smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(N2ON=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	40.500909	0.81095725	0-4
C=CC(=O)N1CCCC(N2ON=C(c3cccc(C)c3)c3c(N)ncnc32)C1	40.836574	0.80017614	0-3
C=CC(=O)N1CCCC(N2ON=C(Oc3ccccc3)c3c(N)ncnc32)C1	41.287371	0.8033533	0-6
C=CC(=O)N1CCCC(N2ON=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	40.869250	0.93564343	0-7
C=CC(=O)N1CCCC(N2ON=C(COc3ccccc3)c3c(N)ncnc32)C1	45.938366	0.65623844	0-9
C=CC(=O)N1CCCC(N2ON=C(Cc3ccccn3)c3c(N)ncnc32)C1	43.814238	0.8009011	0-11
C=CC(=O)N1CCCC(N2ON=C(COc3cccc(OC)c3)c3c(N)ncnc32)C1	44.666625	0.6570936	0-14
C=CC(=O)N1CCCC(N2ON=C(OCc3ccccn3)c3c(N)ncnc32)C1	48.427462	0.66323894	0-24
C=CC(=O)N1CCCC(N2ON=C(CSc3ccccc3)c3c(N)ncnc32)C1	49.814628	0.8047748	0-25
C=CC(=O)N1CCCC(N2ON=C(CNc3ccccc3)c3c(N)ncnc32)C1	52.457526	0.6636925	0-28
C=CC(=O)N1CCCC(N2ON=C(Nc3ccccc3)c3c(N)ncnc32)C1	47.754119	0.8016729	0-34
C=CC(=O)N1CCCC(N2ON=C(C#CCc3ccccc3)c3c(N)ncnc32)C1	53.111102	0.6503442	0-31
C=CC(=O)N1CCCC(N2ON=C(C3CCCO3)c3c(N)ncnc32)C1	58.508899	0.6726689	0-42
C=CC(=O)N1CCCC(N2ON=C(Oc3ccc(OCC)cc3)c3c(N)ncnc32)C1	47.938854	0.94645745	0-49
C=CC(=O)N1CCCC(N2ON=C(c3cccc(N)c3)c3c(N)ncnc32)C1	47.499354	0.80378014	0-50
C=CC(=O)N1CCCC(N2ON=C(C#CCNc3ccccc3)c3c(N)ncnc32)C1	57.268167	0.8129467	0-54
C=CC(=O)N1CCCC(N2ON=C(OCCc3ccccn3)c3c(N)ncnc32)C1	53.770372	0.8033551	0-45
C=CC(=O)N1CCCC(N2ON=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	49.970333	0.66441214	0-58
C=CC(=O)N1CCCC(N2ON=C(C(C)C)c3c(N)ncnc32)C1	47.213143	0.8233404	0-71
C=CC(=O)N1CCCC(N2ON=C(COc3ccc(O)cc3)c3c(N)ncnc32)C1	51.660713	0.80269283	0-67
C=CC(=O)N1CCCC(N2ON=C(c3cccc(NC)c3)c3c(N)ncnc32)C1	50.060299	0.8037634	0-70
C=CC(=O)N1CCCC(N2ON=C(CCc3ccccn3)c3c(N)ncnc32)C1	51.324120	0.6640052	0-66
C=CC(=O)N1CCCC(N2ON=C(C#Cc3ccccc3)c3c(N)ncnc32)C1	54.335857	0.93821365	0-76
C=CC(=O)N1CCCC(N2ON=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	52.242857	0.9369025	0-80
C=CC(=O)N1CCCC(N2ON=C(CCCOc3ccccc3)c3c(N)ncnc32)C1	58.042808	0.79394186	0-72
C=CC(=O)N1CCCC(N2ON=C(OCc3ccccc3OC)c3c(N)ncnc32)C1	56.223106	0.6478207	0-77
C=CC(=O)N1CCCC(N2ON=C(C#CCCc3ccccc3)c3c(N)ncnc32)C1	57.696047	0.8175308	0-82
C=CC(=O)N1CCCC(N2ON=C(Oc3ccc(OC)cc3)c3c(N)ncnc32)C1	47.966919	0.79995644	0-26
C=CC(=O)N1CCCC(N2ON=C(CC)c3c(N)ncnc32)C1	48.273261	0.81346416	0-93
C=CC(=O)N1CCCC(N2ON=C(c3ccc(SC)cc3)c3c(N)ncnc32)C1	54.545699	0.9479795	0-94
