smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(C2N=C(c3cccc(OC)c3)c3c(N)ncnc32)C1	26.157525	0.8103838	0-2
C=CC(=O)N1CCCC(C2N=C(c3cccc(OC)c3F)c3c(N)ncnc32)C1	27.825709	0.8120942	0-3
C=CC(=O)N1CCCC(C2N=C(c3ccccc3OC)c3c(N)ncnc32)C1	26.630689	0.8139024	0-8
C=CC(=O)N1CCCC(C2N=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	26.427239	0.80332047	0-7
C=CC(=O)N1CCCC(C2N=C(c3cccc(C)c3)c3c(N)ncnc32)C1	26.411190	0.8086658	0-6
C=CC(=O)N1CCCC(C2N=C(Cc3ccccn3)c3c(N)ncnc32)C1	29.585037	0.81102866	0-25
C=CC(=O)N1CCCC(C2N=C(CSc3ccccc3)c3c(N)ncnc32)C1	32.644230	0.64816827	0-30
C=CC(=O)N1CCCC(C2N=C(Cc3ccccc3)c3c(N)ncnc32)C1	28.597265	0.80447406	0-17
C=CC(=O)N1CCCC(C2N=C(c3ccc(CC)cc3)c3c(N)ncnc32)C1	33.128112	0.795139	0-41
C=CC(=O)N1CCCC(C2N=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	33.188443	0.807946	0-65
C=CC(=O)N1CCCC(C2N=C(COc3ccccc3OC)c3c(N)ncnc32)C1	28.653873	0.65927833	0-21
C=CC(=O)N1CCCC(C2N=C(Oc3cccc(OC)c3)c3c(N)ncnc32)C1	31.315663	0.8002331	0-27
C=CC(=O)N1CCCC(C2N=C(c3cccc(O)c3F)c3c(N)ncnc32)C1	38.182518	0.79508704	0-68
C=CC(=O)N1CCCC(C2N=C(C(=O)c3ccc(C)cc3)c3c(N)ncnc32)C1	33.008731	0.94251347	0-84
C=CC(=O)N1CCCC(C2N=C(c3c(Cl)cccc3OC)c3c(N)ncnc32)C1	34.453609	0.8094464	0-90
C=CC(=O)N1CCCC(C2N=C(C=C)c3c(N)ncnc32)C1	36.400139	0.81027466	0-82
C=CC(=O)N1CCCC(C2N=C(C(=O)c3ccc(OC)cc3)c3c(N)ncnc32)C1	32.242031	0.8112101	0-48
C=CC(=O)N1CCCC(C2N=C(c3cccc(SC)c3)c3c(N)ncnc32)C1	32.384489	0.7921903	0-53
C=CC(=O)N1CCCC(C2N=C(CC)c3c(N)ncnc32)C1	35.024514	0.8110552	0-59
C=CC(=O)N1CCCC(NC2N=C(c3ccc(OC)cc3)c3c(N)ncnc32)C1	31.362676	0.7991721	1-12
C=CC(=O)N1CCCC(NC2N=C(c3cccc(C(C)C)c3)c3c(N)ncnc32)C1	28.000201	0.7993655	1-4
C=CC(=O)N1CCCC(C2N=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	35.150040	0.9439387	0-50
C=CC(=O)N1CCCC(NC2N=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	36.179519	0.80067015	1-96
C=CC(=O)N1CCCC(NC2N=C(c3cccc(O)c3)c3c(N)ncnc32)C1	33.359598	0.79972434	1-63
C=CC(=O)N1CCCC(NC2N=C(c3ccc(N)cc3)c3c(N)ncnc32)C1	35.157079	0.80067486	1-81
C=CC(=O)N1CCCC(NC2N=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	34.885641	0.7991257	1-77
C=CC(=O)N1CCCC(NC2N=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	37.213257	0.8021175	1-97
C=CC(=O)N1CCCC(C2N=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	35.008534	0.6629654	0-98
