R-SIM

LIST OF SMALL MOLECULES (WITH THEIR PROPERTIES)

Molecule ID	Molecule name	LogP	MW (Da)	HBA	HBD	NRB	TPSA	Benzene count	QED	SAS	PubChem CID
Target_lig_0	Spermine	-0.36	202.22	4	4	11	76.1	0	0.35	2.18	1103
Target_lig_1	Homidium bromide	1.14	393.08	2	2	2	55.92	4	0.3	2.62	14710
Target_lig_10	sisomicin	-3.85	447.27	12	8	6	213.72	0	0.2	5.29	5224
Target_lig_100	2-N,2-N-dimethylquinoline-2,4-diamine	1.88	187.11	3	1	1	42.15	2	0.74	2.1	646689
Target_lig_1000	Compound 3bb	1.18	693.32	15	6	21	255.46	2	0.06	4.55	-
Target_lig_1001	Compound 3cb	0.12	563.22	11	6	13	226.5	2	0.06	4.1	-
Target_lig_1002	Compound 3db	-0.97	749.33	15	8	21	332.22	2	0.03	4.76	-
Target_lig_1003	Compound 3aa	1.2	535.21	11	5	13	188.12	2	0.14	3.98	-
Target_lig_1004	Compound 3ba	1.18	693.32	15	6	21	255.46	2	0.06	4.55	-
Target_lig_1005	Mitoxantrone_analog_1	0.71	446.17	10	6	12	157.58	2	0.17	2.81	72750
Target_lig_1006	Mitoxantrone_analog_2	-0.21	442.23	10	8	12	174.76	2	0.14	2.88	438708
Target_lig_1007	Mitoxantrone_analog_3	0.45	412.21	8	6	12	122.72	2	0.24	2.57	2134
Target_lig_1008	miR-21 binder compound 1	4.86	553.3	7	3	12	123.8	4	0.13	2.83	-
Target_lig_1009	miR-21 binder compound 2	8.44	1594.88	21	6	42	344.76	10	0.02	5.47	-
Target_lig_101	N-methylquinolin-2-amine	2.28	158.08	2	1	1	24.92	2	0.69	1.73	12548157
Target_lig_1010	miR-21 binder compound 5	24.91	3192.25	46	14	75	650.62	18	0	8.94	-
Target_lig_1011	Compound 2	16.09	1817.14	21	4	44	320.7	10	0.03	6.25	-
Target_lig_1012	ATMND-C2-NH2	1.93	230.15	4	2	3	63.83	2	0.85	2.52	102281241
Target_lig_1013	ATMND	2.14	187.11	3	1	0	51.8	2	0.69	2.43	9504004
Target_lig_1014	ATMND-C3-NH2	2.32	244.17	4	2	4	63.83	2	0.81	2.48	90734716
Target_lig_1015	ATMND-C4-NH2	2.71	258.18	4	2	5	63.83	2	0.81	2.45	-
Target_lig_1016	AMND-C2-NH2	1	188.11	4	2	3	63.83	2	0.75	2.27	-
Target_lig_1017	ADMND-C2-NH2	1.62	216.14	4	2	3	63.83	2	0.82	2.39	-
Target_lig_1018	CMBL-3aL	4.27	641.31	11	4	7	186.58	4	0.17	5.64	-
Target_lig_1019	DMA-135	-1.98	324.16	5	4	2	138.12	2	0.29	3.52	154573938
Target_lig_102	quinolin-2-amine	1.82	144.07	2	1	0	38.91	2	0.61	1.67	11379
Target_lig_1020	DMA-001	-2.42	258.09	5	4	2	135.75	1	0.34	3.52	-
Target_lig_1021	DMA-155	0.26	376.19	5	4	4	135.75	3	0.38	2.8	-
Target_lig_1022	SMB2	10.61	1202.75	15	3	27	206.28	7	0.04	4.64	-
Target_lig_1023	SMB3	10.9	1592.89	21	4	44	320.7	10	0.03	5.51	-
Target_lig_1024	SMC1	0.41	2037.51	50	18	41	817.75	13	0.02	7.81	-
Target_lig_1025	SMC2	7.19	2731	59	16	61	902.07	15	0.01	9.05	-
Target_lig_1026	SMC2-2	2.24	2682.34	48	24	69	865.69	11	0.02	9.08	-
Target_lig_1027	SMC3	0	0	0	0	0	0	0	0.34	0	-
Target_lig_1028	Nafamostat	0	0	-	-	-	0	-	0	2.28	4413
Target_lig_1029	Abemaciclib	2.25	347.14	4	4	4	140.57	3	0.25	2.96	46220502
Target_lig_103	1,3-bis(piperidin-1-ylmethyl)imidazolidine-2-thione	1.78	296.2	3	0	4	12.96	0	0.73	2.66	272041
Target_lig_1030	Palbociclib	4.94	506.27	8	1	7	75	4	0.38	2.87	5330286
Target_lig_1031	Bisantrene	2.97	447.24	9	2	5	105.04	3	0.58	3.09	51323
Target_lig_1032	B1	1.76	398.2	8	4	4	97.56	3	0.31	2.4	294878
Target_lig_1033	B2	5.75	379.2	3	1	5	29.85	5	0.39	2.63	154479
Target_lig_1034	B3	2.43	336.16	6	2	4	69.87	4	0.56	2.31	341749
Target_lig_1035	B4	5.68	414.1	6	1	4	60.45	3	0.3	2.33	353136
Target_lig_1036	B5	2.26	352.19	5	1	5	66.71	3	0.72	2.51	296314
Target_lig_1037	B6	3.19	340.18	5	2	7	65.71	3	0.65	2.97	72035
Target_lig_1038	B7	4.43	362.22	2	2	5	43.14	4	0.52	2.84	344413
Target_lig_1039	B8	2.6	395.17	9	3	7	117.27	4	0.43	2.26	5794474
Target_lig_104	1,4-bis((1H-indol-3-yl)methyl)piperazine	3.97	344.2	2	2	4	38.06	4	0.59	2.05	412865
Target_lig_1040	B9	4.79	394.17	2	0	4	40.62	3	0.6	2.45	423074
Target_lig_1041	B10	3.31	418.15	6	3	5	106.94	3	0.43	2.72	235467
Target_lig_1042	B11	3.89	388.19	5	3	7	87.14	3	0.57	2.52	72737
Target_lig_1043	B12	1.95	464.24	8	2	8	83.14	2	0.52	1.87	238962
Target_lig_1044	AIZA analog 1	5.89	396.14	3	1	7	55.76	4	0.4	3.96	200
Target_lig_1045	AIZA analog 2	-2.71	338.06	9	6	5	203.38	1	0.31	0	-
Target_lig_1046	AIZA analog 5	0	0	-	-	-	0	-	0	3.71	266934
Target_lig_1047	AIZA analog 7	-2.82	258.1	8	5	3	156.85	1	0.39	2.46	91647460
Target_lig_1048	AIZA analog 8	-0.05	203.08	5	2	2	99.82	2	0.71	2.7	99795472
Target_lig_1049	AIZA analog 10	-0.51	209.13	5	3	2	98.96	1	0.61	2.63	129817592
Target_lig_105	2-((2,2,6,6-tetramethylpiperidin-4-ylamino)methyl)phenol	2.79	262.2	3	3	3	44.29	1	0.78	2.43	566707
Target_lig_1050	AIZA analog 12	-1.44	170.08	5	3	3	107.16	1	0.52	2.45	-
Target_lig_1051	AIZA analog 13	-0.05	203.08	5	2	2	99.82	2	0.71	2.44	86812191
Target_lig_1052	NRAS compound 1	-0.05	203.08	5	2	2	99.82	2	0.71	2.58	-
Target_lig_1053	NRAS SAR 1	5.49	511.31	8	1	9	83.21	4	0.3	2.55	53003045
Target_lig_1054	NRAS SAR 2	5.1	497.29	8	1	8	83.21	4	0.34	2.4	-
Target_lig_1055	NRAS SAR 3	4.73	401.13	7	1	6	89.87	5	0.44	2.3	46354948
Target_lig_1056	NRAS SAR 6	5.23	389.17	6	1	4	76.73	4	0.51	2.43	53012943
Target_lig_1057	NRAS SAR 7	5.29	405.16	7	1	9	76.73	4	0.38	2.32	53090522
Target_lig_1058	NRAS SAR 8	5.06	399.12	7	1	6	76.73	5	0.43	2.3	-
Target_lig_1059	NRAS SAR 10	5.73	427.12	6	0	4	67.94	5	0.36	2.54	53012965
Target_lig_106	2-(hydroxymethyl)-5-(5-phenyl-4-(quinolin-3-yl)-1H-imidazol-2-yl)phenol	3.53	385.09	4	3	4	81.5	1	0.69	6.51	-
Target_lig_1060	NRAS SAR 12	4.03	397.17	7	2	6	105.41	5	0.45	2.42	53012972
Target_lig_1061	NRAS SAR 14	3.4	416.2	8	1	6	89.2	4	0.51	2.55	53012974
Target_lig_1062	NRAS SAR 16	4.91	426.18	8	1	6	102.76	5	0.41	2.22	53012205
Target_lig_1063	NRAS SAR 17	4.65	371.17	6	0	3	67.94	4	0.52	2.5	-
Target_lig_1064	NRAS SAR 18	5	437.15	8	1	5	95.19	5	0.41	2.41	53012208
Target_lig_1065	NRAS SAR 24	3.96	486.15	8	2	7	136.89	5	0.35	2.32	53013007
Target_lig_1066	NRAS SAR 25	4.16	400.2	7	1	6	79.97	4	0.52	2.49	53013009
Target_lig_1067	Hit S1	5.52	476.23	7	1	7	79.97	5	0.31	3	72850674
Target_lig_1068	Hit S2	2.35	365.15	7	2	5	116.16	3	0.71	2.43	70709734
Target_lig_1069	Hit S3	0.17	303.18	7	3	8	110.75	2	0.6	3.57	56740857
Target_lig_107	2-nitro-5-(piperazin-1-yl)-N-(2-(o-tolyloxy)ethyl)aniline	2.8	356.18	6	2	7	79.67	2	0.45	2.24	3142696
Target_lig_1070	Hit S4	3.34	345.17	4	1	5	37.39	2	0.9	2.88	70709825
Target_lig_1071	Hit S5	2.54	292.15	4	1	2	47.08	2	0.93	2.55	56701304
Target_lig_1072	Hit S6	0.4	305.22	6	2	4	78.51	1	0.84	2.79	70750248
Target_lig_1073	Hit S7	-0.05	370.22	8	2	4	105.2	2	0.78	3.63	56701740
Target_lig_1074	Hit S8	3.5	290.24	3	2	5	37.2	1	0.87	2.14	2911987
Target_lig_1075	Hit S9	2.85	439.28	6	1	9	48.41	2	0.65	2.49	74235262
Target_lig_1076	Hit S11	2.02	313.11	8	2	6	102.5	3	0.67	2.31	22434177
Target_lig_1077	Hit S12	3.59	347.14	7	1	4	81.41	4	0.57	2.1	753517
Target_lig_1078	CD33 compound 1	2.71	316.18	6	2	4	79.96	2	0.9	3.41	-
Target_lig_1079	CD33 compound 2	3.95	444.21	6	1	4	75.42	4	0.52	3.2	123918287
Target_lig_108	3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholinomethyl)-4H-chromen-4-one	3.44	405.17	6	2	4	91.59	4	0.54	2.69	1130510
Target_lig_1080	CD33 compound 3	3.5	412.2	6	1	4	75.42	4	0.56	3.24	123332869
Target_lig_1081	CD33 compound 4	2.98	433.21	7	1	5	89.35	3	0.62	0	-
Target_lig_1082	CD33 compound 5	0	0	-	-	-	0	-	0	3.24	-
Target_lig_1083	CD33 compound 6	3.66	436.18	6	1	5	74.25	3	0.66	3.12	-
Target_lig_1084	CD33 compound 7	3.9	407.15	5	1	4	71.01	3	0.71	3.16	123336044
Target_lig_1085	CD33 compound 8	3.26	433.14	7	1	4	88.83	4	0.53	3.2	-
Target_lig_1086	CD33 compound 9	3.57	447.16	7	1	4	88.83	4	0.51	3.26	-
Target_lig_1087	CD33 compound 10	3.57	447.16	7	1	4	88.83	4	0.51	3.19	138544611
Target_lig_1088	Compound 4d	4.34	448.2	6	1	4	75.42	5	0.44	3.11	-
Target_lig_1089	Compound 3b	5.24	652.37	9	4	15	128.97	4	0.08	2.87	-
Target_lig_109	3-(3-(4-methylpiperazin-1-yl)propyl)-3H-pyrimido[5,4-b]indol-4(5H)-one	1.52	325.19	5	1	4	57.16	3	0.79	2.27	933200
Target_lig_1090	Compound 4a	1.84	431.29	8	3	11	99.87	2	0.36	4.21	-
Target_lig_1091	Compound 4c	4.5	650.32	9	6	17	163.62	3	0.07	4.28	-
Target_lig_1092	Curcumin	4.19	705.37	10	6	17	166.86	3	0.07	2.43	2889
Target_lig_1093	DMA-169	3.37	368.13	6	2	8	93.06	2	0.55	3.2	-
Target_lig_1094	DMA-176	0.33	415.2	6	5	6	156.9	3	0.29	3.14	-
Target_lig_1095	DMA-177	2	491.23	6	5	7	156.9	4	0.2	3.23	-
Target_lig_1096	DMA-178	1.49	465.21	6	5	6	156.9	4	0.21	3.23	-
Target_lig_1097	DMA-179	0.64	429.21	6	5	6	156.9	3	0.29	3.25	-
Target_lig_1098	DMA-180	0.47	433.19	6	5	6	156.9	3	0.28	2.94	-
Target_lig_1099	DMA-182	0.06	416.19	6	6	6	173.22	4	0.19	3.03	-
Target_lig_11	Lividomycin	-10.01	761.35	23	15	12	406.24	0	0.09	5.93	3940
Target_lig_110	3-(azepan-1-ylmethyl)-2-methylquinolin-4-ol	3.21	270.17	2	1	2	36.1	2	0.91	1.97	728816
Target_lig_1100	DMA-187	-0.77	380.19	7	5	7	162.36	3	0.2	2.92	-
