smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	18.185518	0.80054843	0-0
C=CC(=O)N1CCCC(n2c(=O)n(-c3cccc(Cl)c3)c3c(N)ncnc32)C1	27.669701	0.8161165	0-9
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(C)cc3)c3c(N)ncnc32)C1	29.017126	0.9437174	0-11
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(N)cc3)c3c(N)ncnc32)C1	27.511457	0.81078815	0-30
C=CC(=O)N1CCCC(n2c(=O)n(Cc3ccccc3)c3c(N)ncnc32)C1	27.115761	0.8190185	0-15
C=CC(=O)N1CCCC(n2c(=O)n(CCc3ccccc3)c3c(N)ncnc32)C1	28.402359	0.791268	0-23
C=CC(=O)N1CCCC(n2c(=O)n(OCc3ccccc3)c3c(N)ncnc32)C1	30.431298	0.79089874	0-34
C=CC(=O)N1CCCC(n2c(=O)n(CSc3ccccc3)c3c(N)ncnc32)C1	32.552287	0.8028992	0-39
C=CC(=O)N1CCCC(n2c(=O)n(CCCOc3ccccc3)c3c(N)ncnc32)C1	28.815480	0.79942274	0-25
C=CC(=O)N1CCCC(n2c(=O)n(COc3cccc(Cl)c3)c3c(N)ncnc32)C1	29.585230	0.80627483	0-28
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccccc3)c3c(N)ncnc32)C1	28.585989	0.81912583	0-36
C=CC(=O)N1CCCC(n2c(=O)n(Cc3ccccn3)c3c(N)ncnc32)C1	33.457678	0.81887656	0-38
C=CC(=O)N1CCCC(n2c(=O)n(Oc3cccc(C)c3)c3c(N)ncnc32)C1	29.740568	0.80054593	0-48
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccsc3)c3c(N)ncnc32)C1	30.250491	0.81184626	0-56
C=CC(=O)N1CCCC(n2c(=O)n(C#CCOc3cccc(O)c3)c3c(N)ncnc32)C1	31.205470	0.95782566	0-58
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(CC)cc3)c3c(N)ncnc32)C1	30.236651	0.9410348	0-50
C=CC(=O)N1CCCC(n2c(=O)n(-c3cccc(C)c3)c3c(N)ncnc32)C1	29.024097	0.8154055	0-13
C=CC(=O)N1CCCC(n2c(=O)n(Nc3ccccc3)c3c(N)ncnc32)C1	31.639196	0.8087276	0-60
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccccc3OC)c3c(N)ncnc32)C1	27.665557	0.807822	0-22
C=CC(=O)N1CCCC(n2c(=O)n(COc3ccccc3)c3c(N)ncnc32)C1	29.560956	0.67326313	0-27
C=CC(=O)N1CCCC(n2c(=O)n(C#Cc3ccccc3)c3c(N)ncnc32)C1	29.169407	0.7950491	0-33
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Nc4ccccc4)cc3)c3c(N)ncnc32)C1	28.707778	0.95574474	0-35
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	33.579454	0.9469144	0-82
C=CC(=O)N1CCCC(n2c(=O)n(-c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	33.330873	0.94319445	0-78
C=CC(=O)N1CCCC(n2c(=O)n(-c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	36.986112	0.8154448	0-97
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(O)cc3)c3c(N)ncnc32)C1	27.999572	0.81854045	0-32
C=CC(=O)N1CCCC(n2c(=O)n(-c3cccc(O)c3)c3c(N)ncnc32)C1	28.767410	0.8119329	0-37
C=CC(=O)N1CCCC(n2c(=O)n(Oc3ccc(OC)cc3)c3c(N)ncnc32)C1	33.688829	0.8009312	0-92
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3ccc(C)cc3)c3c(N)ncnc32)C1	26.914181	0.93097544	1-11