C=CC(=O)N1CCCC(N2ON=C(C#CCOc3ccccc3)c3c(N)ncnc32)C1	51.640421	0.8090117	0-30
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(OC)c3)c3c(N)ncnc32)C1	38.843494	0.8086573	1-1
C=CC(=O)N1CCCC(N2ON=C(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	48.385747	0.95732737	0-17
C=CC(=O)N1CCCC(NN2ON=C(Oc3ccc(C)cc3)c3c(N)ncnc32)C1	41.443824	0.7917136	1-10
C=CC(=O)N1CCCC(N2ON=C(CCc3ccccc3)c3c(N)ncnc32)C1	52.347170	0.78939915	0-22
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(OC)cc3)c3c(N)ncnc32)C1	39.992836	0.81340593	1-12
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	39.336781	0.8187423	1-4
C=CC(=O)N1CCCC(N2ON=C(c3ccccn3)c3c(N)ncnc32)C1	45.803737	0.8161818	0-33
C=CC(=O)N1CCCC(NN2ON=C(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	41.371072	0.8046475	1-15
C=CC(=O)N1CCCC(NN2ON=C(Oc3ccc(OC)cc3)c3c(N)ncnc32)C1	43.284572	0.8075018	1-26
C=CC(=O)N1CCCC(N2ON=C(Nc3ccc(OC)cc3)c3c(N)ncnc32)C1	53.267942	0.812203	0-41
C=CC(=O)N1CCCC(NN2ON=C(CSc3ccccc3)c3c(N)ncnc32)C1	44.952133	0.6625505	1-25
C=CC(=O)N1CCCC(NN2ON=C(C)c3c(N)ncnc32)C1	44.869382	0.8082863	1-37
C=CC(=O)N1CCCC(N2ON=C(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	47.669139	0.8109084	0-51
C=CC(=O)N1CCCC(NN2ON=C(C(=O)Oc3ccc(OC)cc3)c3c(N)ncnc32)C1	45.757846	0.8042802	1-44
C=CC(=O)N1CCCC(NN2ON=C(C3CCCCO3)c3c(N)ncnc32)C1	55.381727	0.67394	1-48
C=CC(=O)N1CCCC(N2ON=C(Oc3cccc(Cl)c3)c3c(N)ncnc32)C1	56.590858	0.671386	0-68
C=CC(=O)N1CCCC(N2ON=C(c3ccc(C(C)C)cc3)c3c(N)ncnc32)C1	50.964367	0.9383549	0-74
C=CC(=O)N1CCCC(NN2ON=C(C(=O)c3ccc(OCC)cc3)c3c(N)ncnc32)C1	51.547009	0.9448616	1-60
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(N)c3)c3c(N)ncnc32)C1	45.817768	0.8071675	1-50
C=CC(=O)N1CCCC(NN2ON=C(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	46.401774	0.8087325	1-57
C=CC(=O)N1CCCC(N2ON=C(C)c3c(N)ncnc32)C1	44.352599	0.80645096	0-37
C=CC(=O)N1CCCC(N2ON=C(COc3ccccc3C)c3c(N)ncnc32)C1	51.819857	0.7898741	0-83
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	47.816171	0.9471579	1-69
C=CC(=O)N1CCCC(NN2ON=C(C#Cc3ccccc3)c3c(N)ncnc32)C1	50.628290	0.93865293	1-76
C=CC(=O)N1CCCC(N2ON=C(Oc3cccc(OCC)c3)c3c(N)ncnc32)C1	48.066828	0.6648639	0-98
C=CC(=O)N1CCCC(NN2ON=C(OCc3ccccc3OC)c3c(N)ncnc32)C1	50.684851	0.654352	1-77
C=CC(=O)N1CCCC(NN2ON=C(Oc3ccc(C)c(Cl)c3)c3c(N)ncnc32)C1	47.590148	0.6481622	1-84
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(SC)c3)c3c(N)ncnc32)C1	45.420617	0.809616	1-89