Target_lig_1101	DMA-188	-1.81	398.24	7	5	6	151.02	2	0.28	2.88	-
Target_lig_1102	DMA-190	0.62	401.18	5	6	5	160.33	4	0.21	3.35	-
Target_lig_1103	DMA-191	-0.27	416.19	7	5	6	169.79	3	0.27	3.5	-
Target_lig_1104	DMA-192	-0.88	417.19	8	5	6	182.68	3	0.25	3.53	-
Target_lig_1105	DMA-193	1.26	575.27	9	7	10	210.5	5	0.09	3.62	-
Target_lig_1106	DMA-194	-0.18	540.27	11	6	11	212.53	4	0.08	3.46	-
Target_lig_1107	DMA-195	-0.28	486.25	9	5	7	185.92	3	0.22	3.51	-
Target_lig_1108	DMA-205	-0.15	578.28	11	5	8	202.05	4	0.14	2.78	-
Target_lig_1109	DMA-185	0.91	416.22	5	4	4	135.75	3	0.37	2.72	-
Target_lig_111	3-methyl-7-(2-(piperidin-1-yl)ethyl)-1H-purine-2,6(3H,7H)-dione	-0.09	277.15	6	1	3	75.92	2	0.85	2.38	659131
Target_lig_1110	5_episisomycin	-5.1	447.5	8	12	6	214	0	0	0	65453
Target_lig_1111	7-benzyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione	0.8	340.4	2	5	3	82.5	0	0	0	679638
Target_lig_1112	Ether paromomycin derivative 1	0	0	0	0	0	0	0	0	0	-
Target_lig_1113	Virginiamycin M	2.5	525.6	2	8	1	139	0	0	0	5459319
Target_lig_1114	Azepane aminoglycoside mimic 2	0	0	0	0	0	0	0	0	0	-
Target_lig_1115	benzimidazole_analog_rRNA_19	3.2	270.15	2	2	1	40.7	0	0	0	508378
Target_lig_1116	Paromomycin_mol_mol	-8.86	615.3	19	13	9	347.32	0	0.11	5.51	4689
Target_lig_1117	Tobramycin	-6.3	467.26	14	10	6	268.17	0	0.17	5.14	5496
Target_lig_1118	C1-PYT	-1.93	695.32	14	10	8	271.25	4	0.09	5.26	-
Target_lig_1119	C4-PYT	-1.49	723.35	15	10	11	271.25	4	0.05	5.37	-
Target_lig_112	4-(4,5-bis(azepan-1-ylmethyl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine	1.98	374.25	9	1	5	102.13	2	0.85	2.69	1915272
Target_lig_1120	ART	-7.87	639.36	17	14	13	381.9	0	0.04	5.7	-
Target_lig_1121	2,4,5,6-tetraaminopyrimidine	-1.19	140.08	6	4	0	129.86	1	0.36	2.64	70487
Target_lig_1122	2,4-diaminopyrimidine	-0.36	110.06	4	2	0	77.82	1	0.48	2.44	67431
Target_lig_1123	2,4,6-triamino-1,3,5-triazine	-1.38	126.07	6	3	0	116.73	1	0.39	2.33	7955
Target_lig_1124	Rbt427	2.5	375.21	5	5	12	109.18	2	0.22	2.5	9969740
Target_lig_1125	Rbt429	3.18	409.25	5	5	12	122.32	3	0.18	2.47	516514
Target_lig_1126	Rbt446	4.61	487.24	5	5	12	109.18	4	0.11	2.55	-
Target_lig_1127	Rbt489	4.73	411.23	5	2	12	50.52	3	0.42	2.38	516517
Target_lig_1128	Rbt537	4.78	423.23	5	3	10	59.31	3	0.41	2.54	142078131
Target_lig_1129	Rbt549	4.04	406.27	4	4	10	75.1	3	0.38	2.59	-
Target_lig_113	4-(4-chlorophenyl)-N-(2-(pyrrolidin-1-yl)ethyl)phthalazin-1-amine	4.46	352.15	4	1	5	41.05	3	0.74	2.06	1069155
Target_lig_1130	Rbt551	3.67	464.28	6	4	11	101.55	3	0.32	2.7	-
Target_lig_1131	Rbt552	2.96	368.26	5	3	10	72.2	2	0.56	2.4	-
Target_lig_1132	Rbt555	3.67	435.25	6	3	10	89.52	3	0.42	2.67	-
Target_lig_1133	Rbt556	4.11	418.27	5	3	10	72.2	3	0.43	2.43	-
Target_lig_1134	Rbt567	3.56	367.26	4	3	10	59.31	2	0.56	2.25	-
Target_lig_1135	Rbt603	6.75	527.21	6	2	10	36.53	5	0.2	2.68	-
Target_lig_1136	Rbt605	4.67	480.29	6	2	13	39.77	3	0.35	2.55	-
Target_lig_1137	B-11	-2.84	644.38	16	8	14	264.88	3	0.08	5.01	-
Target_lig_1138	B-13	-1.91	686.42	16	8	14	264.88	3	0.09	5.28	-
Target_lig_1139	B-14	-3.44	645.37	17	8	14	277.77	3	0.08	5.17	-
Target_lig_114	4,6-bis(piperidin-1-ylmethyl)-2-p-tolylpyridin-3-ol	4.73	379.26	4	1	5	39.6	2	0.81	2.31	1068918
Target_lig_1140	Benzimidazole1	1.57	218.15	4	1	4	47.08	2	0.85	2	761897
Target_lig_1141	Benzimidazole10	1.97	331.24	6	1	7	45.56	2	0.79	3.36	135433929
Target_lig_1142	Benzimidazole11	1.44	317.22	6	1	6	59.55	2	0.87	3.3	9948877
Target_lig_1143	Benzimidazole12	1.68	331.24	6	1	6	59.55	2	0.87	3.32	9996819
Target_lig_1144	Kitasamycin	2.12	699.42	13	4	8	173.68	0	0.21	6.21	-
Target_lig_1145	Josamycin	3.01	827.47	16	3	12	206.05	0	0.15	6.42	3804
Target_lig_1146	Rokitamycin	3.16	827.47	16	3	13	206.05	0	0.14	6.44	5091
Target_lig_1147	Quercetin	1.99	302.04	7	5	1	131.36	3	0.43	2.54	5280343
Target_lig_1148	Kaempferol	2.28	286.05	6	4	1	111.13	3	0.55	2.37	5280863
Target_lig_1149	T4MPyP	6.62	678.32	2	2	4	72.88	7	0.21	5.61	53633502
Target_lig_115	4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2-dihydroquinoline-3-carboxamide	1.84	329.17	4	3	5	85.43	2	0.73	2.1	54685835
Target_lig_1150	TMAP	7.09	848.52	0	4	8	63.16	8	0.12	5.67	101957940
Target_lig_1151	Tetramethylrosamine (TMR)	4.3	343.18	2	0	2	19.39	2	0.4	2.55	2762681
Target_lig_1152	Pyronin Y	-0.36	302.12	2	0	1	19.39	1	0.45	2.77	7085
Target_lig_1153	SAH	-1.44	384.12	11	5	7	182.63	2	0.35	3.99	193
Target_lig_1154	SAC	-1.83	370.11	11	5	6	182.63	2	0.39	3.99	3573837
Target_lig_1155	Compd 32	-6.33	466.28	14	10	6	273.96	0	0.17	5.22	-
Target_lig_1156	Compd 33	-8.54	627.34	19	13	9	358.9	0	0.11	5.74	-
Target_lig_1157	Compd 34	-8.54	627.34	19	13	9	358.9	0	0.11	5.71	-
Target_lig_1158	Compd 35	-6.33	466.28	14	10	6	273.96	0	0.17	5.21	60000851
Target_lig_1159	Compd 37	-8.51	628.33	19	13	9	353.11	0	0.11	5.64	-
Target_lig_116	6-methyl-3-((4-methyl-1,4-diazepan-1-yl)methyl)-4H-chromen-4-one	2.24	286.17	4	0	2	36.69	2	0.85	2.19	24015721
Target_lig_1160	Compd 38	-8.54	627.34	19	13	9	358.9	0	0.11	5.71	-
Target_lig_1161	Compd 39	-8.54	627.34	19	13	9	358.9	0	0.11	5.72	-
Target_lig_1162	Compd 41	-8.54	627.34	19	13	9	358.9	0	0.11	5.69	-
Target_lig_1163	Compd 36	-8.51	628.33	19	13	9	353.11	0	0.11	5.64	-
Target_lig_1164	cltc	0.28	478.11	9	6	2	181.62	1	0.33	4.35	54677440
Target_lig_1165	cmt1	0.09	401.11	8	6	1	178.38	1	0.36	4.09	54684440
Target_lig_1166	cmt6	-0.94	417.11	9	7	1	198.61	1	0.28	4.35	-
Target_lig_1167	cmt5	-1.01	415.14	9	7	2	196.2	1	0.18	4.38	-
Target_lig_1168	cmt2	0.67	426.14	9	5	1	162.32	1	0.43	4.42	-
Target_lig_1169	otc	-1.4	460.15	10	7	2	201.85	1	0.26	4.48	54686003
Target_lig_117	7-(2-(azocan-1-yl)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione	0.69	305.19	6	1	3	75.92	2	0.91	2.36	-
Target_lig_1170	dox	-0.5	444.15	9	6	2	181.62	1	0.33	4.31	54681536
Target_lig_1171	cmt8	-0.04	401.11	8	6	1	178.38	1	0.35	4.14	54685050
Target_lig_1172	san	-0.04	414.14	8	5	2	161.39	1	0.42	3.97	54680104
Target_lig_1173	atc	0.52	428.16	8	5	2	161.39	1	0.43	4.22	76169468
Target_lig_1174	Siomycin	0.51	1647.46	31	17	11	562.74	5	0.06	8.91	16130049
Target_lig_1175	Lincomycin	-0.86	406.21	8	5	7	122.49	0	0.37	4.7	3928
Target_lig_1176	Virginiamycin S	1.2	823.35	11	4	6	224.72	3	0.26	5.39	122731
Target_lig_1177	XA043	2.21	311.13	4	1	4	71.53	2	0.94	2.57	130982
Target_lig_1178	Rx-01_002	1.97	535.19	6	4	8	153.46	3	0.32	3.29	23404107
Target_lig_1179	Rx-01_007	0	0	0	0	0	0	0	0	0	25023632
Target_lig_118	8-bromo-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one	1.55	375.07	5	2	3	65.95	3	0.73	2.53	1917662
Target_lig_1180	Rx-01_133	1.53	414.17	5	3	8	113.76	2	0.61	2.85	11361985
Target_lig_1181	Rx-01_149	1.94	399.17	4	4	6	120.54	2	0.44	2.89	52943501
Target_lig_1182	Rx-01_413	2.53	395.14	6	1	5	89.35	3	0.72	2.99	-
Target_lig_1183	Rx-01_423	3.4	417.19	4	2	9	70.67	2	0.61	2.92	11293965
Target_lig_1184	Rx-01_445	1.93	396.13	7	1	5	102.24	3	0.71	3.12	-
Target_lig_1185	Florfenicol	1.38	357	4	2	6	83.47	1	0.75	3.24	5201447
Target_lig_1186	Ribocil	0	0	0	0	0	0	0	0	0	135567207
Target_lig_1187	Ribocil-A	3.12	382.16	8	2	5	87.06	3	0.7	3.25	136869448
Target_lig_1188	Ribocil-B	0	0	0	0	0	0	0	0	0	136881500
Target_lig_1189	Ribocil-C	3.27	419.15	9	1	5	92.85	4	0.53	3.44	137220378
Target_lig_119	8-methyl-3-(2-(pyrrolidin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one	2.28	296.16	4	1	3	53.92	3	0.81	2.29	920188
Target_lig_1190	Spiro-compound_4	-3.35	248.14	7	6	0	142.19	0	0.26	5.48	-
Target_lig_1191	Spiro-compound_5	-2.96	262.15	7	6	0	142.19	0	0.27	5.32	-
Target_lig_1192	Spiro-compound_6	-1.13	228.15	5	4	0	101.73	0	0.39	5.38	-
Target_lig_1193	Spiro-compound_7	1.11	324.24	5	4	5	87.74	0	0.57	5.48	-
Target_lig_1194	Spiro-ether_compound_3	-2.53	313.18	9	5	3	152.67	1	0.41	5.21	-
Target_lig_1195	Spiro-ether_compound_4	-2.49	327.19	9	5	4	152.67	1	0.41	5.18	-
Target_lig_1196	Spiro-ether_compound_5	-2.94	356.22	10	6	6	164.7	1	0.29	5.14	-
Target_lig_1197	Spiro-ether_compound_6	-3.13	357.2	10	6	5	172.9	1	0.32	5.34	-
Target_lig_1198	Spiro-ether_compound_7	-3.04	343.19	10	6	4	172.9	1	0.33	5.42	-
Target_lig_1199	Spiro-ether_compound_8	-2.86	355.2	9	6	4	187.56	1	0.33	5.14	-
Target_lig_12	tetra_methylpyridyl_porphyrine	6.93	734.24	4	0	0	69.36	4	0.16	7.16	3316441
Target_lig_120	biphenyl_derivative	2.17	246.08	2	2	6	59.1	0	0.33	6.27	-
Target_lig_1200	Spiro-ether_compound_10	0.03	541.32	12	6	12	209.1	1	0.19	5.18	-
Target_lig_1201	Neamine_derivative_14	-0.84	292.15	7	4	3	119.55	2	0.59	3.94	102462540
Target_lig_1202	Neamine_derivative_15	0.18	360.14	7	4	3	119.55	2	0.62	4.07	102462541
Target_lig_1203	Neamine_derivative_18	-1.39	368.03	7	4	3	119.55	1	0.49	4.64	-