C=CC(=O)N1CCCC(n2c(=O)n(OCCOc3ccccc3)c3c(N)ncnc32)C1	31.780484	0.80633515	0-45
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccoc3)c3c(N)ncnc32)C1	30.165936	0.8102744	0-53
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3cccc(Cl)c3)c3c(N)ncnc32)C1	27.286009	0.80172795	1-9
C=CC(=O)N1CCCC(n2c(=O)n(COc3cccc(C)c3)c3c(N)ncnc32)C1	30.013865	0.7981011	0-54
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(F)c(C)c3)c3c(N)ncnc32)C1	32.334386	0.8185062	0-63
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3ccc(N)cc3)c3c(N)ncnc32)C1	27.758138	0.80526114	1-30
C=CC(=O)N1CCCC(n2c(=O)n(C(C)c3ccccn3)c3c(N)ncnc32)C1	32.828457	0.6474352	0-77
C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(SCC)cc3)c3c(N)ncnc32)C1	33.381566	0.8106474	0-96
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3c(C)cccc3O)c3c(N)ncnc32)C1	31.858949	0.796406	1-72
C=CC(=O)N1CCCC(Nn2c(=O)n(C#CCOc3cccc(Cl)c3)c3c(N)ncnc32)C1	26.270322	0.94077855	1-20
C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(C)cc3)c3c(N)ncnc32)CC1	26.040689	0.8092674	2-11
C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1	26.714859	0.8082867	2-21
C=CC(=O)N1CCC(n2c(=O)n(-c3cccc(N)c3)c3c(N)ncnc32)CC1	28.636564	0.80428356	2-31
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3ccc(F)c(C)c3)c3c(N)ncnc32)C1	31.788922	0.80416876	1-63
C=CC(=O)N1CCC(n2c(=O)n(COc3cccc(C)c3)c3c(N)ncnc32)CC1	30.887706	0.80072856	2-54
C=CC(=O)N1CCC(n2c(=O)n(Nc3ccccc3)c3c(N)ncnc32)CC1	31.446890	0.80194044	2-60
C=CC(=O)N1CCCC(n2c(=O)n(-c3c(O)cccc3O)c3c(N)ncnc32)C1	29.824569	0.80409145	0-49
C=CC(=O)N1CCC(n2c(=O)n(-c3cccc(OC)c3)c3c(N)ncnc32)CC1	25.985528	0.8099009	2-10
C=CC(=O)N1CCC(n2c(=O)n(COc3ccccc3)c3c(N)ncnc32)CC1	27.819678	0.80291015	2-27
C=CC(=O)N1CCCC(n2c(=O)n(Cc3c(O)cccc3O)c3c(N)ncnc32)C1	32.500691	0.8042899	0-75
C=CC(=O)N1CCC(Nn2c(=O)n(-c3ccc(OCC)cc3)c3c(N)ncnc32)CC1	26.084014	0.7947373	3-1
C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(O)cc3)c3c(N)ncnc32)CC1	28.838024	0.80925333	2-32
C=CC(=O)N1CCC(n2c(=O)n(-c3cccc(O)c3)c3c(N)ncnc32)CC1	29.990532	0.80883527	2-37
C=CC(=O)N1CCCC(n2c(=O)n(-c3cc(Cl)ccc3O)c3c(N)ncnc32)C1	33.316050	0.9431098	0-93
C=CC(=O)N1CCC(Nn2c(=O)n(-c3ccc(C)cc3)c3c(N)ncnc32)CC1	26.527263	0.9372165	3-11
C=CC(=O)N1CCC(n2c(=O)n(-c3ccccc3O)c3c(N)ncnc32)CC1	30.748884	0.8066622	2-41
C=CC(=O)N1CCC(Nn2c(=O)n(-c3ccc(OC)cc3)c3c(N)ncnc32)CC1	27.300133	0.7946594	3-21
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3cccc(C)c3)c3c(N)ncnc32)C1	27.256372	0.8000462	1-13
C=CC(=O)N1CCC(n2c(=O)n(-c3cccc(Cl)c3)c3c(N)ncnc32)CC1	25.920152	0.80848193	2-9