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(C)c3)c3c(N)ncnc32)C1	39.228721	0.81160873	1-3
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	39.347329	0.93852824	1-7
C=CC(=O)N1CCCC(N2ON=C(CCCc3ccccc3)c3c(N)ncnc32)C1	58.205726	0.64529186	0-97
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(SC)cc3)c3c(N)ncnc32)C1	47.979569	0.9444271	1-94
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(OC)c3F)c3c(N)ncnc32)C1	43.895289	0.81121397	1-2
C=CC(=O)N1CCCC(NN2ON=C(COc3ccc(C)cc3)c3c(N)ncnc32)C1	40.569041	0.8094419	1-13
C=CC(=O)N1CCCC(NN2ON=C(c3ccccc3OC)c3c(N)ncnc32)C1	39.401909	0.8113249	1-8
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	43.057098	0.81019413	1-17
C=CC(=O)N1CCCC(NN2ON=C(Cc3ccccn3)c3c(N)ncnc32)C1	42.414492	0.8049387	1-11
C=CC(=O)N1CCCC(NN2ON=C(CNc3ccccc3)c3c(N)ncnc32)C1	45.574617	0.80380857	1-28
C=CC(=O)N1CCCC(NN2ON=C(c3ccccn3)c3c(N)ncnc32)C1	45.440527	0.8082258	1-33
C=CC(=O)N1CCCC(NN2ON=C(C=Cc3ccc(OC)cc3)c3c(N)ncnc32)C1	45.692997	0.8069688	1-47
C=CC(=O)N1CCCC(NN2ON=C(C(=O)c3ccc(OC)cc3)c3c(N)ncnc32)C1	45.751472	0.80251455	1-43
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	47.409056	0.94434	1-51
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(O)c3)c3c(N)ncnc32)C1	46.034916	0.8152268	1-53
C=CC(=O)N1CCCC(NN2ON=C(c3cccc(NC)c3)c3c(N)ncnc32)C1	46.886841	0.80857545	1-70
C=CC(=O)N1CCCC(NN2ON=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	46.431225	0.8108403	1-58
C=CC(=O)N1CCCC(NN2ON=C(COc3ccccc3C)c3c(N)ncnc32)C1	50.169472	0.6532366	1-83
C=CC(=O)N1CCCC(NN2ON=C(Sc3ccc(OC)cc3)c3c(N)ncnc32)C1	46.627415	0.8042607	1-92
C=CC(=O)N1CCCC(NN2ON=C(c3ccccc3C)c3c(N)ncnc32)C1	47.599640	0.8122508	1-79
C=CC(=O)N1CCC(N2ON=C(c3ccccc3)c3c(N)ncnc32)CC1	37.265833	0.79500574	2-0
C=CC(=O)N1CCCC(NN2ON=C(c3c(Cl)cccc3OC)c3c(N)ncnc32)C1	48.235899	0.8081897	1-88
C=CC(=O)N1CCC(N2ON=C(CSc3ccccc3)c3c(N)ncnc32)CC1	52.509427	0.78951246	2-25
C=CC(=O)N1CCC(N2ON=C(c3ccc(N)cc3)c3c(N)ncnc32)CC1	52.404153	0.7946452	2-62
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(N)cc3)c3c(N)ncnc32)C1	46.240594	0.81351095	1-62
C=CC(=O)N1CCC(N2ON=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)CC1	54.347316	0.7962599	2-58
C=CC(=O)N1CCC(N2ON=C(c3c(Cl)cccc3OC)c3c(N)ncnc32)CC1	55.487531	0.8130993	2-88
C=CC(=O)N1CCCC(N2ON=C(c3ccc(CC)cc3)c3c(N)ncnc32)C1	46.082096	0.94902825	0-46