Target_lig_1204	Neamine_derivative_19	-1.35	272.09	8	4	3	127.51	1	0.5	4.58	-
Target_lig_1205	Neamine_derivative_20	-0.33	340.08	8	4	3	127.51	1	0.55	4.57	-
Target_lig_1206	Neamine_derivative_26	-1.01	294.14	9	4	3	145.24	1	0.53	5.07	-
Target_lig_1207	Neamine_derivative_27	-1.01	294.14	9	4	3	145.24	1	0.53	5.08	-
Target_lig_1208	Neamine_derivative_28	-2.05	294.14	9	4	3	145.33	2	0.51	4.49	102462550
Target_lig_1209	Neamine_derivative_29	-0.98	310.13	7	4	3	119.55	1	0.57	4.27	102462551
Target_lig_121	N-(2-morpholinoethyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide	2.5	381.24	4	1	6	44.81	2	0.84	2.01	30137413
Target_lig_1210	Neamine_derivative_30	-0.98	310.13	7	4	3	119.55	1	0.57	4.42	102462552
Target_lig_1211	Neamine_derivative_33	-2.76	310.14	9	5	3	165.3	2	0.41	4.4	136861556
Target_lig_1212	Diamino_piperidinyl_triazine_4	-2.82	322.23	10	5	2	175.25	1	0.38	4.11	-
Target_lig_1213	Diamino_piperidinyl_triazine_5	-2.63	391.29	11	6	4	173.29	1	0.32	4.33	-
Target_lig_1214	Diamino_piperidinyl_triazine_6	-0.65	428.28	11	5	5	170.49	2	0.41	3.86	-
Target_lig_1215	Diamino_piperidinyl_triazine_7	-0.7	455.29	11	6	5	190.36	2	0.33	3.91	-
Target_lig_1216	Diamino_piperidinyl_triazine_8	0.03	513.33	12	7	7	210.59	2	0.24	4.13	-
Target_lig_1217	Diamino_piperidinyl_triazine_9	0.61	547.31	12	7	6	210.59	3	0.21	4.01	-
Target_lig_1218	rbt202	0	0	0	0	0	0	0	0	0	-
Target_lig_1219	rbt394	0.39	309.22	5	5	11	118.41	1	0.23	2.26	142104296
Target_lig_122	N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide	2.72	353.11	3	1	5	35.58	1	0.88	1.9	1149597
Target_lig_1220	rbt442	0.3	337.21	5	5	11	135.48	1	0.22	2.22	-
Target_lig_1221	Cinchonidine	3.16	294.17	3	1	3	36.36	2	0.88	4.37	2757
Target_lig_1222	Butamben	2.23	193.11	3	1	4	52.32	1	0.45	1.59	2482
Target_lig_1223	Idarubicin	1.02	497.17	10	5	3	176.61	2	0.33	4.34	3685
Target_lig_1224	ethylquinoline_carboxamide derivative 2	4.05	1178.52	14	8	27	293.04	6	0.03	5.31	-
Target_lig_1225	ethylquinoline_carboxamide derivative 3	3.43	1150.49	14	8	27	293.04	6	0.03	5.23	-
Target_lig_1226	ethylquinoline_carboxamide derivative 4	4.01	1294.53	18	8	29	329.96	6	0.02	5.83	-
Target_lig_1227	ethylquinoline_carboxamide derivative 5	5.25	1252.49	16	8	27	301.4	6	0.02	5.49	-
Target_lig_1228	2-ethylquinoline-3-carboxylic acid	0	0	0	0	0	0	0	0	0	17933414
Target_lig_1229	Dicarba_derivative_8	2.66	598.33	6	4	14	146.52	3	0.17	3.66	-
Target_lig_123	N1-(3,7-dimethoxynaphthalen-1-yl)pentane-1,4-diamine	3.4	288.18	4	2	7	56.51	2	0.77	2.54	-
Target_lig_1230	Dicarba_derivative_9	4.51	1168.62	12	8	28	293.04	6	0.02	5.44	-
Target_lig_1231	Acridine_derivative_2 (AD2)	0	0	0	0	0	0	0	0	0	421105
Target_lig_1232	NSC119236	2.89	319.08	5	0	2	64.85	3	0.53	2.29	273769
Target_lig_1233	SL3_compound_6	1.78	249.22	1	1	4	12.03	1	0.8	3.97	409129
Target_lig_1234	SL3_compound_2	0.8	352.19	10	0	5	93.68	4	0.52	3.06	46883068
Target_lig_1235	N6-1-Iminoethyl-L-lysine	-4.03	188.14	2	3	6	107.76	0	0.22	5.72	7048552
Target_lig_1236	CRG	0.83	904.48	15	9	13	273.49	2	0.07	5.94	-
Target_lig_1237	CRT	-2.51	880.41	17	11	11	327.94	2	0.05	5.81	-
Target_lig_1238	CRK	-3.54	896.4	18	12	11	348.17	2	0.05	5.86	-
Target_lig_1239	Compound (4R,5S)-1	2.07	409.2	6	1	7	71.11	2	0.71	3.09	-
Target_lig_124	benzodiazolyl_methyl_sulfanylmethanimidamide	2.75	304.08	4	2	5	67.69	1	0.51	5.79	-
Target_lig_1240	Compound (4S,5R)-1	2.07	409.2	6	1	7	71.11	2	0.71	3.09	-
Target_lig_1241	Compound (4R,5S)-2	2.74	452.21	7	2	7	100.21	2	0.62	3.18	-
Target_lig_1242	Compound (4S,5R)-2	2.74	452.21	7	2	7	100.21	2	0.62	3.18	-
Target_lig_1243	Compound cis-2	2.74	452.21	7	2	7	100.21	2	0.62	3.18	54758037
Target_lig_1244	5_episisomicin	-3.85	447.27	12	8	6	213.72	0	0.2	5.29	5224
Target_lig_1245	L-Leucyl -L-Arginine	-1.02	287.2	4	5	9	156.82	0	0.21	2.97	152914
Target_lig_1246	Neomycin_B	-8.9	614.31	19	13	9	353.11	0	0.11	5.54	4454
Target_lig_1247	Lividomycin A	-10.01	761.35	23	15	12	406.24	0	0.09	5.93	3940
Target_lig_1248	SAM	-3.26	398.14	11	4	7	185.46	2	0.34	4.76	5136
Target_lig_1249	palmatine_mol	3.38	352.15	4	0	4	40.8	3	0.68	2.62	19009
Target_lig_125	7-hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one	4.16	365.16	5	1	4	62.91	3	0.75	2.3	5438997
Target_lig_1250	Berberine_mol_chloride_salt Chloride	3.1	336.12	4	0	2	40.8	3	0.67	2.79	2353
Target_lig_1251	Neomycin B	-8.9	614.31	19	13	9	353.11	0	0.11	5.54	4454
Target_lig_1252	pyrimidine-2,4,6-triamine	-0.78	125.07	5	3	0	103.84	1	0.42	2.6	13863
Target_lig_1253	Phenothiazine 5	4.44	326.15	4	0	5	23.55	2	0.76	2.2	6077
Target_lig_1254	2,6-Diaminopurine	-0.48	150.07	5	3	0	106.5	2	0.47	2.72	30976
Target_lig_1255	PC1	-1.48	141.07	5	4	0	123.81	1	0.35	2.91	135406869
Target_lig_1256	Benzimidazole 3	-1.51	322.26	3	3	9	63.2	2	0.49	5.02
Target_lig_1257	Benzimidazole 13 / Isis-13	-1.66	346.26	3	3	4	49.21	2	0.62	6.05
Target_lig_1258	WM5	0.21	378.16	8	1	3	107.52	3	0.65	2.76
Target_lig_1259	Quinoxaline 3	-0.62	191.1	5	4	0	131.11	2	0.41	3.89
Target_lig_126	tetraene_mol	4.34	308.18	2	0	1	34.14	0	0.68	4.37	14605222
Target_lig_1260	Lysine Analog 8	-5	197.06	4	2	5	129.55	0	0.46	5.69	11948926
Target_lig_1261	Lysine Analog 9	-4.39	149.09	3	2	5	104.64	0	0.39	6.01	11948928
Target_lig_1262	Targapremir-210	5.5	592.3	7	3	12	150.93	5	0.08	2.99	44221088
Target_lig_1263	Targapremir-210-RL	5.5	592.3	7	3	12	150.93	5	0.08	2.99	44221088
Target_lig_1264	Furamidine	3.18	304.13	3	4	4	112.88	3	0.44	2.08	126437
Target_lig_1265	Compound 8	4.57	374.22	2	2	3	43.14	4	0.52	2.88	432608
Target_lig_1266	2AU-2	5.38	1179.6	17	10	32	375.25	8	0.01	4.65
Target_lig_1267	DM1_compound1	3.7	438.17	9	4	8	136.89	4	0.24	2.52	71511622
Target_lig_1268	DM1_compound3	-3.64	524.33	12	10	14	280.72	3	0.06	3.46
Target_lig_1269	Sisomycin	-3.85	447.27	12	8	6	213.72	0	0.2	5.29	5224
Target_lig_127	5E1bromophenyl52piperazin1	-0.07	419.06	6	3	5	93.78	0	0.25	3.86	-
Target_lig_1270	Gentamycin	-3.33	477.32	12	8	7	199.73	0	0.18	5.32	3467
Target_lig_1271	Netilmicin	-3.2	475.3	12	8	8	199.73	0	0.18	5.31	4460
Target_lig_1272	Kanamycin-A	-7.29	484.24	15	11	6	282.61	0	0.17	5.05	815
Target_lig_1273	Ribostamycin	-6.65	454.23	14	10	6	262.38	0	0.18	4.97	5066
Target_lig_1274	Compound1a	4.57	374.22	2	2	3	43.14	4	0.52	2.88	432608
Target_lig_1275	Compound2	4.15	368.17	3	6	5	127.56	4	0.23	2.3	435840
Target_lig_1276	Hoechst_33258_1	5.6	416.17	4	4	3	109.4	6	0.28	2.46	4644404
Target_lig_1277	MPED	0.76	151.11	3	2	3	50.94	1	0.67	2.11	10034794
Target_lig_1278	SMB1	4.74	593.31	8	4	12	152.48	5	0.09	3.09
Target_lig_1279	SMB4	16.09	1817.14	21	4	44	320.7	10	0.03	6.25
Target_lig_128	6-chloro-3-((4-methyl-1,4-diazepan-1-yl)methyl)-4H-chromen-4-one	2.58	306.11	4	0	2	36.69	2	0.85	2.21	23769929
Target_lig_1280	Myomycin	-7.3	725.36	18	14	17	419.12	0	0.04	5.45	3040806
Target_lig_1281	Compd 40	-8.54	627.34	19	13	9	358.9	0	0.11	5.72
Target_lig_1282	Compd 42	-8.54	627.34	19	13	9	358.9	0	0.11	5.69
Target_lig_1283	Compd 43	-8.54	627.34	19	13	9	358.9	0	0.11	5.71
Target_lig_1284	Spiro-ether_compound_9	-3.04	343.19	10	6	4	172.9	1	0.33	5.42
Target_lig_1285	Neamine mimic_10	-4.84	353.18	11	7	5	195.9	0	0.25	4.63
Target_lig_1286	Bekanamycin	-7.33	483.25	15	11	6	288.4	0	0.17	5.15	816
Target_lig_1287	Kanamycin B	-7.33	483.25	15	11	6	288.4	0	0.17	5.15	816
Target_lig_129	dihydroquinoline-3-carboxamide_derivative	1.09	313.14	4	3	4	85.43	1	0.74	3.57	-
Target_lig_13	tetra_methylpyridyl_porphyrine_Cu complex	6.93	739.24	4	0	0	69.36	4	0.16	7.17	3292428
Target_lig_130	N-(isochroman-1-ylmethyl)-3-(piperidin-1-yl)propan-1-amine	2.77	288.22	3	1	6	24.5	1	0.81	2.66	659151
Target_lig_131	N1-isopropyl-N2-(2-(4-(4-methylbenzoyl)piperazin-1-yl)ethyl)oxalamide	0.39	360.22	4	2	5	81.75	1	0.74	1.99	1940137
Target_lig_132	1-(4-chlorobenzyl)-N-(2-morpholinoethyl)piperidine-4-carboxamide	2	365.19	4	1	6	44.81	1	0.84	1.92	25250022
Target_lig_133	1-(2,4-dimethoxybenzyl)-4-methyl-1,4-diazepane	1.84	264.18	4	0	4	24.94	1	0.83	1.81	763014
Target_lig_134	DIONE_DERIVATIVE	0.83	445.07	8	3	4	126.17	2	0.47	4.84	-
Target_lig_135	4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2,3,4,5,6,7,8-octahydroquinoline-3-carboxamide	0.91	335.22	4	3	5	81.67	0	0.52	3.46	-
Target_lig_136	pyran-3,4-diol_derivative	-8.86	615.3	19	13	9	347.32	0	0.11	5.51	-
Target_lig_137	gentamicin_mol_c2	-3.59	463.3	12	8	6	213.72	0	0.19	5.29	588785
Target_lig_138	gentamicin_mol_c1	-3.33	477.32	12	8	7	199.73	0	0.18	5.32	3467
Target_lig_139	gentamicin_mol_B	-6	482.26	14	10	6	248.39	0	0.17	5.16	37569
Target_lig_14	tetra_methylpyridyl_porphyrine_Zn complex	5.36	740.23	4	0	3	66.06	4	0.21	6.58	5489106
Target_lig_140	Geneticin	-5.61	496.27	14	10	6	248.39	0	0.16	5.37	354578