C=CC(=O)N1CCCC(NC2N=C(c3ccc(OCC)cc3)c3c(N)ncnc32)C1	32.550121	0.9407778	1-54
C=CC(=O)N1CCC(C2N=C(c3ccc(C)cc3)c3c(N)ncnc32)CC1	30.440285	0.7978973	2-5
C=CC(=O)N1CCC(C2N=C(C)c3c(N)ncnc32)CC1	34.687525	0.7938455	2-34
C=CC(=O)N1CCC(C2N=C(CC)c3c(N)ncnc32)CC1	38.923797	0.8045598	2-59
C=CC(=O)N1CCCC(CC2N=C(CSc3ccccc3)c3c(N)ncnc32)C1	38.364282	0.65036345	4-30
C=CC(=O)N1CCCC(C2N=C(Cc3ccc(OC)cc3)c3c(N)ncnc32)C1	33.173644	0.8139597	0-64
C=CC(=O)N1CCCC(C2N=C(Oc3cccc(O)c3)c3c(N)ncnc32)C1	39.523628	0.8040412	0-76
C=CC(=O)N1CCCC(C2N=C(c3cccc(C)c3F)c3c(N)ncnc32)C1	38.440207	0.8092902	0-78
C=CC(=O)N1CCCC(CC2N=C(c3ccccc3)c3c(N)ncnc32)C1	27.432119	0.810814	4-0
C=CC(=O)N1CCCC(C2N=C(C(=O)Oc3ccc(C)cc3)c3c(N)ncnc32)C1	37.274429	0.8064961	0-89
C=CC(=O)N1CCCC(C2N=C(c3cccc(OC)c3Cl)c3c(N)ncnc32)C1	39.312915	0.8146041	0-99
C=CC(=O)N1CCCC(CC2N=C(CNc3ccccc3)c3c(N)ncnc32)C1	38.680784	0.6513542	4-36
C=CC(=O)N1CCCC(NC2N=C(c3ccc(CC)cc3)c3c(N)ncnc32)C1	32.557285	0.80064446	1-41
C=CC(=O)N1CCCC(NC2N=C(c3cccc(CC)c3)c3c(N)ncnc32)C1	33.963527	0.7988614	1-50
C=CC(=O)N1CCCC(CC2N=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	41.092152	0.809599	4-96
C=CC(=O)N1CCCC(OC2N=C(c3ccccc3)c3c(N)ncnc32)C1	31.689535	0.8009129	5-0
C=CC(=O)N1CCCC(NC2N=C(c3ccc(F)cc3)c3c(N)ncnc32)C1	39.143450	0.79817706	1-86
C=CC(=O)N1CCCC(NC2N=C(c3ccc(Cc4ccccc4)cc3)c3c(N)ncnc32)C1	42.411411	0.9419462	1-93
C=CC(=O)N1CCC(C2N=C(Oc3cccc(Cl)c3)c3c(N)ncnc32)CC1	36.072799	0.64929044	2-35
C=CC(=O)N1CCCC(CC2N=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	36.820482	0.80771476	4-97
C=CC(=O)N1CCCC(OC2N=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	33.245559	0.80051917	5-5
C=CC(=O)N1CCC(C2N=C(Cc3ccc(OC)cc3)c3c(N)ncnc32)CC1	35.371872	0.79936457	2-64
C=CC(=O)N1CCC(C2N=C(c3ccc(F)cc3)c3c(N)ncnc32)CC1	39.683991	0.81312245	2-86
C=CC(=O)N1CCC(C2N=C(c3ccc(Cc4ccccc4)cc3)c3c(N)ncnc32)CC1	35.965932	0.9374175	2-93
C=CC(=O)N1CCCC(OC2N=C(c3ccc(OCC)cc3)c3c(N)ncnc32)C1	39.474080	0.9435934	5-54
C=CC(=O)N1CCCC(COC2N=C(c3ccccc3)c3c(N)ncnc32)C1	34.314892	0.8135167	6-0
C=CC(=O)N1CCCC(COC2N=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	35.480058	0.93865114	6-5
C=CC(=O)N1CCCC(CC2N=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	35.907385	0.80909956	4-77
C=CC(=O)N1CCCC(CC2N=C(C)c3c(N)ncnc32)C1	32.725376	0.7971689	4-34
