1(NCc2ccc(Cl)cc2)CCN(c2ccccc2)CC1,-1.4879432916641235
+Nc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1,-1.094826340675354
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3636152744293213
+O=C(Nc1ccc(O)cc1Cl)N1CC[NH+](C2CCCCC2)CC1,-0.9456996321678162
+Cc1ccc(-c2nnc(SCc3ccc(F)cc3)n2N)cc1,-0.8007311820983887
+CCN(C)c1ccc(NC(=O)[C@@H]2CCOC[C@H]2[NH3+])cc1,-1.4254189729690552
+c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)ccc2c1,-1.1405768394470215
+O=C(Cc1ccc(Cl)cc1)N1Cc2ccccc2C[C@@H]1c1ccccc1,-0.8015947341918945
+COc1ccc(CNC(=O)[C@H]2CC[C@@H](O)C2)cc1,-1.63163423538208
+CC(=O)C(=O)N1CCC(CNc2ccc(O)cc2)CC1,-1.5766873359680176
+CC1CN(C(=O)NC2CC(c3ccc(Cl)cc3)C2)CCN1,-0.9643051028251648
+Oc1cccc(-c2ccc(CNc3ccc(F)cc3)cn2)c1,-1.2212847471237183
+O=C(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2Br)CC1,-0.9439114332199097
+O=C(NC1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,-0.9698329567909241
+Cc1nc2c([nH]1)CC[NH+](CCCOCc1ccc(F)cc1)C2,-1.0398112535476685
+COc1ccccc1CNC(=O)c1ccc(N)s1,-1.4847934246063232
+C[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1-c1ccccc1,-1.1250618696212769
+Cc1ccc(OCCc2noc(-c3ccc(F)cc3)n2)cc1,-1.2478677034378052
+Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n[nH]1,-0.9634804725646973
+[NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0171557664871216
+CN1CCN(c2cccc(NCc3ccc(F)cc3)c2)CC1,-1.2589040994644165
+CC[NH+]1CC[C@@H](NC(=O)Nc2cccc(C)c2)C1,-1.6802995204925537
+Cc1ccccc1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1,-1.2230992317199707
+C[C@H](CC(=O)N1CCCCC1)C(=O)NCCc1ccccc1,-1.5768526792526245
+CN1CCC(NC2CCCN2C(=O)c2ccc(F)cc2)C1,-1.213526964187622
+Cc1[nH+]cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)o1,-1.1491960287094116
+O=S(=O)(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1cccc(Br)c1,-1.0565760135650635
+COc1ccc(CC(=O)NC2CC3(CC[NH2+]CC3)C2)cc1,-1.561508297920227
+C[C@@H]1C[C@@H](Nc2ccc(O)cc2)C[NH+](Cc2ccccc2)C1,-1.4876043796539307
+COc1cc(C(=O)N[C@@H]2CCC3(CCCC3)C2)ccc1Br,-1.1837564706802368
+Cc1c(O)cccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0582224130630493
+O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1,-1.3372832536697388
+COc1ccccc1C(=O)N1CCN(c2cccc(F)c2)CC1,-1.0552773475646973
+CCO[C@@H]1CCCCN1C(=O)Nc1cnn(C)c1,-1.5985286235809326
+C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(O)c2)C1,-1.5055809020996094
+Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1,-1.1559385061264038
+Cc1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1,-1.0855916738510132
+CC(=O)N1CCC[C@@H](NC(=O)c2ccc(N)c(F)c2)C1,-1.1113677024841309
+O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@H]1CC12CCCC2,-1.1377216577529907
+CCOc1ccc(NC(=O)C[NH+]2CCC[C@H](C)C2)cc1,-1.5861636400222778
+O=C(Nc1ccccc1)C(=O)Nc1ccc(F)c(F)c1,-1.3695181608200073
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2ccc(Br)cc2)cc1,-0.9042901396751404
+O=C(O)c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1,-1.5560338497161865
+O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1ccccc1,-0.9419435262680054
+COc1ccc(N2CCN(C(=O)c3ccc(N)nc3)CC2)cc1,-1.01923406124115
+O=C(NCc1ccccc1)Nc1cccc(F)c1,-1.660697102546692
+Nc1ccc(NC(=O)CCc2noc(-c3ccccc3)n2)cc1,-1.2601345777511597
+C[NH+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)C1,-1.197590708732605
+O=C(N[C@@H]1CCC[C@H]1c1ccccc1)C(=O)N1CCCCC1,-1.366855263710022
+O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCC2=O)CC1,-1.0041667222976685
+CCOc1ccc(NC(=O)N2CCC(N)C2)cc1,-1.6603519916534424
+Cc1cccc(N2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)c1,-0.5711573958396912
+CC1CN(Cc2cccc(Cl)c2)CCN1Cc1ccccc1,-1.2313992977142334
+COc1cc(O)ccc1NC(=O)CCc1ccc(F)cc1,-1.3720221519470215
+Cc1ccc(C(C)(C)CNC(=O)c2ccc(F)cc2)cc1,-1.3423898220062256
+Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)CC(=O)[O-])CC2)cc1,-1.3687283992767334
+O=C(NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1F,-0.9589165449142456
+CCCOc1ccc(NC(=O)c2ccncc2Br)cc1,-1.3877928256988525
+C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1,-1.3640896081924438
+Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1,-1.023019790649414