Target_lig_141	Kanamycin C	-7.29	484.24	15	11	6	282.61	0	0.17	5.08	16785
Target_lig_142	Garamine	-3.79	321.19	9	7	3	163.45	0	0.28	4.73	14699894
Target_lig_143	2_phospho_gentamicin_mol	-3.04	557.28	14	8	9	243.1	0	0.13	5.99	-
Target_lig_144	dihydro_sisomicin	-3.98	449.28	12	8	6	213.72	0	0.19	5.17	-
Target_lig_145	1_N_Acetyl_sisomicin	-3.8	491.3	12	8	7	216.8	0	0.17	5.16	-
Target_lig_146	myomycin	-7.3	725.36	18	14	17	419.12	0	0.04	5.45	3040806
Target_lig_147	CRP	-0	767.43	9	8	20	276.14	2	0.08	4.4	22146496
Target_lig_148	neocarzinostatin	1.47	661.22	13	4	7	174.77	2	0.19	6.57	76632185
Target_lig_149	Neocarzinostatin_chromophore_derivative_1	1.42	661.22	13	4	5	179.31	2	0.27	6.34	-
Target_lig_15	Berberine_mol	3.1	336.12	4	0	2	40.8	3	0.67	2.79	2353
Target_lig_150	Neocarzinostatin_chromophore_derivative_2	1.16	529.17	9	4	3	148.54	3	0.39	5.35	-
Target_lig_151	Neocarzinostatin_chromophore_derivative_3	1.16	529.17	9	4	3	148.54	3	0.37	5.33	-
Target_lig_152	Neocarzinostatin_chromophore_derivative_5	3.78	539.23	7	3	4	97.25	3	0.43	5.39	-
Target_lig_153	Neocarzinostatin_chromophore_derivative_6	3.78	539.23	7	3	4	97.25	3	0.43	5.39	-
Target_lig_154	Theophylline	-1.04	180.06	5	1	0	72.68	2	0.56	2.54	2153
Target_lig_155	caffeine	-1.03	194.08	6	0	0	61.82	2	0.54	2.3	2519
Target_lig_156	1_methylxanthine	-1.05	166.05	4	2	0	83.54	2	0.52	2.78	80220
Target_lig_157	1,3-dimethyluric acid	-1.75	196.06	5	2	0	92.65	2	0.52	2.78	70346
Target_lig_158	3,7-dimethylxanthine	-1.04	180.06	5	1	0	72.68	2	0.56	2.47	5429
Target_lig_159	3-methylxanthine	-1.05	166.05	4	2	0	83.54	2	0.52	2.68	70639
Target_lig_16	Palmataine	3.38	352.15	4	0	4	40.8	3	0.68	2.62	19009
Target_lig_160	7-methylxanthine	-1.05	166.05	4	2	0	83.54	2	0.52	2.78	68374
Target_lig_161	CP-theophylline	-1.1	238.07	6	2	3	109.98	2	0.7	2.51	20474649
Target_lig_162	Hypoxanthine	-0.35	136.04	3	2	0	74.43	2	0.52	3	790
Target_lig_163	xanthine	-1.06	152.03	3	3	0	94.4	2	0.45	2.86	1188
Target_lig_164	bis(phenanthroline)(9,10-phenanthrenequinone diimine)Rhodium(III)	0	0	-	-	-	0	-	0	0	-
Target_lig_165	Adenine	-0.06	135.05	4	2	0	80.48	2	0.53	2.66	190
Target_lig_166	2-aminopurine	-0.06	135.05	4	2	0	80.48	2	0.53	2.69	9955
Target_lig_167	2,4,6-triaminopyrimidine	-0.78	125.07	5	3	0	103.84	1	0.42	2.6	13863
Target_lig_168	2,6- diaminopurine	-0.48	150.07	5	3	0	106.5	2	0.47	2.72	30976
Target_lig_169	2,4-diaminopurine	-1.52	150.07	6	2	0	101.48	0	0.44	5.22	18410141
Target_lig_17	Coralyne	4.07	364.15	4	0	4	41.02	4	0.31	2.58	23307
Target_lig_170	quinolinediamine_trimethyl_der	2.19	201.13	3	1	1	42.15	2	0.72	2.22	326802
Target_lig_171	3-quinolinecarboxamide	1.33	172.06	2	1	1	55.98	2	0.71	1.7	15561101
Target_lig_172	4-pyridineacetamide, N- [2- (dimethylamino)-4-methyl-7-quinolinyl]	3.19	320.16	4	1	4	58.12	3	0.8	2.19	85830272
Target_lig_173	deoxy_adenosylcobalamin	2.17	1578.66	27	12	27	584.23	4	0.03	8.75	3648667
Target_lig_174	Cethromycin	5.11	765.42	12	2	8	162.82	2	0.27	5.98	4470571
Target_lig_175	Amikacin	-8.42	585.29	17	13	10	331.94	0	0.11	5.29	2142
Target_lig_176	Acetylpromazine	4.44	326.15	4	0	5	23.55	2	0.76	2.2	6077
Target_lig_177	CMC1_dioxo-hexahydro-nitro-cyclopentaquinoxaline	0	0	-	-	-	0	-	0	0	-
Target_lig_178	CMC2_tetraaminoquinozaline	-0.89	190.1	6	4	0	129.86	1	0.39	4.71	-
Target_lig_179	CMC3_Hoechst33258	3.64	456.19	7	5	3	124.53	5	0.26	2.7	135507274
Target_lig_18	Sanguinarine	3.43	332.09	4	0	0	40.8	4	0.37	2.9	5154
Target_lig_180	CMC3-2_Hoechst33258	-0.85	418.15	5	3	3	84.07	2	0.57	5.68	-
Target_lig_181	Quinacridone	3.68	312.09	2	2	0	65.72	5	0.43	2.12	13976
Target_lig_182	Mitoxantrone	-0.14	444.2	10	8	12	163.18	2	0.14	2.81	4212
Target_lig_183	Rbt203	-0.51	351.24	5	5	12	159.29	1	0.19	2.49	448945
Target_lig_184	Rbt417	2.36	453.23	5	5	12	150.06	3	0.16	2.7	516511
Target_lig_185	Rbt418	1.9	437.25	5	5	12	163.2	3	0.16	2.66	516510
Target_lig_186	Rbt428	3.44	425.22	5	4	12	111.68	3	0.2	2.53	516512
Target_lig_187	Rbt550	2.56	407.27	5	4	10	78.34	3	0.39	2.52	448939
Target_lig_188	Thiethylperazine	5.04	399.18	5	0	6	9.72	2	0.63	2.43	5440
Target_lig_189	Trifluoperazine	4.95	407.16	4	0	4	9.72	2	0.71	2.35	5566
Target_lig_19	Aristololactam_Beta_D_glucoside	0.49	455.12	9	4	3	138.15	3	0.42	4.14	53462738
Target_lig_190	Usnic acid	1.5	344.09	7	2	2	117.97	1	0.62	4.25	5646
Target_lig_191	Wm5	1.54	379.16	7	2	3	104.69	3	0.67	2.41	481127
Target_lig_192	Xanthinol	-2.28	311.16	9	2	6	105.52	2	0.62	3.1	9913
Target_lig_193	Yohimbine	2.65	354.19	4	2	1	65.56	2	0.77	3.87	2866
Target_lig_194	netilmicin	-3.2	475.3	12	8	8	199.73	0	0.18	5.31	4460
Target_lig_195	hydroxymethyl_piperidinyl_propyl_phenothiazinyl_ethanone	4.59	396.19	5	1	6	43.78	2	0.72	2.82	-
Target_lig_196	methoxypiperidin_butyl_der	5.38	410.2	5	0	7	32.78	2	0.45	2.86	-
Target_lig_197	dimethylamino_propyl_phenothiazinyl_ethanone	4.44	326.15	4	0	5	23.55	2	0.76	2.2	6077
Target_lig_198	3-(2-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	4.25	314.15	4	0	5	15.71	2	0.82	2.13	18847
Target_lig_199	3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	4.89	318.1	3	0	4	6.48	2	0.79	2.14	2726
Target_lig_2	Methidiumpropyl-EDTA(MPE)	0.09	645.29	10	6	17	218.26	4	0.04	3.44	4125251
Target_lig_20	Berenil	1.57	398.18	6	7	7	202.89	2	0.16	2.64	65060
Target_lig_200	3-(3,7-dimethyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	4.86	312.17	3	0	4	6.48	2	0.8	2.26	-
Target_lig_201	3-(4-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	4.25	314.15	4	0	5	15.71	2	0.82	2.3	-
Target_lig_202	dimethylamino_propyl_phenothiazin_der_2	3.95	300.13	4	1	4	26.71	2	0.92	2.24	77525
Target_lig_203	10-(3-(dimethylamino)propyl)-10H-phenothiazin-4-ol	3.95	300.13	4	1	4	26.71	2	0.92	2.4	-
Target_lig_204	N,N-dimethyl-3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propan-1-amine	5.26	352.12	3	0	4	6.48	2	0.74	2.29	5568
Target_lig_205	N,N-dimethyl-3-(3-methyl-10H-phenothiazin-10-yl)propan-1-amine	4.55	298.15	3	0	4	6.48	2	0.82	2.14	-
Target_lig_206	N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine	4.24	284.13	3	0	4	6.48	2	0.83	2.03	4926
Target_lig_207	[3-(2-chloro-10H-phenothiazin-10	4.89	318.1	3	0	4	6.48	2	0.79	2.14	2726
Target_lig_208	hydroxymethyl_piperidinyl_butyl	4.98	410.2	5	1	7	43.78	2	0.52	2.83	-
Target_lig_209	hydroxymethyl_piperidinyl_pentyl	5.37	424.22	5	1	8	43.78	2	0.46	2.85	-
Target_lig_21	Dapi	2.4	277.13	2	5	3	115.53	3	0.37	2.27	2954
Target_lig_210	3_phenothiazine_analog_1	2.63	387.16	7	3	9	76.04	2	0.35	2.87	-
Target_lig_211	3_phenothiazine_analog_2	4.54	402.14	6	2	9	52.57	2	0.36	3.07	-
Target_lig_212	3_phenothiazine_analog_3	3.91	334.09	4	2	6	35.5	2	0.78	2.24	59122031
Target_lig_213	2-chloro-10-pyrrolidin_phenothiazine_der	6.11	360.14	3	1	8	15.27	2	0.57	2.18	-
Target_lig_214	2-chloro-10-methylpyrrolidin_phenothiazine_der	5.04	330.1	3	0	3	6.48	2	0.78	2.12	-
Target_lig_215	2-chloro-10-[2-(2-methylpyrrolidin-1-yl)ethyl]_phenothiazine_der	5.43	344.11	3	0	3	6.48	2	0.73	2.72	-
Target_lig_216	chloro_piperidine_propyl_der	5.82	358.13	3	0	4	6.48	2	0.68	2.14	59122032
Target_lig_217	chloro_methylpiperazinyl_propyl_phenothiazine_der	4.58	373.14	4	0	4	9.72	2	0.78	2.21	4917
Target_lig_218	choro_imidazole_phenothiazine_der	4.84	327.06	4	0	3	21.06	3	0.69	2.34	-
Target_lig_219	benzyl_phenothiazin_der	5.73	366.1	3	1	5	15.27	3	0.58	2.05	23593635
Target_lig_22	MPE-Zn(II)	0.09	645.29	10	6	17	218.26	4	0.04	3.44	4125251
Target_lig_220	Butirosin	-7.79	555.28	16	12	10	311.71	0	0.12	5.2	2485
Target_lig_221	N_N_dimethyl_amiloride	-0.81	257.08	5	3	2	136.51	1	0.47	3	1793
Target_lig_222	Anisomycin	0.5	265.13	5	2	4	67.79	1	0.78	3.24	2199
Target_lig_223	Azithromycin	1.9	748.51	14	5	7	180.08	0	0.24	6.13	2269
Target_lig_224	B-12	-2.84	644.38	16	8	14	264.88	3	0.08	5.04	-
Target_lig_225	Benzimidazole13ibis	2.1	342.24	5	1	4	40.1	1	0.91	4.46	-
Target_lig_226	Benzimidazole3ibis	1.9	319.24	6	1	9	59.55	2	0.72	2.31	10471212
Target_lig_227	biotin_molecule	0.8	244.09	3	3	5	78.43	0	0.49	3.64	253
Target_lig_228	Chloramphenicol	0.91	322.01	5	3	6	112.7	1	0.41	3.13	298
Target_lig_229	Streptogramin_B	1.27	866.4	12	4	7	227.96	3	0.25	5.53	11136668
Target_lig_23	MPE-Fe(II)	0.09	645.29	10	6	17	218.26	4	0.04	3.44	4125251
Target_lig_230	Minocycline	0.03	457.18	9	5	3	164.63	1	0.39	4.1	54687237
Target_lig_231	Tigecycline_mol	0.36	585.28	11	7	6	205.76	1	0.18	4.36	54681041
Target_lig_232	Clarithromycin	2.44	747.48	14	4	8	182.91	0	0.27	6.12	4663848
Target_lig_233	Eryrthromycin	1.79	733.46	14	5	7	193.91	0	0.24	6.09	3255
Target_lig_234	Pristinamycin IIA	2.66	525.25	8	2	1	139.04	1	0.53	6	5674
Target_lig_235	Quinupristin	2.32	1021.47	14	4	10	231.2	3	0.21	6.89	71338