C=CC(=O)N1CCCC(COC2N=C(COc3ccccc3)c3c(N)ncnc32)C1	42.101021	0.8010729	6-15
C=CC(=O)N1CCCC(CC2N=C(C#CCOc3cccc(C)c3)c3c(N)ncnc32)C1	41.315870	0.9427226	4-42
C=CC(=O)N1CCCC(COC2N=C(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	47.452706	0.95209897	6-1
C=CC(=O)N1CCCC(COC2N=C(c3cccc(Cl)c3)c3c(N)ncnc32)C1	35.614344	0.8222577	6-7
C=CC(=O)N1CCCC(COC2N=C(C#CCc3ccccc3)c3c(N)ncnc32)C1	50.820983	0.79185826	6-38
C=CC(=O)N1CCCC(COC2N=C(C(C)C)c3c(N)ncnc32)C1	39.505933	0.8168853	6-39
C=CC(=O)N1CCCC(CC2N=C(C#Cc3ccccc3)c3c(N)ncnc32)C1	43.495050	0.8028693	4-94
C=CC(=O)N1CCCC(COC2N=C(c3ccc(N)cc3)c3c(N)ncnc32)C1	43.504359	0.8149448	6-81
C=CC(=O)N1CCCC(COC2N=C(c3ccc(F)cc3)c3c(N)ncnc32)C1	43.277293	0.81511086	6-86
C=CC(=O)N1CCCC(COC2N=C(c3ccc(Cl)cc3)c3c(N)ncnc32)C1	48.690276	0.93944114	6-96
C=CC(=O)N1CCCC(COC2N=C(c3cccc(C)c3F)c3c(N)ncnc32)C1	45.871732	0.8202	6-78
C=CC(=O)N1CCCC(COC2N=C(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	43.556872	0.8004539	6-98
C=CC(=O)N1CCCC(CC2N=C(c3ccc(C)cc3)c3c(N)ncnc32)C1	28.681993	0.80957633	4-5
C=CC(=O)N1CCCC(COC2N=C(C)c3c(N)ncnc32)C1	39.260987	0.8142426	6-34
C=CC(=O)N1CCCC(CC2N=C(c3ccc(F)cc3)c3c(N)ncnc32)C1	38.077362	0.8091285	4-86
C=CC(=O)N1CCCC(COC2N=C(CC)c3c(N)ncnc32)C1	41.809497	0.8135134	6-59
C=CC(=O)N1CCCC(COC2N=C(c3cccc(O)c3)c3c(N)ncnc32)C1	42.416907	0.8219663	6-63
C=CC(=O)N1CCCC(COC2N=C(c3cccc(O)c3F)c3c(N)ncnc32)C1	42.243422	0.8203707	6-68
C=CC(=O)N1CCCC(COC2N=C(C=C)c3c(N)ncnc32)C1	42.748696	0.81979394	6-82
C=CC(=O)N1CCCC(OC2N=C(COc3ccccc3)c3c(N)ncnc32)C1	38.498751	0.65534383	5-15
C=CC(=O)N1CCCC(OC2N=C(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	35.754406	0.8023062	5-20
C=CC(=O)N1CCCC(OC2N=C(COc3cccc(C)c3)c3c(N)ncnc32)C1	44.660637	0.80375093	5-29
C=CC(=O)N1CCCC(OC2N=C(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	39.983491	0.6538776	5-65
C=CC(=O)N1CCCC(OC2N=C(c3ccnc(OC)c3)c3c(N)ncnc32)C1	42.628397	0.8048377	5-97
C=CC(=O)N1CCCC(COC2N=C(c3cccc(C)c3)c3c(N)ncnc32)C1	35.653387	0.8091566	6-6
C=CC(=O)N1CCCC(COC2N=C(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	42.481540	0.9456374	6-58
C=CC(=O)N1CCCC(COC2N=C(c3ccccc3C)c3c(N)ncnc32)C1	42.813427	0.8114813	6-79
C=CC(=O)N1CCCC(COC2N=C(c3ccccn3)c3c(N)ncnc32)C1	46.424154	0.81480545	6-61
C=CC(=O)N1CCCC(COC2N=C(c3ccc(O)cc3)c3c(N)ncnc32)C1	43.219847	0.81965595	6-77