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1,-0.9439520239830017
+O=C(Cc1ccccc1F)Nc1ccc(N2CCCCC2)cc1,-1.366668701171875
+COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,-1.1341191530227661
+CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(C)cc2)C1,-1.354526400566101
+O=C1C[C@@H](NC(=O)c2cccc(-c3ccccc3)c2)CCO1,-1.4903281927108765
+Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1,-1.5446114540100098
+O=C(NCc1ccc(I)cc1)Nc1ccccc1,-1.5257033109664917
+O=C(C1CCCCCC1)N1CCN(Cc2ccc(Br)cc2)CC1,-1.1309062242507935
+Nc1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1,-1.3889203071594238
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.244335651397705
+Cc1cccc(NC(=O)C(O)=Nc2ccc(-c3ccccc3)cc2)c1,-1.1642111539840698
+C[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2)C1,-1.6736302375793457
+O=C(N[C@H]1C[C@H](c2cccc(Br)c2)C1)c1ccc(F)cc1,-1.1238350868225098
+Cc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,-1.2940235137939453
+O=C(c1ncccc1O)N1CCN(Cc2ccc(Br)cc2)CC1,-0.9311577677726746
+Cc1cnc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1,-1.1117730140686035
+CC(C)(C(=O)NCc1ccc(Br)cc1F)c1ccccc1,-1.0414135456085205
+O=C(c1ccc(F)cc1)N1CCC(C(O)c2ccccc2)CC1,-1.1258689165115356
+Cc1ccccc1C(=O)NC1CCN(c2cccc(F)c2)CC1,-1.0352145433425903
+C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,-1.091243028640747
+Cc1cc(F)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1,-1.0286134481430054
+O=C(c1ccccc1)N1CCNCC1,-1.7865626811981201
+C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1,-1.1090173721313477
+Cc1ccc(-c2ccccc2)c(NCc2ccc(F)cc2)c1,-1.236189365386963
+C[C@@H]1C[NH+](CCCNC(=O)c2ccc(F)cc2)C[C@H](C)O1,-1.4869461059570312
+CC[C@@H]1OCCC[C@H]1NC(=O)c1cc2c(cc1C#N)CCC2,-0.9053381085395813
+O=C1Cc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2N1,-1.0113874673843384
+Cc1nc(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)cc2)co1,-1.1877732276916504
+Fc1ccc(N2CCN(CCCOc3ccccc3Br)CC2)cc1,-1.097333312034607
+Cc1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cn1,-0.9201109409332275
+O=C(Oc1ccccc1)c1ccc(N2CCSCC2=O)cc1,-1.3207255601882935
+O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br,-0.8860718607902527
+C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1,-0.9955264329910278
+O=C(N[C@H]1CCCC[C@@H]1O)N1CCC[C@H](c2ccc(F)cc2)C1,-1.0312626361846924
+Cn1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)on2)n1,-1.1100448369979858
+Cc1ccc(CNc2cc(-c3ccccc3)nc(C)n2)cc1,-1.0563766956329346
+CC(C)(C(=O)NC[C@H]1CC12CCOCC2)c1ccccc1,-1.5299270153045654
+Cn1ccc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)n1,-0.7176036834716797
+Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(Br)cc2)cc1,-1.3598346710205078
+O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2cccnc2)CC1,-0.8731641173362732
+OC1(Cc2ccccc2)CC[NH+](Cc2ccc(F)cc2)CC1,-1.5364872217178345
+O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1c1ccccc1,-1.4943263530731201
+Cc1cc(O)ccc1OCc1nc(-c2ccc(Cl)cc2)no1,-1.0095354318618774
+Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1,-1.3412007093429565
+O=C(COc1ccc(F)cc1)Nc1nc2ccccc2s1,-1.159368634223938
+Cc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-1.0347133874893188
+Cc1ccc(C(=O)Nc2cccc(-c3ccccc3Cl)c2)cn1,-1.0362437963485718
+O=C(C1CCC[NH2+]CC1)N1CCCC[C@@H]1Cc1ccc(Br)cc1,-1.1411237716674805
+O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(F)c(Br)c2)C1,-0.9096311330795288
+CC1(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CCC1,-1.2404744625091553
+Cc1ccc(N2CCC(NC(=O)c3ccccc3O)CC2)cc1,-1.2763168811798096
+Cn1cc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)cn1,-1.1636700630187988
+COc1ccc(C(=O)N2CCC(c3ccc(C)cc3)CC2)cc1,-1.1006113290786743
+C[NH+]1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1,-1.5588253736495972
+N#Cc1ccc(-c2ccc(COC3CCCCCC3)cc2)cc1,-1.3861466646194458
+Cc1ccc(NC(=O)N2CCN(c3ccccc3)C[C@H]2C)cc1,-1.1550370454788208
+Cc1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1,-1.0742182731628418
+Cc1cc(Cl)ccc1C(=O)NC1CCC(c2ccccc2)CC1,-1.0443878173828125
+Cc1ccc(C[C@H](O)CNC(=O)c2ccc(F)cc2)cc1,-1.5498604774475098
+CC[NH+]1CCCC[C@H]1CNC(=O)c1cc(Cl)co1,-1.4399960041046143