Target_lig_236	Tiamulin	4.97	493.32	6	1	9	66.84	0	0.28	5.51	4517617
Target_lig_237	Valnemulin	4.5	564.36	7	3	9	118.72	0	0.28	5.84	21706784
Target_lig_238	CMC3-1_Hoechst33258	-0.78	462.18	6	2	5	82.3	2	0.57	5.69	-
Target_lig_239	Delfinidin	1.31	301.04	7	4	1	134.19	1	0.53	3.51	25203213
Target_lig_24	Phenylquinoline_derivative_1	3.88	291.17	3	1	5	28.16	3	0.77	1.85	453048
Target_lig_240	Protoporphyrin IX	7.81	562.26	4	4	8	131.96	3	0.22	5.52	4971
Target_lig_241	Kirromycin	3.07	796.41	12	8	17	228.1	1	0.06	6.34	135452736
Target_lig_242	CMC4_Hoechst33258	5.85	418.14	4	4	3	97.82	6	0.29	2.23	449494
Target_lig_243	CMC6_diphenylfuran	4.84	388.23	3	2	6	89.9	3	0.47	2.67	460176
Target_lig_244	CMC7_diphenylfuran	3.15	446.28	5	2	10	96.38	3	0.37	2.83	485808
Target_lig_245	CMC8_diphenylfuran	3.93	474.31	5	2	12	96.38	3	0.24	2.82	485809
Target_lig_246	DB340	3.8	514.32	6	3	12	125.06	4	0.15	3	460172
Target_lig_247	Evernimicin	1.26	1629.51	38	8	21	479.1	2	0.05	8.31	22563662
Target_lig_248	GUANINE	-0.77	151.05	4	3	0	100.45	2	0.46	2.92	135398634
Target_lig_249	2-AMINO-N6-HYDROXYADENINE	-0.26	166.06	6	4	1	112.74	2	0.43	3.03	101513
Target_lig_25	Phenylquinoline_derivative_2	3.16	499.34	7	0	4	32.33	3	0.55	2.67	-
Target_lig_250	2,5,6-TRIAMINO-PYRIMIDINE-4-ONE	-1.48	141.07	5	4	0	123.81	1	0.35	2.98	135406869
Target_lig_251	Phenyl ether paromomycin derivative 1	-6.64	705.34	19	12	12	336.32	1	0.1	5.63	-
Target_lig_252	Aminoglycoside derivative 1	-5.66	689.36	19	11	13	320.78	1	0.09	5.71	-
Target_lig_253	Aminoglycoside derivative 2	-5.98	703.38	19	11	14	320.78	1	0.08	5.7	-
Target_lig_254	Aminoglycoside derivative 3	-7.23	669.39	19	12	15	333.91	0	0.07	5.74	-
Target_lig_255	Aminoglycoside derivative 4	-7.62	655.38	19	12	14	333.91	0	0.08	5.74	-
Target_lig_256	Aminoglycoside derivative 6	-7.21	612.33	18	11	11	321.88	0	0.1	5.7	-
Target_lig_257	Aminoglycoside derivative 7	-8.03	698.42	20	13	17	345.94	0	0.06	5.81	-
Target_lig_258	Aminoglycoside derivative 8	-7.67	724.43	20	12	15	323.16	0	0.07	5.8	-
Target_lig_259	Aminoglycoside derivative 9	-6.83	695.41	19	12	13	319.92	0	0.08	5.8	-
Target_lig_26	Phenylquinoline_derivative_3	3.13	585.43	9	1	8	47.6	3	0.43	2.93	-
Target_lig_260	Aminoglycoside derivative 10	-6.58	709.42	19	12	14	319.92	0	0.07	5.86	-
Target_lig_261	Aminoglycoside derivative 12	-4.51	739.38	19	11	13	320.78	2	0.09	5.71	-
Target_lig_262	Aminoglycoside derivative 13	-5.25	694.41	18	11	13	307.89	0	0.08	5.7	-
Target_lig_263	Aminoglycoside derivative 14	-5.94	717.39	19	11	15	320.78	1	0.08	5.72	-
Target_lig_264	Aminoglycoside derivative 15	-5.34	716.4	18	11	15	307.89	1	0.08	5.62	-
Target_lig_265	Aminoglycoside derivative 16	-5.38	702.38	18	11	14	307.89	1	0.08	5.6	-
Target_lig_266	Aminoglycoside derivative 17	-5.35	704.36	19	12	13	328.12	1	0.09	5.7	-
Target_lig_267	Aminoglycoside derivative 18	-6.4	718.39	20	12	14	346.8	1	0.08	5.77	-
Target_lig_268	Aminoglycoside derivative 19	-6.4	718.39	20	12	14	346.8	1	0.08	5.78	-
Target_lig_269	Aminoglycoside derivative 20	-5.66	689.36	19	11	13	320.78	1	0.09	5.69	-
Target_lig_27	Cibacron blue	3.85	773.01	15	7	9	298.03	5	0.08	3.28	172469
Target_lig_270	Aminoglycoside derivative 21	-5.14	696.43	18	11	14	307.89	0	0.08	5.79	-
Target_lig_271	Aminoglycoside derivative 22	-4.95	730.41	18	11	16	307.89	1	0.07	5.64	-
Target_lig_272	Aminoglycoside derivative 24	-4.56	744.43	18	11	17	307.89	1	0.07	5.65	-
Target_lig_273	Aminoglycoside derivative 25	-3.67	792.43	18	11	16	307.89	2	0.07	5.66	-
Target_lig_274	Aminoglycoside derivative 33	-4.18	766.41	18	11	15	307.89	2	0.08	5.73	-
Target_lig_275	Perazidoparomomycin derivative 1	-7.58	627.33	18	11	10	304.31	0	0.11	5.6	-
Target_lig_276	Perazidoparomomycin derivative 2	-8.2	656.36	19	13	13	339.12	0	0.08	5.64	-
Target_lig_277	Perazidoparomomycin derivative 3	-7.42	683.36	19	11	11	313.54	0	0.1	5.6	-
Target_lig_278	Perazidoparomomycin derivative 4	-7.11	714.36	20	13	11	351.43	0	0.09	5.77	-
Target_lig_279	Perazidoparomomycin derivative 5	-7.92	613.32	18	12	10	313.1	0	0.11	5.59	-
Target_lig_28	Reactive Blue 4	3.52	635.97	12	5	6	231.63	4	0.13	3.03	25863
Target_lig_280	Perazidoparomomycin derivative 6	-7.81	670.37	19	13	14	339.12	0	0.08	5.64	-
Target_lig_281	Perazidoparomomycin derivative 8	-6.89	655.36	18	12	12	313.1	0	0.09	5.62	-
Target_lig_282	Perazidoparomomycin derivative 9	-8.68	614.31	19	13	10	339.12	0	0.08	5.69	-
Target_lig_283	Perazidoparomomycin derivative 10	-6.31	703.36	18	12	13	313.1	1	0.09	5.53	-
Target_lig_284	Perazidoparomomycin derivative 11	-5.96	717.38	18	11	13	304.31	1	0.09	5.56	-
Target_lig_285	Perazidoparomomycin derivative 12	-5.92	717.38	18	12	14	313.1	1	0.08	5.54	-
Target_lig_286	Perazidoparomomycin derivative 13	-4.26	785.44	18	12	14	313.1	1	0.08	5.67	-
Target_lig_287	Perazidoparomomycin derivative 14	-6.3	733.37	19	12	14	322.33	1	0.08	5.59	-
Target_lig_288	Perazidoparomomycin derivative 15	-6.17	721.35	18	12	13	313.1	1	0.08	5.57	-
Target_lig_289	Perazidoparomomycin derivative 16	-5.92	717.38	18	12	13	313.1	1	0.09	5.62	-
Target_lig_29	L_arginine	-1.55	174.11	3	4	5	127.72	0	0.23	2.73	6322
Target_lig_290	Perazidoparomomycin derivative 17	-5.29	771.35	18	12	13	313.1	1	0.08	5.66	-
Target_lig_291	Perazidoparomomycin derivative 18	-6.3	733.37	19	12	14	322.33	1	0.08	5.56	-
Target_lig_292	Perazidoparomomycin derivative 19	-6.02	707.4	18	11	10	304.31	0	0.1	5.78	-
Target_lig_293	Perazidoparomomycin derivative 20	-6.43	733.37	19	13	13	333.33	1	0.09	5.75	-
Target_lig_294	Perazidoparomomycin derivative 21	-5.29	771.35	18	12	13	313.1	1	0.08	5.68	-
Target_lig_295	Perazidoparomomycin derivative 22	-6.3	733.37	19	12	14	322.33	1	0.08	5.59	-
Target_lig_296	Perazidoparomomycin derivative 23	-5.63	721.41	18	11	11	304.31	0	0.09	5.79	-
Target_lig_297	Perazidoparomomycin derivative 26	-7.16	710.41	19	13	13	325.13	0	0.08	5.79	-
Target_lig_298	Perazidoparomomycin derivative 27	-7.02	710.41	19	13	13	325.13	0	0.08	5.8	-
Target_lig_299	Benzoyl paromomycin derivative	-4.83	850.43	19	12	16	347.4	2	0.08	5.9	-
Target_lig_3	Hygromycin_B	-7.27	527.23	16	11	6	272.06	0	0.15	6.05	3659
Target_lig_30	D_arginine	-1.55	174.11	3	4	5	127.72	0	0.23	2.73	71070
Target_lig_300	Acetyl parmomycin derivative	-6.13	788.42	19	12	15	347.4	1	0.08	5.94	-
Target_lig_301	Ether paromomycin derivative 3	-6.48	719.36	19	13	12	347.32	1	0.1	5.9	-
Target_lig_302	Ether paromomycin derivative 4	-5.97	496.27	14	10	9	262.38	0	0.14	5.28	-
Target_lig_303	Ether paromomycin derivative 5	-6.43	525.3	15	11	11	274.41	0	0.09	5.4	-
Target_lig_304	Ethyl paromomycin derivative 2	-7.65	670.37	19	12	12	330.33	0	0.09	5.88	-
Target_lig_305	Deoxy fluoro paromomycin	-7.29	631.31	18	12	10	327.09	0	0.11	5.85	-
Target_lig_306	Sparsomycin	-1.07	361.08	6	4	8	132.12	1	0.44	4.13	14967
Target_lig_307	Linezolid	1.12	337.14	5	1	4	71.11	1	0.89	2.76	3929
Target_lig_308	Malachite green	1.4	364.17	1	0	3	6.25	2	0.75	2.77	11294
Target_lig_309	Micrococcin	5.57	1143.21	22	9	10	325.52	7	0.08	7.73	3051328
Target_lig_31	L- L_lysine	-0.47	146.11	3	3	5	89.34	0	0.46	2.47	5962
Target_lig_310	Nosiheptide	4.88	1221.15	24	10	5	385.78	8	0.08	6.77	16130051
Target_lig_311	Paromamine	-5.08	323.17	10	8	3	197.67	0	0.25	4.53	4475106
Target_lig_312	Puromycin	-0.79	471.22	11	4	8	160.88	3	0.33	3.94	4984
Target_lig_313	Retapamulin	5.25	517.32	6	1	5	66.84	0	0.4	6.13	73046449
Target_lig_314	S-adenosyl methionine	-3.26	398.14	11	4	7	185.46	2	0.34	4.76	5136
Target_lig_315	Spiramycin A	2.33	842.51	16	4	11	195.38	0	0.17	6.71	5266
Target_lig_316	T4-MPyP (Tetrakismethylpiridiniumylporphine)	5.36	676.31	4	0	3	66.06	4	0.27	6.5	101068503
Target_lig_317	Telithromycin	4.93	811.47	14	1	11	171.85	2	0.18	6.04	21881641
Target_lig_318	Thiamine_Pyrophosphate(TPP)	0.21	424.04	9	3	8	171.8	2	0.39	4.47	5431
Target_lig_319	Thiostrepton	0.77	1663.49	31	17	12	562.74	5	0.06	8.94	16129995
Target_lig_32	Guanidine-acetic acid	-1.07	119.07	2	4	0	113.19	0	0.24	2.18	2724684
Target_lig_320	Tylosin	1.83	915.52	18	5	13	238.67	0	0.13	6.85	5062352
Target_lig_321	Sordarin	2.41	492.27	7	3	7	122.52	0	0.37	6.26	22219016
Target_lig_322	Pulvomycin	4.82	838.45	13	5	13	198.51	0	0.07	6.77	159327
Target_lig_323	Enacyloxin IIa	3.6	701.24	10	6	18	213.91	0	0.04	5.74	5288163
Target_lig_324	Clindamycin	0.39	424.18	7	4	7	102.26	0	0.44	4.74	2786
Target_lig_325	Edeine_mol	-4.53	754.43	14	14	28	359.6	1	0.04	4.64	379085
Target_lig_326	LINEZOLID_DERIVATIVE_1	-0.07	394.17	6	2	5	102.42	1	0.72	2.88	73214
Target_lig_327	LINEZOLID_DERIVATIVE_2	-0.07	394.17	6	2	5	102.42	1	0.72	2.88	12016333
Target_lig_328	LINEZOLID_DERIVATIVE_3	1.66	385.09	5	1	4	61.88	1	0.8	3.38	101158576