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	33.618314	0.9360699	1-82
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	35.313225	0.80713904	1-97
C=CC(=O)N1CCC(n2c(=O)n(-c3cccc(C)c3)c3c(N)ncnc32)CC1	26.108280	0.7976465	2-13
C=CC(=O)N1CCC(Nn2c(=O)n(C#Cc3ccccc3)c3c(N)ncnc32)CC1	28.701225	0.7927634	3-33
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccc(C)cc3)c3c(N)ncnc32)C1	29.401234	0.79650694	4-11
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccsc3)c3c(N)ncnc32)C1	32.284634	0.8066443	4-56
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3cccc(OC)c3)c3c(N)ncnc32)C1	28.680730	0.80356693	4-10
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3cccc(Cl)c3)c3c(N)ncnc32)C1	28.876650	0.7977902	4-9
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3cccc(O)c3)c3c(N)ncnc32)C1	30.514016	0.8035205	4-37
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccccc3O)c3c(N)ncnc32)C1	30.994472	0.8038645	4-41
C=CC(=O)N1CCC(n2c(=O)n(COc3ccc(O)cc3)c3c(N)ncnc32)CC1	30.903859	0.64998126	2-51
C=CC(=O)N1CCCC(Cn2c(=O)n(C#Cc3ccccc3)c3c(N)ncnc32)C1	30.767880	0.8018341	4-33
C=CC(=O)N1CCCC(On2c(=O)n(-c3cccc(Cl)c3)c3c(N)ncnc32)C1	33.315857	0.8033078	5-9
C=CC(=O)N1CCC(n2c(=O)n(-c3cc(Cl)ccc3O)c3c(N)ncnc32)CC1	33.949587	0.80829984	2-93
C=CC(=O)N1CCCC(On2c(=O)n(COc3cccc(C)c3)c3c(N)ncnc32)C1	36.680588	0.80385315	5-54
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(-c4ccccc4)cc3)c3c(N)ncnc32)C1	38.518065	0.94550115	5-66
C=CC(=O)N1CCCC(On2c(=O)n(C#CCc3ccccc3)c3c(N)ncnc32)C1	32.090190	0.64282596	5-3
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(N)cc3)c3c(N)ncnc32)C1	34.578464	0.79610324	5-30
C=CC(=O)N1CCC(Nn2c(=O)n(-c3ccoc3)c3c(N)ncnc32)CC1	30.880864	0.8168672	3-53
C=CC(=O)N1CCCC(On2c(=O)n(COc3ccc(O)cc3)c3c(N)ncnc32)C1	36.623838	0.80518955	5-51
C=CC(=O)N1CCCC(COn2c(=O)n(-c3ccccc3)c3c(N)ncnc32)C1	37.646372	0.81377655	6-36
C=CC(=O)N1CCCC(COn2c(=O)n(C(C)c3ccccc3)c3c(N)ncnc32)C1	37.535941	0.82327807	6-40
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3cccc(C)c3)c3c(N)ncnc32)C1	29.798588	0.7983343	4-13
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(OC#Cc4ccccc4)cc3)c3c(N)ncnc32)C1	39.972610	0.80605125	5-88
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccccc3N)c3c(N)ncnc32)C1	31.277379	0.80007184	4-43
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3c(O)cccc3O)c3c(N)ncnc32)C1	32.353304	0.80598295	4-49
C=CC(=O)N1CCCC(Nn2c(=O)n(-c3cc(Cl)ccc3O)c3c(N)ncnc32)C1	33.478900	0.8067483	1-93