+Cc1cccc(C(=O)N2CC[NH+](Cc3ncccc3C)CC2)c1,-1.038610577583313
+NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,-1.1372383832931519
+Nc1cc(F)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0814142227172852
+C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)C1,-1.0123560428619385
+C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccccc1-c1ccc(Cl)cc1,-1.0158883333206177
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1Cl,-1.0624324083328247
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1,-1.0042072534561157
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,-1.2514177560806274
+CC(C)Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1,-0.8247600793838501
+C[C@H]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C1,-1.309715986251831
+O=C(c1ccc(F)c2ccccc12)N1CCCC[C@H]1c1cccc(F)c1,-0.5579175353050232
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9611970782279968
+CC(C)c1ccc(CCC(=O)Nc2ccc([O-])cc2)cc1,-1.4568665027618408
+O=C(O)c1ccc(CNCC2CCCCC2)cc1,-1.6542270183563232
+Cc1cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]1,-1.0368245840072632
+Fc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl,-1.1200135946273804
+CC1CN(c2ccc(Cl)cc2)CCC1NCC1CCCCC1,-1.0716081857681274
+Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)no1,-1.1354535818099976
+Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,-1.058598518371582
+O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC12CCCC2,-1.36248779296875
+Cc1nc(CN2CCN(C(=O)c3ccc(C)s3)CC2)no1,-0.9762365818023682
+CC(C)(O)CNC(=O)N1CCC[C@@H](c2ccc(F)cc2)C1,-1.3631337881088257
+C[NH+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1,-0.9147422313690186
+O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(Cl)nc1,-0.864040195941925
+O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,-1.0700064897537231
+Nc1cc(Cl)ccc1C(=O)NC1CCN(c2ccccc2)CC1,-1.0191751718521118
+O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2F)CC1,-1.0766186714172363
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Br)c1,-1.0157924890518188
+CC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1,-0.997258722782135
+Cc1cc(NC(=O)N2CC[C@@H](C3CCC(C)CC3)C2)n[nH]1,-0.9947174787521362
+CCC1CCN(C(=O)C2CCN(c3ccc(Br)cc3)CC2)CC1,-0.8598593473434448
+CCc1cc(C(=O)NCc2cccc(Br)c2)no1,-1.4679709672927856
+Cc1nc(-c2ccc(NC(=O)c3ccc(C)s3)cc2)n[nH]1,-0.8948742151260376
+Nc1ccccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1,-0.9925404191017151
+O=C(c1ccc(F)cc1O)N1CC[NH+](CC2CCCCC2)CC1,-0.9762392044067383
+Cc1ccc(CNC(=O)c2cccc3nc(C)[nH]c23)cc1,-1.0654798746109009
+C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1,-1.135264277458191
+Cc1ccccc1C(=O)N1CCN(Cc2ccc(O)cc2)CC1,-1.2023762464523315
+O=C(NC1CCCCC1)c1ccc(Br)cc1N1CCCCCC1,-1.0225270986557007
+COc1ccc(NC(=O)[C@@H]2CCCN(C3CCOCC3)C2)cc1,-1.3950132131576538
+NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)s1,-1.0291868448257446
+Fc1ccc(C2CCCC2NCc2ccc(F)cc2Cl)cc1,-0.713516891002655
+O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F,-1.0368093252182007
+Cc1cc2ccc(CNC(=O)c3ccc(N)cc3)cc2o1,-1.1982362270355225
+Cc1nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2s1,-0.8919862508773804
+Cc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c(Cl)c1,-0.9748154282569885
+[O-]c1ccc(-c2ccc(NCc3ccc(Cl)cc3)cc2)cc1,-1.2440589666366577
+CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1,-1.3704948425292969
+CC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1,-1.4328941106796265
+O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1,-0.9784929156303406
+CCCNC(=O)COc1ccccc1,-1.869158148765564
+O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1,-1.1833690404891968
+O=C(NCc1ccc(O)cc1)c1ccc2c(c1)CCCN2,-1.2430411577224731
+Cc1nc2ccc(C(=O)NC[C@H]3CCC[NH+](C)C3)cc2o1,-1.1069949865341187
+O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(Br)cc1F,-0.9426845908164978
+Cc1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1C,-1.0202295780181885
+COc1ccc(N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1,-1.1956473588943481
+O=C(Cc1ccc(O)cc1)N[C@@H]1CC[NH+](C2CCCC2)C1,-1.521167516708374
+O=CNC[C@@H]1CCCCO1,-2.0064239501953125