Target_lig_329	LINEZOLID_DERIVATIVE_4	1.66	385.09	5	1	4	61.88	1	0.8	3.38	101158576
Target_lig_33	agmatine	-1	130.12	2	3	4	90.42	0	0.26	2.35	199
Target_lig_330	radezolid	2.36	438.18	6	3	8	112.24	3	0.5	3.11	22274119
Target_lig_331	preQ1 (7-Aminomethyl-7-deazaguanine)	-0.71	179.08	4	4	1	113.58	2	0.46	3	135398563
Target_lig_332	lysine	-0.47	146.11	3	3	5	89.34	0	0.46	2.47	866
Target_lig_333	guanosine	-2.69	283.09	9	5	2	159.51	2	0.4	3.71	765
Target_lig_334	SB-280080	4.38	477.29	6	2	5	75.63	0	0.45	5.61	-
Target_lig_335	SB-571519	2.26	500.26	9	4	3	164.73	1	0.46	5.82	-
Target_lig_336	Proflavin	2.55	209.1	3	2	0	64.93	3	0.44	2.06	7099
Target_lig_337	acridine orange	3.52	265.16	3	0	2	19.37	3	0.66	2.16	62344
Target_lig_338	PROFLAVIN_PLATINUM_DERIVATIVE	0	0	-	-	-	0	-	0	0	-
Target_lig_339	Methylene Blue	-0.5	319.09	3	0	1	19.14	1	0.44	2.89	6099
Target_lig_34	l_arginine_methyl ester	-1.46	188.13	4	3	5	116.72	0	0.21	2.76	92932
Target_lig_340	Quinacrine	5.97	399.21	4	1	9	37.39	3	0.45	2.78	237
Target_lig_341	hoechst	4.23	424.2	5	3	3	84.07	5	0.4	2.44	2392
Target_lig_342	Ellipticine	4.49	246.12	1	1	0	28.68	4	0.49	2.29	3213
Target_lig_343	Azacyanine 3	2.38	290.14	4	0	0	27.65	3	0.59	3.23	404658
Target_lig_344	Azacyanine 5	3.78	356.05	6	0	2	37.94	3	0.66	3.26	404662
Target_lig_345	palmatine chloride new	3.38	352.15	4	0	4	40.8	3	0.68	2.62	19009
Target_lig_346	Distamycin A	2.01	725.31	12	8	14	249.12	5	0.05	3.47	161892
Target_lig_347	Spiro-compound_1	-3.35	248.14	7	6	0	142.19	0	0.26	5.48	-
Target_lig_348	Spiro-compound_2	-4.49	349.18	9	8	4	191.52	0	0.25	5.43	-
Target_lig_349	Spiro-compound_3	-3.74	376.23	9	8	6	197.31	0	0.21	5.26	-
Target_lig_35	l-arginine_ethyl ester	-1.07	202.14	4	3	6	116.72	0	0.22	2.73	439495
Target_lig_350	Spiro-ether_compound_1	-2.53	313.18	9	5	3	152.67	1	0.41	5.21	-
Target_lig_351	Spiro-ether_compound_2	-0.31	403.22	9	4	6	141.67	2	0.51	4.85	-
Target_lig_352	RADEZOLIDS DERIVATIVE	1.54	534.2	5	5	8	156.26	3	0.28	3.49	-
Target_lig_353	Bifunctional_aminoglycoside_derivative_1	-9.77	826.48	22	16	18	443.12	0	0.06	5.88	-
Target_lig_354	Bifunctional_aminoglycoside_derivative_2	-9.8	872.55	24	16	21	431.86	0	0.05	6.19	-
Target_lig_355	Bifunctional_aminoglycoside_derivative_3	-5.37	612.41	16	10	19	268.86	0	0.06	5.13	-
Target_lig_356	Bifunctional_aminoglycoside_derivative_4	-4.54	580.42	14	10	17	250.4	0	0.07	5.11	-
Target_lig_357	Bifunctional_aminoglycoside_derivative_5	-5.3	614.37	16	10	19	257.28	0	0.06	5.03	-
Target_lig_358	Bifunctional_aminoglycoside_derivative_6	-4.92	597.39	15	10	18	253.84	0	0.07	5.08	-
Target_lig_359	Bifunctional_aminoglycoside_derivative_7	-4.95	596.41	15	10	18	259.63	0	0.07	5.14	-
Target_lig_36	L-arginine amide	-2.15	173.13	3	4	5	133.51	0	0.21	2.9	447555
Target_lig_360	Neamine derivative_1	-6.68	509.32	14	11	13	279.84	0	0.1	4.99	-
Target_lig_361	Neamine derivative_2	-6.29	523.33	14	11	14	279.84	0	0.09	4.98	10142905
Target_lig_362	Neamine derivative_3	-5.9	537.35	14	11	15	279.84	0	0.09	4.97	-
Target_lig_363	Neamine derivative_4	-5.15	422.29	12	9	10	230.51	0	0.15	4.75	-
Target_lig_364	Neamine derivative_5	-7.34	624.38	16	12	17	334.37	0	0.07	5.32	-
Target_lig_365	Neamine derivative_6	-3.78	569.35	13	10	14	259.61	1	0.08	4.73	-
Target_lig_366	Neamine derivative_7	-3.78	569.35	13	10	14	259.61	1	0.08	4.76	-
Target_lig_367	Neamine mimic_1	-4.84	353.18	11	7	5	195.9	0	0.25	4.63	-
Target_lig_368	Neamine mimic_2	-4.88	352.2	11	7	5	201.69	0	0.25	4.72	-
Target_lig_369	Neamine mimic_3	-4.84	353.18	11	7	5	195.9	0	0.25	4.62	-
Target_lig_37	L-argininyl -L-Leucine	-1.02	287.2	4	5	9	156.82	0	0.21	2.97	152914
Target_lig_370	Neamine mimic_4	-4.84	353.18	11	7	5	195.9	0	0.25	4.63	-
Target_lig_371	Neamine mimic_5	-4.88	352.2	11	7	5	201.69	0	0.25	4.72	-
Target_lig_372	Neamine mimic_6	-4.88	352.2	11	7	5	201.69	0	0.25	4.72	-
Target_lig_373	Neamine mimic_7	-6.06	497.27	15	9	7	266.4	0	0.16	5.28	-
Target_lig_374	Neamine mimic_8	-6.41	484.24	15	9	8	260.61	0	0.16	5.08	-
Target_lig_375	Neamine mimic_9	-6.06	497.27	15	9	7	266.4	0	0.16	5.28	-
Target_lig_376	Paromomycin_mol derivative 1 16S A-site RNA	-8.88	658.34	20	13	12	362.34	0	0.09	5.64	-
Target_lig_377	Paromomycin_mol derivative 2 16S A-site RNA	-8.49	672.35	20	13	13	362.34	0	0.08	5.64	-
Target_lig_378	Paromomycin_mol derivative 3 16S A-site RNA	-7.24	706.34	20	12	12	349.21	1	0.1	5.6	-
Target_lig_379	Heterocyclic paromomycin derivative 1	-2.76	310.14	9	5	3	165.3	2	0.41	4.4	136861556
Target_lig_38	L-alpha -OH -Arginine	-1.51	175.1	3	4	5	121.93	0	0.23	2.89	92172231
Target_lig_380	Heterocyclic paromomycin derivative 2	-1.99	242.14	7	4	3	119.55	1	0.49	4.31	102462539
Target_lig_381	Heterocyclic paromomycin derivative 3	-2.6	243.13	8	4	3	132.44	1	0.46	4.5	102462543
Target_lig_382	Heterocyclic paromomycin derivative 4	-2.6	243.13	8	4	3	132.44	1	0.46	4.39	102462542
Target_lig_383	Quinolinyl_DOS_der	1.47	403.12	7	4	4	114.62	2	0.45	4.16	-
Target_lig_384	Quinolinyl_DOS_paromomycin_der_1	-2.31	695.24	16	9	10	264.27	2	0.09	5.43	-
Target_lig_385	Quinolinyl_DOS_paromomycin_der_2	1.43	503.22	9	5	11	141.67	2	0.17	4.36	-
Target_lig_386	Quinolinyl_DOS_paromomycin_der_3	1.43	503.22	9	5	11	141.67	2	0.17	4.37	11605808
Target_lig_387	Acyclic DOS mimic 1_biphenyl substituent	-0.05	417.23	8	5	9	146.21	2	0.38	3.85	-
Target_lig_388	Acyclic DOS mimic 2_naphthyl substituent	-0.57	391.21	8	5	8	146.21	2	0.4	3.97	-
Target_lig_389	Acyclic DOS mimic 3_benzyl substituent	-1.72	341.2	8	5	8	146.21	1	0.38	3.94	-
Target_lig_39	UREA	-0.98	60.03	1	2	0	69.11	0	0.37	1.93	1176
Target_lig_390	Piperidine_aminoglycoside_16S _A_site_RNA_mimic_1	-3.08	304.21	8	6	5	149.01	0	0.31	4.5	-
Target_lig_391	Piperidine_aminoglycoside_16S _A_site_RNA_mimic_2	-3.01	306.18	8	6	5	137.43	0	0.32	4.36	-
Target_lig_392	Piperidine_aminoglycoside_16S _A_site_RNA_mimic_3	-3.05	305.2	8	6	5	143.22	0	0.31	4.4	-
Target_lig_393	Piperidine_aminoglycoside_16S _A_site_RNA_mimic_4	-3.73	321.19	9	7	5	163.45	0	0.27	4.77	-
Target_lig_394	Piperidine_aminoglycoside_16S _A_site_RNA_mimic_5	-4.11	320.21	9	7	5	169.24	0	0.27	4.71	-
Target_lig_395	Azepane aminoglycoside mimic 1	-3.82	320.21	9	7	4	169.24	0	0.27	4.69	-
Target_lig_396	Azepane aminoglycoside mimic 3	-3.82	320.21	9	7	4	169.24	0	0.27	4.69	-
Target_lig_397	Diamino_piperidinyl_triazine_1	0.96	567.26	12	7	6	210.59	3	0.21	4.02	-
Target_lig_398	Diamino_piperidinyl_triazine_2	1.46	583.31	12	7	6	210.59	4	0.17	4.03	-
Target_lig_399	Diamino_piperidinyl_triazine_3	1.31	571.31	12	7	10	210.59	4	0.14	3.7	-
Target_lig_4	Neomycin	-8.9	614.31	19	13	9	353.11	0	0.11	5.54	4454
Target_lig_40	L-ORNITHINE	-0.86	132.09	3	3	4	89.34	0	0.46	2.56	6262
Target_lig_400	Benzimidazole derivative 1	2.18	146.08	1	1	0	28.68	2	0.61	2.18	675
Target_lig_401	Benzimidazole derivative 2	1.15	133.06	2	2	0	54.7	2	0.57	1.89	13624
Target_lig_402	Benzimidazole derivative 3	1.76	161.1	2	2	0	54.7	2	0.62	2.29	19017773
Target_lig_403	Benzimidazole derivative 4	1.76	161.1	2	2	0	54.7	2	0.62	2.21	93125
Target_lig_404	Benzimidazole derivative 5	1.76	161.1	2	2	0	54.7	2	0.62	2.26	19017763
Target_lig_405	2-Aminoquinolone derivative 1	1.82	144.07	2	1	0	38.91	2	0.61	1.67	11379
Target_lig_406	2-Aminoquinolone derivative 2	2.3	172.1	2	0	1	16.13	2	0.66	1.81	588801
Target_lig_407	2-Aminoquinolone derivative 3	2.28	158.08	2	1	1	24.92	2	0.69	1.73	12548157
Target_lig_408	2-Aminoquinolone derivative 4	2.13	158.08	2	1	0	38.91	2	0.64	1.81	231935
Target_lig_409	2-Aminoquinolone derivative 5	2.61	186.12	2	0	1	16.13	2	0.68	1.9	12199347
Target_lig_41	L-Canavanine	-2.01	176.09	4	4	5	136.95	0	0.17	3.22	439202
Target_lig_410	2-Aminoquinolone derivative 6	2.58	172.1	2	1	1	24.92	2	0.71	1.84	13042974
Target_lig_411	2-Aminopyridine derivative 1	0.45	137.1	3	2	3	50.94	1	0.64	1.97	410428
Target_lig_412	2-Aminopyridine derivative 2	0.76	151.11	3	2	3	50.94	1	0.67	2.08	12818865
Target_lig_413	2-Aminopyridine derivative 3	0.76	151.11	3	2	3	50.94	1	0.67	2.11	10034794
Target_lig_414	2-Aminopyridine derivative 4	0.76	151.11	3	2	3	50.94	1	0.67	2.08	13224296
Target_lig_415	2-Aminopyridine derivative 5	0.76	151.11	3	2	3	50.94	1	0.67	2.08	22118602
Target_lig_416	2-Aminopyridine derivative 6	0.36	182.08	5	2	4	94.08	1	0.52	2.24	122425
Target_lig_417	Benzimidazole 16S A-site RNA	1.61	216.14	3	3	1	66.73	2	0.63	2.4	44374805
Target_lig_418	Nitro substituted benzimidazole 16S A-site RNA	1.94	246.11	4	2	2	83.85	2	0.63	2.39	1530246
Target_lig_419	Halogen substituted benzimidazole	3.34	269.05	2	2	1	40.71	2	0.83	2.44	508378
Target_lig_42	L-citrulline	-1.15	175.1	3	4	5	118.44	0	0.39	2.56	9750