C=CC(=O)N1CCCC(N2ON=C(COc3cccc(O)c3)c3c(N)ncnc32)C1	49.640277	0.6642606	0-55
C=CC(=O)N1CCC(N2ON=C(COc3ccccc3C)c3c(N)ncnc32)CC1	57.804973	0.65068686	2-83
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	40.810258	0.8092176	4-4
C=CC(=O)N1CCCC(CN2ON=C(Oc3ccc(C)cc3)c3c(N)ncnc32)C1	42.051224	0.8192914	4-10
C=CC(=O)N1CCCC(CN2ON=C(C#CCOc3ccc(OC)cc3)c3c(N)ncnc32)C1	43.529188	0.80005604	4-18
C=CC(=O)N1CCCC(CN2ON=C(Oc3ccccn3)c3c(N)ncnc32)C1	52.539678	0.8166365	4-40
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(CC)cc3)c3c(N)ncnc32)C1	46.901829	0.9361099	4-46
C=CC(=O)N1CCCC(CN2ON=C(Oc3ccc(OCC)cc3)c3c(N)ncnc32)C1	52.156895	0.81966925	4-49
C=CC(=O)N1CCCC(N2ON=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	46.257746	0.81974286	0-69
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	51.235561	0.9370283	4-80
C=CC(=O)N1CCCC(CN2ON=C(COc3cccc(C)c3)c3c(N)ncnc32)C1	48.832684	0.6756536	4-73
C=CC(=O)N1CCCC(CN2ON=C(Oc3ccc(C)c(Cl)c3)c3c(N)ncnc32)C1	48.016271	0.7982242	4-84
C=CC(=O)N1CCCC(N2ON=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	50.027119	0.7983902	0-86
C=CC(=O)N1CCCC(N2ON=C(C#COc3ccccc3)c3c(N)ncnc32)C1	56.076473	0.9522245	0-91
C=CC(=O)N1CCCC(ON2ON=C(c3ccccc3)c3c(N)ncnc32)C1	42.969901	0.8096717	5-0
C=CC(=O)N1CCCC(N2ON=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	51.535757	0.79255027	0-95
C=CC(=O)N1CCCC(NN2ON=C(c3ccccc3)c3c(N)ncnc32)C1	37.216572	0.8158592	1-0
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	51.081308	0.8067692	5-4
C=CC(=O)N1CCCC(NN2ON=C(COc3ccccc3)c3c(N)ncnc32)C1	41.883978	0.80377626	1-9
C=CC(=O)N1CCCC(ON2ON=C(Oc3ccc(C)cc3)c3c(N)ncnc32)C1	67.895601	0.66057783	5-10
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(OC)c3F)c3c(N)ncnc32)C1	44.769155	0.81718665	4-2
C=CC(=O)N1CCCC(CN2ON=C(c3ccccc3OC)c3c(N)ncnc32)C1	40.950015	0.8091259	4-8
C=CC(=O)N1CCCC(ON2ON=C(CSc3ccccc3)c3c(N)ncnc32)C1	48.393513	0.8020565	5-25
C=CC(=O)N1CCCC(ON2ON=C(C#CCOc3ccccc3)c3c(N)ncnc32)C1	49.431388	0.94298303	5-30
C=CC(=O)N1CCCC(CN2ON=C(COc3ccc(C)cc3)c3c(N)ncnc32)C1	41.974261	0.8224022	4-13
C=CC(=O)N1CCCC(CN2ON=C(c3ccccn3)c3c(N)ncnc32)C1	49.227737	0.80676454	4-33
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(OCC)cc3)c3c(N)ncnc32)C1	46.680059	0.9373795	4-39
C=CC(=O)N1CCCC(NN2ON=C(COc3cccc(O)c3)c3c(N)ncnc32)C1	50.953178	0.80389035	1-55
C=CC(=O)N1CCCC(CN2ON=C(C(=O)c3ccc(OC)cc3)c3c(N)ncnc32)C1	46.863144	0.8100531	4-43