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccc(F)c(C)c3)c3c(N)ncnc32)C1	33.891821	0.7911311	4-63
C=CC(=O)N1CCC(n2c(=O)n(-c3ccccc3)c3c(N)ncnc32)CC1	29.605841	0.80815214	2-36
C=CC(=O)N1CCCC(On2c(=O)n(-c3cccc(C)c3)c3c(N)ncnc32)C1	34.967708	0.8024141	5-13
C=CC(=O)N1CCCC(On2c(=O)n(C#CCOc3ccccc3)c3c(N)ncnc32)C1	32.893339	0.9512967	5-8
C=CC(=O)N1CCC(n2c(=O)n(Oc3cccc(C)c3)c3c(N)ncnc32)CC1	28.946568	0.6463334	2-48
C=CC(=O)N1CCCC(On2c(=O)n(-c3cccc(OC)c3)c3c(N)ncnc32)C1	33.743304	0.80652446	5-10
C=CC(=O)N1CCCC(On2c(=O)n(C#Cc3ccccc3)c3c(N)ncnc32)C1	35.379969	0.7946393	5-33
C=CC(=O)N1CCCC(On2c(=O)n(C#CCOc3cccc(Cl)c3)c3c(N)ncnc32)C1	32.953470	0.94528854	5-20
C=CC(=O)N1CCCC(On2c(=O)n(COc3ccccc3)c3c(N)ncnc32)C1	35.167724	0.80415446	5-27
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(O)cc3)c3c(N)ncnc32)C1	35.017935	0.80000305	5-32
C=CC(=O)N1CCCC(On2c(=O)n(-c3cccc(O)c3)c3c(N)ncnc32)C1	35.962447	0.8051016	5-37
C=CC(=O)N1CCCC(On2c(=O)n(C=Cc3ccccc3)c3c(N)ncnc32)C1	39.867934	0.7959874	5-83
C=CC(=O)N1CCC(Nn2c(=O)n(-c3cccc(CC)c3)c3c(N)ncnc32)CC1	31.086121	0.7991741	3-55
C=CC(=O)N1CCCC(COn2c(=O)n(-c3ccoc3)c3c(N)ncnc32)C1	38.325086	0.8319042	6-53
C=CC(=O)N1CCCC(COn2c(=O)n(-c3cnn(CCOCC)c3)c3c(N)ncnc32)C1	40.035515	0.79877883	6-71
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccccc3O)c3c(N)ncnc32)C1	36.356098	0.8040908	5-41
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccoc3)c3c(N)ncnc32)C1	36.800593	0.7991813	5-53
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3ccc(CC)cc3)c3c(N)ncnc32)C1	31.342425	0.9413767	4-50
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccsc3)c3c(N)ncnc32)C1	37.386327	0.8045613	5-56
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	39.167286	0.80582243	5-82
C=CC(=O)N1CCCC(Cn2c(=O)n(-c3cc(Cl)ccc3O)c3c(N)ncnc32)C1	35.437328	0.80154735	4-93
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(OC)cc3)c3c(N)ncnc32)C1	33.830591	0.80001175	5-21
C=CC(=O)N1CCCC(On2c(=O)n(CCc3ccccc3)c3c(N)ncnc32)C1	34.639336	0.64418095	5-23
C=CC(=O)N1CCCC(COn2c(=O)n(-c3cccc(N)c3)c3c(N)ncnc32)C1	36.202451	0.81155753	6-31
C=CC(=O)N1CCCC(On2c(=O)n(-c3ccc(CC)cc3)c3c(N)ncnc32)C1	36.856800	0.93864083	5-50
C=CC(=O)N1CCCC(COn2c(=O)n(-c3ccc(F)c(C)c3)c3c(N)ncnc32)C1	40.075194	0.80658793	6-63
C=CC(=O)N1CCCC(COn2c(=O)n(-c3ccc(OCc4ccccc4)cc3)c3c(N)ncnc32)C1	39.604855	0.8040547	6-65
C=CC(=O)N1CCCC(COn2c(=O)n(-c3c(C)cccc3O)c3c(N)ncnc32)C1	40.196749	0.8144583	6-72
C=CC(=O)N1CCCC(On2c(=O)n(C=CCc3ccccc3)c3c(N)ncnc32)C1	39.537459	0.7988392	5-89
C=CC(=O)N1CCCC(COn2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	26.620931	0.94158816	6-0