Target_lig_420	benzimidazole_analog_rRNA_1	2.07	246.11	4	2	2	97.84	2	0.63	3.14	44375184
Target_lig_421	benzimidazole_analog_rRNA_4	3.52	245.12	3	1	2	71.82	2	0.65	2.16	762907
Target_lig_422	benzimidazole_analog_rRNA_5	2.53	240.06	4	1	2	84.71	3	0.55	2.12	617535
Target_lig_423	benzimidazole_analog_rRNA_6	2.53	240.06	4	1	2	84.71	3	0.55	2.11	617536
Target_lig_424	benzimidazole_analog_rRNA_7	2.72	254.08	4	2	2	97.84	3	0.42	2.06	3089924
Target_lig_425	benzimidazole_analog_rRNA_8	2.72	254.08	4	2	2	97.84	3	0.42	2.12	44374814
Target_lig_426	benzimidazole_analog_rRNA_9	2.46	260.13	4	2	2	97.84	2	0.64	2.39	44375185
Target_lig_427	benzimidazole_analog_rRNA_10	0	0	-	-	-	0	-	0	0	-
Target_lig_428	benzimidazole_analog_rRNA_11	2.2	288.12	4	1	2	92.13	2	0.68	2.28	44374657
Target_lig_429	benzimidazole_analog_rRNA_12	2.28	260.13	4	1	2	75.06	2	0.66	2.28	9795161
Target_lig_43	Guanidinium	-2.98	60.06	0	3	0	77.63	0	0.21	4.52	32838
Target_lig_430	benzimidazole_analog_rRNA_13	2.04	231.14	3	2	2	49.94	2	0.83	2.22	24252556
Target_lig_431	benzimidazole_analog_rRNA_14	2.34	215.14	2	2	1	40.71	2	0.77	2.25	16876710
Target_lig_432	benzimidazole_analog_rRNA_15	2.79	279.04	2	2	1	40.71	2	0.84	2.35	44374626
Target_lig_433	benzimidazole_analog_rRNA_16	2.68	235.09	2	2	1	40.71	2	0.8	2.27	16767385
Target_lig_434	benzimidazole_analog_rRNA_17	3.05	269.11	2	2	1	40.71	2	0.84	2.39	44374979
Target_lig_435	benzimidazole_analog_rRNA_18	2.99	249.1	2	2	1	40.71	2	0.82	2.44	44374978
Target_lig_436	benzimidazole_analog_rRNA_20	2.03	201.13	2	2	1	40.71	2	0.74	2.15	715810
Target_lig_437	benzimidazole_analog_rRNA_21	1.42	202.12	3	2	1	53.6	2	0.74	2.51	22308651
Target_lig_438	benzimidazole_analog_rRNA_22	1.42	202.12	3	2	1	53.6	2	0.74	2.5	22308650
Target_lig_439	benzimidazole_analog_rRNA_23	0.82	203.12	4	2	1	66.49	2	0.72	2.76	44374953
Target_lig_44	Methyl Guanidinium	-3.03	74.07	0	3	0	66.01	0	0.21	5.08	7311729
Target_lig_440	benzimidazole_analog_rRNA_24	2.76	218.09	3	1	1	24.92	2	0.8	2.12	1477439
Target_lig_441	benzimidazole_analog_rRNA_25	5.88	427.08	3	1	3	29.85	3	0.57	2.44	44375167
Target_lig_442	benzimidazole_analog_rRNA_26	6.9	495.07	3	1	3	29.85	3	0.4	2.72	44375264
Target_lig_443	benzimidazole_analog_rRNA_27	5.55	449.05	3	1	3	29.85	3	0.32	2.82	44375263
Target_lig_444	benzimidazole_analog_rRNA_28	6.43	499.05	3	1	3	29.85	3	0.33	2.98	44375262
Target_lig_445	benzimidazole_analog_rRNA_29	4.77	404.08	5	1	4	72.99	3	0.5	2.42	508383
Target_lig_446	benzimidazole_analog_rRNA_30	4.65	417.1	5	1	4	56.15	3	0.63	2.34	44374772
Target_lig_447	benzimidazole_analog_rRNA_31	5.46	484.99	3	1	3	29.85	3	0.5	2.45	44375012
Target_lig_448	benzimidazole_analog_rRNA_32	5.46	484.99	3	1	3	29.85	3	0.5	2.51	44374771
Target_lig_449	benzimidazole_analog_rRNA_33	5.62	437.01	3	1	3	29.85	3	0.57	2.35	44375011
Target_lig_45	Ethyl Guanidinium	-2.64	88.09	0	3	1	66.01	0	0.24	5.12	6999068
Target_lig_450	benzimidazole_analog_rRNA_34	6.16	415.16	3	1	3	29.85	3	0.55	2.41	44375218
Target_lig_451	benzimidazole_analog_rRNA_35	4.25	360.09	4	1	3	42.74	3	0.76	2.43	508380
Target_lig_452	benzimidazole_analog_rRNA_36	4.25	360.09	4	1	3	42.74	3	0.76	2.43	508381
Target_lig_453	benzimidazole_analog_rRNA_37	4.61	325.11	3	1	4	29.85	2	0.89	2.4	44374604
Target_lig_454	benzimidazole_analog_rRNA_38	3.35	283.06	3	1	1	29.85	2	0.87	2.47	44374602
Target_lig_455	benzimidazole_analog_rRNA_39	2.98	341.07	5	1	3	56.15	2	0.87	2.47	44374756
Target_lig_456	benzimidazole_analog_rRNA_40	5.62	437.01	3	1	3	29.85	3	0.57	2.43	44374755
Target_lig_457	benzimidazole_analog_rRNA_41	6.73	449.03	4	1	3	29.85	4	0.37	2.67	44374832
Target_lig_458	benzimidazole_analog_rRNA_42	0	0	-	-	-	0	-	0	0	-
Target_lig_459	benzimidazole_analog_rRNA_43	0	0	-	-	-	0	-	0	0	-
Target_lig_46	Guanidinic Formic acid	-1.06	103.04	1	3	0	101.7	0	0.27	2.91	15590749
Target_lig_460	benzimidazole_analog_rRNA_44	3.65	361.09	5	1	3	55.63	3	0.77	2.63	-
Target_lig_461	benzimidazole_analog_rRNA_45	4.55	437.07	5	1	4	63.99	3	0.65	2.61	-
Target_lig_462	benzimidazole_analog_rRNA_46	4.72	417.1	5	1	4	56.15	3	0.49	2.45	-
Target_lig_463	benzimidazole_analog_rRNA_47	2.89	327.05	4	2	3	67.15	2	0.91	2.47	44374790
Target_lig_464	Ligand1 16S A-site RNA	3.94	364.19	4	2	4	68.66	2	0.64	2.5	-
Target_lig_465	Ligand2 16S A-site RNA	1.57	333.21	4	3	5	85.43	1	0.71	2.39	54682395
Target_lig_466	Ligand3 16S A-site RNA	2.77	288.22	3	1	6	24.5	1	0.81	2.66	1611271
Target_lig_467	Ligand4 16S A-site RNA	1.84	264.18	4	0	4	24.94	1	0.83	1.81	763014
Target_lig_468	Ligand5 16S A-site RNA	3.45	254.14	2	2	6	59.1	2	0.47	1.79	1716319
Target_lig_469	Ligand6 16S A-site RNA	1.84	329.17	4	3	5	85.43	2	0.73	2.1	54685835
Target_lig_47	Guanyl-Urea	-1.66	102.05	1	3	0	107.49	0	0.25	2.9	8859
Target_lig_470	triazole_linked_neomycin_dimer_1	-17.16	1372.68	43	24	24	736.41	2	0.05	7.6	-
Target_lig_471	triazole_linked_neomycin_dimer_2	-15.7	1432.72	42	24	24	727.18	3	0.04	7.74	-
Target_lig_472	triazole_linked_neomycin_dimer_3	-16.31	1384.72	42	24	25	727.18	2	0.04	7.59	-
Target_lig_473	5-(N,N)-dimethylamiloride	-0.81	257.08	5	3	2	136.51	1	0.47	3	1793
Target_lig_474	Phenothiazine 1	-0.52	266.14	6	1	3	78.67	1	0.59	4.1	-
Target_lig_475	Phenothiazine 2	4.58	373.14	4	0	4	9.72	2	0.78	2.21	4917
Target_lig_476	Phenothiazine 3	4.4	389.04	7	2	1	88.35	3	0.36	3.49	18730
Target_lig_477	Phenothiazine 4	3.56	318.09	4	2	2	66.76	3	0.71	2.3	4764
Target_lig_478	Phenothiazine 6	4.44	326.15	4	0	5	23.55	2	0.76	2.2	6077
Target_lig_479	Phenothiazine 7	3.68	312.09	2	2	0	65.72	5	0.43	2.12	13976
Target_lig_48	2-Guanidinio Succinic Acid	-1.81	175.06	3	4	4	139	0	0.29	3.18	97856
Target_lig_480	Phenothiazine 8	0	0	-	-	-	0	-	0	0	-
Target_lig_481	Phenothiazine 9	-0.55	338.14	7	2	2	117.97	0	0.65	5.03	-
Target_lig_482	Phenothiazine 10	4.89	318.1	3	0	4	6.48	2	0.79	2.14	2726
Target_lig_483	Bis-guanidinylated ligand 1	-0.51	351.24	5	5	12	159.29	1	0.19	2.49	448945
Target_lig_484	Bis-guanidinylated ligand 2	0.3	365.25	5	7	13	154.29	1	0.15	2.43	-
Target_lig_485	Bis-guanidinylated ligand 3	-0.12	365.25	5	5	13	159.29	1	0.18	2.46	516505
Target_lig_486	Bis-guanidinylated ligand 4	-0.51	351.24	5	5	12	159.29	1	0.19	2.45	142104300
Target_lig_487	Bis-guanidinylated ligand 5	0.57	323.23	5	4	12	120.91	1	0.25	2.27	516506
Target_lig_488	Bis-guanidinylated ligand 6	-0.48	337.22	5	7	11	154.29	1	0.16	2.41	-
Target_lig_489	Biaryl ligand 1	2.36	453.23	5	5	12	150.06	3	0.16	2.7	516511
Target_lig_49	creatine	-1.1	131.07	2	3	2	90.41	0	0.33	2.59	586
Target_lig_490	Biaryl ligand 2	1.9	437.25	5	5	12	163.2	3	0.16	2.66	516510
Target_lig_491	Biaryl ligand 3	3.38	419.27	4	4	12	111.68	3	0.2	2.35	516508
Target_lig_492	Biaryl ligand 4	1.21	403.22	5	5	12	150.06	2	0.2	2.64	516509
Target_lig_493	Biaryl ligand 5	2.56	407.27	5	4	10	78.34	3	0.39	2.52	448939
Target_lig_494	6_aminoquinolone_der_1	0	0	-	-	-	0	-	0	0	-
Target_lig_495	guanidinoneomycin_B	-11.75	866.44	19	25	15	568.39	0	0.05	6.35	-
Target_lig_496	doxorubicin	0	543.17	12	6	5	206.07	2	0.24	4.49	31703
Target_lig_497	ethylquinoline_carboxamide derivative	4.55	1206.55	14	8	29	293.04	6	0.02	5.45	-
Target_lig_498	methylpiperazine derivative	2.5	342.14	6	0	2	49.56	3	0.72	2.33	318119
Target_lig_499	methyl_carbamate derivative	0.75	331.12	7	1	3	103.63	1	0.82	4.27	10246117
Target_lig_5	Paromomycin I	-8.86	615.3	19	13	9	347.32	0	0.11	5.51	4689
Target_lig_50	creatinine	-1.23	113.06	3	1	0	58.69	0	0.43	3.15	588
Target_lig_500	dimethylamine_derivative	1.75	343.24	6	1	4	45.56	2	0.92	4.08	-
Target_lig_501	benzamide derivative_2	-0.86	417.25	6	6	8	180.42	1	0.14	3.46	-
Target_lig_502	Thiamine_mol	0.61	265.11	5	2	4	75.91	2	0.79	3.22	1130
Target_lig_503	Pyrithiamine_mol	-1.87	418	4	2	4	75.91	2	0.57	3.28	10802
Target_lig_504	Pyrithiamine _Pyrophosphate_der	0	0	-	-	-	0	-	0	0	-
Target_lig_505	Roseoflavin	-1.97	405.16	10	5	6	164.8	1	0.29	3.96	170973
Target_lig_506	L-4 L_4_Oxalysine	-1.63	148.08	4	3	5	98.57	0	0.41	2.87	160555
Target_lig_507	AEC	0.2	129.08	2	2	2	63.32	0	0.56	3.75	133485
Target_lig_508	L-3-[(2-AMINOETHYL)-SULFONYL]-ALANINE	-5	197.06	4	2	5	129.55	0	0.46	5.69	11948926
Target_lig_509	DL-TRANS-2,6-DIAMINO-4-HEXENOIC ACID	-3.47	145.1	2	2	4	95.41	0	0.4	6.23	11948929
Target_lig_51	3-guanidinic propionic acid	-1.27	131.07	2	3	3	101.7	0	0.33	2.4	67701
Target_lig_510	phenylacetate derivative	2.07	409.2	6	1	7	71.11	2	0.71	3.09	24821056
Target_lig_511	methyl N-(4-acetylphenyl)carbamate derivative	2.74	452.21	7	2	7	100.21	2	0.62	3.18	24821057
Target_lig_512	hexanamide derivative_1	-0.44	1098.5	18	10	31	356.22	2	0.03	5.2	-
Target_lig_513	hexanamide derivative_3	2.33	1168.6	16	10	33	345.08	4	0.02	5.48	25228085