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	60.466816	0.8222182	5-61
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	46.267494	0.8178894	1-61
C=CC(=O)N1CCCC(ON2ON=C(C#CCOc3ccccc3OC)c3c(N)ncnc32)C1	58.528610	0.80415756	5-65
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(O)c3)c3c(N)ncnc32)C1	47.365534	0.8099459	4-53
C=CC(=O)N1CCCC(NN2ON=C(C(C)C)c3c(N)ncnc32)C1	48.242394	0.7981208	1-71
C=CC(=O)N1CCCC(CN2ON=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	47.642473	0.80921113	4-58
C=CC(=O)N1CCCC(ON2ON=C(COc3ccc(O)cc3)c3c(N)ncnc32)C1	59.123686	0.6664613	5-67
C=CC(=O)N1CCCC(ON2ON=C(COc3cccc(C)c3)c3c(N)ncnc32)C1	55.816853	0.8123276	5-73
C=CC(=O)N1CCCC(CN2ON=C(Oc3ccccc3OC)c3c(N)ncnc32)C1	47.828279	0.8138389	4-63
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	58.645576	0.9504584	5-80
C=CC(=O)N1CCCC(NN2ON=C(COc3cccc(C)c3)c3c(N)ncnc32)C1	46.880634	0.8127591	1-73
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	60.160630	0.81090665	5-86
C=CC(=O)N1CCCC(ON2ON=C(c3c(Cl)cccc3OC)c3c(N)ncnc32)C1	59.031021	0.8254247	5-88
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(SC)cc3)c3c(N)ncnc32)C1	66.312086	0.78916276	5-94
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(OC)c3)c3c(N)ncnc32)C1	40.345315	0.8064399	4-1
C=CC(=O)N1CCCC(ON2ON=C(CCCc3ccccc3)c3c(N)ncnc32)C1	54.657125	0.6592856	5-97
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	49.525328	0.94031566	1-80
C=CC(=O)N1CCCC(NN2ON=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	47.669664	0.8054901	1-86
C=CC(=O)N1CCCC(CN2ON=C(c3ccccc3C)c3c(N)ncnc32)C1	49.055081	0.80862504	4-79
C=CC(=O)N1CCCC(CN2ON=C(c3c(Cl)cccc3OC)c3c(N)ncnc32)C1	49.410328	0.8080941	4-88
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(SC)cc3)c3c(N)ncnc32)C1	49.636929	0.94465756	4-94
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(C)c3)c3c(N)ncnc32)C1	52.041743	0.8150455	5-3
C=CC(=O)N1CCCC(CON2ON=C(COc3ccccc3OC)c3c(N)ncnc32)C1	60.399231	0.80193776	6-23
C=CC(=O)N1CCCC(ON2ON=C(c3ccccc3OC)c3c(N)ncnc32)C1	56.077659	0.8135717	5-8
C=CC(=O)N1CCCC(ON2ON=C(COc3ccc(C)cc3)c3c(N)ncnc32)C1	53.707418	0.81394374	5-13
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(C)c3)c3c(N)ncnc32)C1	40.753492	0.7992366	4-3
C=CC(=O)N1CCCC(ON2ON=C(OCc3ccccn3)c3c(N)ncnc32)C1	48.355143	0.7958498	5-24
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	41.064776	0.8007898	4-7
