smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(OCC)cc2)C1	26.642281	0.952903	0-3
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cccc(C)c2)C1	26.332031	0.67502034	0-6
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(C)cc2)C1	26.820946	0.8080542	0-10
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2)C1	27.457269	0.8087254	0-12
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3C#CCOc2cccc(OC)c2)C1	30.843368	0.948903	0-15
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)c(Cl)c2)C1	30.896593	0.94516265	0-19
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(C(C)C)cc2)C1	29.136202	0.8090407	0-16
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(C(C)(C)CO)cc2)C1	32.065895	0.9451864	0-58
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cc(O)ccc2C)C1	37.110533	0.7932505	0-74
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)cc2)C1	34.910463	0.9434131	0-92
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3C#CCCc2ccccc2)C1	30.982788	0.66246	0-22
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cccc(Oc3ccccc3)c2)C1	32.735567	0.8014999	0-84
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cccc(SC)c2)C1	32.388792	0.7960927	0-70
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2Cl)C1	34.495963	0.800213	0-99
C=CC(=O)N1CCCC(Nn2ncc3c2c2ncnc(N)c2n3-c2c(Cl)cccc2Cl)C1	38.580358	0.7986637	1-71
C=CC(=O)N1CCCC(Nn2ncc3c2c2ncnc(N)c2n3C=CCCCCC)C1	38.090636	0.9456834	1-44
C=CC(=O)N1CCCC(n2ncc3c2c2ncnc(N)c2n3-c2ccc(C(C)(C)O)cc2)C1	33.630940	0.951207	0-97
C=CC(=O)N1CCCC(Nn2ncc3c2c2ncnc(N)c2n3-c2ccc(C)cc2)C1	32.626651	0.93577087	1-10
C=CC(=O)N1CCCC(Nn2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)c(Cl)c2)C1	35.945657	0.7958559	1-19
C=CC(=O)N1CCCC(Nn2ncc3c2c2ncnc(N)c2n3-c2ccccc2C)C1	37.691505	0.7972311	1-56
C=CC(=O)N1CCCC(Cn2ncc3c2c2ncnc(N)c2n3-c2ccc(F)c(C)c2)C1	34.372852	0.796298	4-52
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3-c2ccccc2OC)C1	38.610082	0.79500306	5-11
C=CC(=O)N1CCCC(Cn2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)cc2)C1	35.419022	0.8019638	4-92
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cccc(C)c2)C1	36.768684	0.80135375	6-6
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3-c2ccccc2)C1	38.771196	0.8022377	5-7
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2)C1	37.328911	0.8092061	6-12
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2)C1	37.433225	0.8012578	5-12
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C#CCCOc2ccccc2)C1	43.012555	0.94040406	6-26
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3C#CCOc2ccccc2)C1	43.809326	0.9443954	5-27
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3CCCOc2ccccc2)C1	43.507159	0.80559254	6-34
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C#CCOc2ccccc2)C1	43.598903	0.94964427	6-27
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cc(OC)ccc2Cl)C1	42.241941	0.8094748	6-47
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(F)c(C)c2)C1	43.060870	0.80424803	6-52
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3-c2ccc(F)c(C)c2)C1	43.540752	0.7906201	5-52
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(OC)c(Cl)c2)C1	42.343266	0.8026561	6-72
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccccc2C)C1	42.420724	0.796815	6-56
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(N)cc2)C1	43.883807	0.79960716	6-66
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)cc2)C1	44.895252	0.7972781	6-92
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccccc2)C1	38.399685	0.8094408	6-7
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccccc2OC)C1	38.589692	0.80505276	6-11
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C#CCCc2ccccc2)C1	42.761551	0.7960356	6-22
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C=CCCCCC)C1	44.369352	0.9406737	6-44
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(OCCCC)cc2)C1	44.142765	0.9328329	6-65
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cc(Cl)ccc2C)C1	43.539294	0.79440504	6-91
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C#CCOc2cccc(OC)c2)C1	43.692951	0.94485515	6-15
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C2CCCN(C(=O)CCCC)C2)C1	41.052455	0.8006058	6-35
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cc(O)ccc2C)C1	48.508081	0.79914135	6-74
C=CC(=O)N1CCCC(Cn2ncc3c2c2ncnc(N)c2n3-c2c(C)cccc2Cl)C1	35.440734	0.8019769	4-69
C=CC(=O)N1CCCC(On2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)c(Cl)c2)C1	40.759785	0.7912933	5-19
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3C#CCOc2ccc(OC)cc2)C1	42.072108	0.80334413	6-14
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(Cl)c(Cl)c2)C1	40.491890	0.7850054	6-19
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2ccc(OCCCCC)cc2)C1	45.037385	0.9420628	6-57
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3-c2cccc(Oc3ccccc3)c2)C1	43.352827	0.9323602	6-84
C=CC(=O)N1CCCC(COn2ncc3c2c2ncnc(N)c2n3CCCCCC)C1	43.555430	0.80121654	6-87