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(OCC)cc3)c3c(N)ncnc32)C1	54.564625	0.80340165	5-39
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	47.574948	0.9431743	4-17
C=CC(=O)N1CCCC(CN2ON=C(CCc3ccccc3)c3c(N)ncnc32)C1	47.277987	0.79887664	4-22
C=CC(=O)N1CCCC(CN2ON=C(CNc3ccccc3)c3c(N)ncnc32)C1	48.555671	0.8012969	4-28
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(O)c3)c3c(N)ncnc32)C1	61.196783	0.8150276	5-53
C=CC(=O)N1CCCC(ON2ON=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	56.862517	0.80707467	5-58
C=CC(=O)N1CCCC(ON2ON=C(Oc3cccc(Cl)c3)c3c(N)ncnc32)C1	61.837032	0.6573943	5-68
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	48.841388	0.80462044	4-51
C=CC(=O)N1CCCC(ON2ON=C(c3ccccc3C)c3c(N)ncnc32)C1	61.653087	0.8091548	5-79
C=CC(=O)N1CCCC(ON2ON=C(COc3ccccc3C)c3c(N)ncnc32)C1	63.109590	0.7875006	5-83
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(N)cc3)c3c(N)ncnc32)C1	47.813347	0.8095433	4-62
C=CC(=O)N1CCCC(CN2ON=C(C(=O)Oc3cccc(OC)c3)c3c(N)ncnc32)C1	50.108305	0.66289896	4-56
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(SC)c3)c3c(N)ncnc32)C1	60.691358	0.8067885	5-89
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(OC)cc3)c3c(N)ncnc32)C1	41.538694	0.80073774	4-12
C=CC(=O)N1CCCC(CN2ON=C(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	42.501651	0.80422604	4-15
C=CC(=O)N1CCCC(CN2ON=C(COc3ccccc3C)c3c(N)ncnc32)C1	51.337759	0.65809286	4-83
C=CC(=O)N1CCCC(CN2ON=C(CCCc3ccccc3)c3c(N)ncnc32)C1	54.694741	0.6501511	4-97
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(OC)c3F)c3c(N)ncnc32)C1	50.323166	0.8242446	5-2
C=CC(=O)N1CCCC(ON2ON=C(Oc3ccccc3)c3c(N)ncnc32)C1	45.684628	0.8058774	5-6
C=CC(=O)N1CCCC(CN2ON=C(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	47.613662	0.9363152	4-57
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	47.753308	0.8074335	4-61
C=CC(=O)N1CCCC(ON2ON=C(CNc3ccccc3)c3c(N)ncnc32)C1	49.179067	0.6502595	5-28
C=CC(=O)N1CCCC(CN2ON=C(CCc3ccccn3)c3c(N)ncnc32)C1	52.522482	0.8047431	4-66
C=CC(=O)N1CCCC(ON2ON=C(c3ccccn3)c3c(N)ncnc32)C1	50.573714	0.8246402	5-33
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(NC)c3)c3c(N)ncnc32)C1	48.342865	0.79897666	4-70
C=CC(=O)N1CCCC(CN2ON=C(Nc3ccc(C)cc3)c3c(N)ncnc32)C1	50.149348	0.79509705	4-78
C=CC(=O)N1CCCC(ON2ON=C(C3CCCO3)c3c(N)ncnc32)C1	51.560778	0.6730194	5-42
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(Oc4ccccc4)c3)c3c(N)ncnc32)C1	53.142294	0.950825	4-81
C=CC(=O)N1CCCC(ON2ON=C(C3CCCCO3)c3c(N)ncnc32)C1	51.775996	0.668818	5-48
C=CC(=O)N1CCCC(CON2ON=C(COc3ccc(C)cc3)c3c(N)ncnc32)C1	53.560577	0.80705744	6-13
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	58.216733	0.94357246	5-51
C=CC(=O)N1CCCC(CON2ON=C(CCc3ccccc3)c3c(N)ncnc32)C1	60.939780	0.66826564	6-22
C=CC(=O)N1CCCC(ON2ON=C(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	65.830550	0.8027112	5-57
C=CC(=O)N1CCCC(CON2ON=C(CNc3ccccc3)c3c(N)ncnc32)C1	61.417036	0.7930408	6-28
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	58.769812	0.9376663	5-69
C=CC(=O)N1CCCC(CON2ON=C(c3ccccn3)c3c(N)ncnc32)C1	53.938780	0.80579376	6-33
C=CC(=O)N1CCCC(ON2ON=C(Oc3cccc(C)c3)c3c(N)ncnc32)C1	52.908117	0.6589192	5-16
C=CC(=O)N1CCCC(ON2ON=C(CCc3ccccc3)c3c(N)ncnc32)C1	48.325139	0.799005	5-22
C=CC(=O)N1CCCC(ON2ON=C(CC)c3c(N)ncnc32)C1	57.334211	0.8130587	5-93
C=CC(=O)N1CCCC(ON2ON=C(Oc3ccc(C)c(Cl)c3)c3c(N)ncnc32)C1	72.602881	0.94042075	5-84
C=CC(=O)N1CCCC(ON2ON=C(C#CCc3ccccc3)c3c(N)ncnc32)C1	49.580098	0.814534	5-31
C=CC(=O)N1CCCC(ON2ON=C(Oc3cccc(OC)c3)c3c(N)ncnc32)C1	53.089570	0.80186397	5-36
C=CC(=O)N1CCCC(CN2ON=C(c3ccccc3)c3c(N)ncnc32)C1	38.912579	0.8094944	4-0
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(C(C)C)c3)c3c(N)ncnc32)C1	40.915952	0.7981062	4-5
C=CC(=O)N1CCCC(ON2ON=C(C(=O)Oc3cccc(OC)c3)c3c(N)ncnc32)C1	52.343622	0.7963139	5-56
C=CC(=O)N1CCCC(CN2ON=C(COc3ccccc3)c3c(N)ncnc32)C1	43.935355	0.7973113	4-9
C=CC(=O)N1CCCC(CON2ON=C(C#CCSc3ccccc3)c3c(N)ncnc32)C1	64.328808	0.9466759	6-59
C=CC(=O)N1CCCC(CN2ON=C(Oc3cccc(C)c3)c3c(N)ncnc32)C1	43.935043	0.666837	4-16
C=CC(=O)N1CCCC(ON2ON=C(CCc3ccccn3)c3c(N)ncnc32)C1	52.974866	0.7983637	5-66
C=CC(=O)N1CCCC(CN2ON=C(C)c3c(N)ncnc32)C1	46.113414	0.80487156	4-37
C=CC(=O)N1CCCC(CON2ON=C(COc3ccc(O)cc3)c3c(N)ncnc32)C1	60.004813	0.8007889	6-67
C=CC(=O)N1CCCC(ON2ON=C(c3cc(F)ccc3OC)c3c(N)ncnc32)C1	60.639505	0.81404406	5-87
C=CC(=O)N1CCCC(CON2ON=C(OCc3ccccc3OC)c3c(N)ncnc32)C1	64.631977	0.791523	6-77
C=CC(=O)N1CCCC(CN2ON=C(C(=O)Oc3ccc(OC)cc3)c3c(N)ncnc32)C1	46.893841	0.79914665	4-44
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(N)c3)c3c(N)ncnc32)C1	47.236400	0.803778	4-50
C=CC(=O)N1CCCC(CN2ON=C(COc3cccc(O)c3)c3c(N)ncnc32)C1	50.568446	0.801347	4-55
C=CC(=O)N1CCCC(CN2ON=C(C(=O)c3ccc(OCC)cc3)c3c(N)ncnc32)C1	52.183280	0.9465659	4-60
C=CC(=O)N1CCCC(CON2ON=C(c3ccc(OC)cc3)c3c(N)ncnc32)C1	54.058638	0.78819966	6-12
C=CC(=O)N1CCCC(CON2ON=C(OCc3ccccn3)c3c(N)ncnc32)C1	56.485614	0.80023617	6-24
C=CC(=O)N1CCCC(CN2ON=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	48.915651	0.9415658	4-69
C=CC(=O)N1CCCC(CN2ON=C(C#Cc3ccccc3)c3c(N)ncnc32)C1	53.602304	0.92765087	4-76
C=CC(=O)N1CCCC(CON2ON=C(Oc3ccccc3OC)c3c(N)ncnc32)C1	63.372115	0.79774773	6-63
C=CC(=O)N1CCCC(CON2ON=C(Oc3cccc(Cl)c3)c3c(N)ncnc32)C1	64.341033	0.67072487	6-68
C=CC(=O)N1CCCC(CN2ON=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	49.204666	0.8119396	4-86
C=CC(=O)N1CCCC(CON2ON=C(Nc3ccc(C)cc3)c3c(N)ncnc32)C1	57.334431	0.80755395	6-78
C=CC(=O)N1CCCC(CON2ON=C(COc3cccc(C)c3)c3c(N)ncnc32)C1	60.115034	0.6551517	6-73
C=CC(=O)N1CCCC(CN2ON=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	49.789858	0.8080755	4-95
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	51.282383	0.9498012	5-7
C=CC(=O)N1CCCC(CON2ON=C(c3ccc(C(C)C)cc3)c3c(N)ncnc32)C1	59.360661	0.9444361	6-74
C=CC(=O)N1CCCC(CON2ON=C(COc3ccccc3C)c3c(N)ncnc32)C1	60.238246	0.79320997	6-83
C=CC(=O)N1CCCC(ON2ON=C(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	58.585331	0.6613156	5-15
C=CC(=O)N1CCCC(ON2ON=C(Oc3cccc(OC)c3F)c3c(N)ncnc32)C1	49.082741	0.65127033	5-19
C=CC(=O)N1CCCC(ON2ON=C(C)c3c(N)ncnc32)C1	51.945558	0.81009716	5-37
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(CC)cc3)c3c(N)ncnc32)C1	58.419223	0.796636	5-46
C=CC(=O)N1CCCC(ON2ON=C(Oc3ccccn3)c3c(N)ncnc32)C1	53.007316	0.80848885	5-40
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(N)cc3)c3c(N)ncnc32)C1	60.391854	0.8096331	5-62
C=CC(=O)N1CCCC(ON2ON=C(c3cccc(N)c3)c3c(N)ncnc32)C1	58.703498	0.82741	5-50
C=CC(=O)N1CCCC(ON2ON=C(C(C)C)c3c(N)ncnc32)C1	54.744367	0.81265545	5-71
C=CC(=O)N1CCCC(ON2ON=C(C#CCCOc3ccccc3)c3c(N)ncnc32)C1	52.659675	0.9418543	5-64
C=CC(=O)N1CCCC(ON2ON=C(C#Cc3ccccc3)c3c(N)ncnc32)C1	53.443447	0.9402228	5-76
C=CC(=O)N1CCCC(ON2ON=C(c3ccc(Oc4ccc(OC)cc4)cc3)c3c(N)ncnc32)C1	64.263531	0.6588039	5-85
C=CC(=O)N1CCCC(ON2ON=C(C#COc3ccccc3)c3c(N)ncnc32)C1	54.284519	0.9489604	5-91
C=CC(=O)N1CCCC(ON2ON=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	60.224983	0.8212724	5-95
C=CC(=O)N1CCCC(CON2ON=C(Oc3cccc(OC)c3F)c3c(N)ncnc32)C1	52.260139	0.8145324	6-19
C=CC(=O)N1CCCC(CON2ON=C(COc3cccc(OC)c3)c3c(N)ncnc32)C1	53.456670	0.80025876	6-14
C=CC(=O)N1CCCC(CON2ON=C(COc3ccccc3)c3c(N)ncnc32)C1	54.872905	0.7981232	6-9