Target_lig_514	butanediamide derivative_1	0.69	1185.59	17	12	36	396.96	4	0.02	5.57	-
Target_lig_515	hexanamide derivative_2	0.94	1133.55	17	10	32	350.65	3	0.03	5.41	-
Target_lig_516	triazine-2,4,6-triamine derivative	3.7	438.17	9	4	8	136.89	4	0.24	2.52	71511622
Target_lig_517	carboximidamide derivative	3.99	339.19	4	3	10	92.18	2	0.35	2.11	58586324
Target_lig_518	pent-4-ynamide derivative	-6.72	564.26	15	11	9	285.69	0	0.12	5.24	-
Target_lig_519	phenoxy_butanamide	4.52	594.32	8	4	12	152.91	5	0.07	3.08	-
Target_lig_52	4-guanidinic butyric acid	-0.88	145.09	2	3	4	101.7	0	0.27	2.21	500
Target_lig_520	acridine-4-carboxamide-derivative	2.66	517.29	10	5	11	170.33	4	0.15	2.82	-
Target_lig_521	N-propylbutanamide derivative	5.21	551.3	6	3	10	102.17	5	0.21	2.68	134332907
Target_lig_522	butanamide derivative_1	7.4	1773.96	25	7	46	413.64	12	0.02	6.07	-
Target_lig_523	pentanamide derivative_1	-5.94	568.3	15	11	10	285.69	0	0.12	5.04	-
Target_lig_524	pentanamide derivative_2	-13.74	1693.91	41	23	44	740.06	2	0.03	6.11	-
Target_lig_525	pentanamide derivative_5	-12.08	1864.02	43	23	48	780.68	2	0.03	7.64	-
Target_lig_526	Neocarzinostatin_chromophore_derivative_4	2.49	541.21	8	4	4	131.47	3	0.37	5.36	-
Target_lig_527	HTP 20	0.95	769.4	10	11	20	292.56	4	0.03	4.07	-
Target_lig_528	HTP 21	1.96	685.37	10	9	19	253.6	4	0.05	3.85	-
Target_lig_529	Diphenylfuran _analog_1	3.93	474.31	5	2	12	96.38	3	0.24	2.74	457674
Target_lig_53	5-guanidinic valeric acid	-0.49	159.1	2	3	5	101.7	0	0.29	2.12	160464
Target_lig_530	Diphenylfuran _analog_2	6.25	334.2	3	2	6	37.2	3	0.56	2.04	473608
Target_lig_531	Diphenylfuran _analog_3	3.32	475.31	6	2	12	109.27	3	0.24	2.82	485983
Target_lig_532	Diphenylfuran _analog_4	4.4	490.29	5	2	12	83.24	3	0.22	2.76	485984
Target_lig_533	Diphenylfuran _analog_5	3.12	486.32	6	2	12	109.02	3	0.23	2.76	485982
Target_lig_534	Diphenylfuran _analog_6	3.66	473.33	4	3	12	99.03	3	0.21	2.84	473615
Target_lig_535	Diphenylfuran _analog_7	3.8	514.32	6	3	12	125.06	4	0.15	3	460172
Target_lig_536	Neomycin-acridine conjugated aminoglycoside1	-4.34	850.39	21	13	14	357.8	3	0.05	5.85	-
Target_lig_537	Neomycin-acridine conjugated aminoglycoside2	-5.07	790.39	20	13	11	357.8	3	0.08	5.72	-
Target_lig_538	Neomycin-acridine conjugated aminoglycoside3	-3.61	910.39	22	13	17	357.8	3	0.05	5.99	-
Target_lig_539	Kanamycin A-acridine conjugate	-3.47	660.31	16	11	8	287.3	3	0.1	5.16	-
Target_lig_54	6-guanidinic caproic acid	-0.1	173.12	2	3	6	101.7	0	0.3	2.09	81176
Target_lig_540	Tobramycin-acridine conjugate	-2.47	643.33	15	10	8	272.86	3	0.11	5.19	-
Target_lig_541	Dimeric naphthyridine derivative	2.73	486.25	8	4	11	133.82	4	0.24	2.79	44391261
Target_lig_542	Monomeric derivative of naphthyridine	1.23	230.12	4	2	3	80.9	2	0.83	2.27	44391394
Target_lig_543	Oxazolidinone 2	4.42	431.17	5	0	8	65.07	3	0.49	3.02	44413266
Target_lig_544	Oxazolidinone 6	2.49	325.13	4	1	6	64.63	2	0.83	2.93	16007206
Target_lig_545	DOS	-2.87	162.1	5	5	0	112.73	0	0.26	3.93	203443
Target_lig_546	DOS_der_1	-0.78	490.37	10	8	15	203.46	0	0.13	4.39	-
Target_lig_547	DOS_der_2	-1.2	530.31	10	8	9	203.46	2	0.19	4.32	-
Target_lig_548	DOS_der_3	0	0	-	-	-	0	-	0	0	-
Target_lig_549	DOS_der_4	0.63	386.22	6	5	7	121.96	2	0.48	3.52	-
Target_lig_55	L-2-Amino-3-guanidinic propionic acid	-2.33	146.08	3	4	3	127.72	0	0.26	3.2	160635
Target_lig_550	2,4,5,6-tetraaminoquinozaline	-0.04	190.1	6	4	0	129.86	2	0.43	2.56	471148
Target_lig_551	D_Adenosine	-1.98	267.1	9	4	2	139.54	2	0.49	3.53	60961
Target_lig_552	3-O-methyl-D-Adenosine	-1.33	281.11	9	3	3	128.54	2	0.63	3.66	82530
Target_lig_553	D-guanosine	-2.69	283.09	9	5	2	159.51	2	0.4	3.72	135398635
Target_lig_554	3-deoxy-D-Adenosine	-0.95	251.1	8	3	2	119.31	2	0.63	3.63	6303
Target_lig_555	2-deoxy-D-Adenosine	-0.95	251.1	8	3	2	119.31	2	0.63	3.48	13730
Target_lig_556	D-uridine	-2.85	244.07	7	4	2	124.78	1	0.44	3.48	6029
Target_lig_557	D-adenosine triphosphate	-1.63	507	14	7	8	279.13	2	0.2	4.41	5957
Target_lig_558	D-Cytidine	-2.56	243.09	8	4	2	130.83	1	0.45	3.55	6175
Target_lig_559	2-O-methyl-D-Adenosine	-1.33	281.11	9	3	3	128.54	2	0.63	3.64	102213
Target_lig_56	L-2-Amino-4-guanidinic butyric acid	-1.94	160.1	3	4	4	127.72	0	0.28	2.97	435719
Target_lig_560	L_Adenosine	-1.98	267.1	9	4	2	139.54	2	0.49	3.53	448374
Target_lig_561	biotin dimer	0.33	598.31	8	8	19	172.48	0	0.1	5	-
Target_lig_562	biotin PEO Amine	-0.36	373.21	6	5	13	121.49	0	0.28	4.08	-
Target_lig_563	MBNL CCUG ligand 3	4.02	437.17	8	4	7	137.99	4	0.25	2.61	-
Target_lig_564	disulfide_der_0	6.89	1290.64	14	8	35	293.04	6	0.01	5.69	-
Target_lig_565	disulfide_der_1	4.55	1206.55	14	8	29	293.04	6	0.02	5.5	-
Target_lig_566	disulfide_der_2	4.05	1178.52	14	8	27	293.04	6	0.03	5.37	-
Target_lig_567	disulfide_der_3	3.43	1150.49	14	8	27	293.04	6	0.03	5.29	-
Target_lig_568	disulfide_der_6	4.01	1294.53	18	8	29	329.96	6	0.02	5.87	-
Target_lig_569	disulfide_der_7	3.72	1370.56	18	8	29	361.32	4	0.03	6.71	-
Target_lig_57	L-homoarginine	-1.16	188.13	3	4	6	127.72	0	0.24	2.75	9085
Target_lig_570	carba_der	2.66	598.33	6	4	14	146.52	3	0.17	3.62	-
Target_lig_571	dicarba_analog_1	4.51	1168.62	12	8	28	293.04	6	0.02	5.49	-
Target_lig_572	dicarba_analog_2	4.73	1170.64	12	8	29	293.04	6	0.03	5.39	-
Target_lig_573	quinoline_der	2.5	201.08	2	1	2	50.19	2	0.81	1.86	17933414
Target_lig_574	Ruthenium_der	14.41	843.3	1	0	8	3.24	3	0.12	4.54	-
Target_lig_575	NSC54101	0.8	352.19	10	0	5	93.68	4	0.52	2.9	243877
Target_lig_576	NSC18613	-1.22	376.12	1	1	4	12.03	1	0.51	4.12	5351688
Target_lig_577	NSC252359	2.5	342.14	6	0	2	49.56	3	0.72	2.33	318119
Target_lig_578	NSC11936	-1.09	281.15	8	0	4	74.29	2	0.71	2.6	408205
Target_lig_579	NSC123111	0.75	331.12	7	1	3	103.63	1	0.82	4.27	10246117
Target_lig_58	L-2-Hydroxy-5-Guanidic valericacid	-1.51	175.1	3	4	5	121.93	0	0.23	2.89	92172231
Target_lig_580	NSC154020	-1.89	320.12	10	4	2	142.25	2	0.5	4.21	290486
Target_lig_581	NSC121848	-0.57	395.07	4	4	2	80.92	2	0.41	3.54	5351989
Target_lig_582	NSC657704	1.97	376.07	6	2	2	113.01	2	0.27	2.97	5459242
Target_lig_583	NSC61809	1.06	318.17	4	1	4	59.06	1	0.51	4.82	4120
Target_lig_584	acridine_new_derv	5.56	476.2	6	2	5	60.86	4	0.29	2.48	-
Target_lig_585	racemic_oxazolidinones	2.07	409.2	6	1	7	71.11	2	0.71	3.09	-
Target_lig_586	racemic_oxazolidinones_2	2.74	452.21	7	2	7	100.21	2	0.62	3.18	-
Target_lig_587	Pubchem26532231	2.02	295.03	6	1	3	61.55	1	0.68	3.18	2796938
Target_lig_588	Pubchem26533388	2.76	293.07	5	0	2	57.12	2	0.63	2.38	222981
Target_lig_589	Pubchem26541579	2.73	237.1	4	0	5	61.6	1	0.58	2.16	616962
Target_lig_59	N_Benzoyl-L-Arginine Ethyl Ester	0.4	306.17	4	3	8	119.8	1	0.28	2.42	123880
Target_lig_590	Pubchem26529289	2.05	207.05	4	0	2	61.6	1	0.55	2.43	226317
Target_lig_591	Pubchem26540561	4.65	442.97	7	1	4	85.13	2	0.32	2.89	2747659
Target_lig_592	Bis amidophenyl furans derivative 1	3.93	474.31	5	2	12	96.38	3	0.24	2.82	485809
Target_lig_593	Bis amidophenyl furans derivative 2	5.91	530.37	5	4	16	91.38	3	0.11	3.12	-
Target_lig_594	Bis amidophenyl furans derivative 3	4.71	502.34	5	2	14	96.38	3	0.19	2.85	485987
Target_lig_595	Bis amidophenyl furans derivative 4	6.27	558.4	5	2	18	96.38	3	0.11	2.92	54250194
Target_lig_596	Bis amidophenyl furans derivative 5	4.48	360.2	3	4	6	84.9	3	0.39	2.89	-
Target_lig_597	Bisamidophenyl thiophene derivative 2	4.26	502.25	6	4	8	87.47	3	0.27	3.12	-
Target_lig_598	Bisamidophenyl thiophene derivative 3	6.27	556.33	5	4	11	78.24	3	0.13	3.55	-
Target_lig_599	Bisamidophenyl thiophene derivative 6	5.88	542.32	5	4	10	78.24	3	0.19	3.96	-
Target_lig_6	Ethidium bromide	-6.3	467.26	14	10	6	268.17	0	0.17	5.14	5496
Target_lig_60	N-Acetyl-L-arginine	-1.37	216.12	3	4	6	130.8	0	0.25	2.6	67427
Target_lig_600	Bisamidophenyl thiophene derivative 7	5.96	546.35	5	2	16	83.24	3	0.13	2.96	54219182
Target_lig_601	Bisamidophenyl thiophene derivative 8	7.44	598.38	5	4	12	78.24	3	0.1	3.91	-
Target_lig_602	Bisamidophenyl thiophene derivative 9	5.99	522.26	5	4	9	87.89	4	0.16	3.55	-
Target_lig_603	Bisamidophenyl thiophene derivative 10	6.24	524.27	5	4	12	87.89	4	0.1	3.05	-
Target_lig_604	Bisamidophenyl thiophene derivative 11	6.13	544.33	5	4	13	78.24	3	0.12	3.64	-
Target_lig_605	SL3 RNA_ligand1	1.94	461.21	8	3	8	121.71	4	0.27	3.1	98128260
Target_lig_606	SL3 RNA_ligand3	2.77	254.05	3	1	1	55.45	2	0.8	2.16	1224675
Target_lig_607	SL3 RNA_ligand4	3.29	294.07	6	1	6	73.63	2	0.65	2.14	784311
Target_lig_608	SL3 RNA_ligand5	2.19	254.05	2	2	1	41.13	2	0.61	2.27	677488
Target_lig_609	SL3 RNA_ligand6	3.55	394.05	2	1	5	45.34	3	0.4	2.26	5509111
Target_lig_61	deoxy Guanosine	-1.66	267.1	8	4	2	139.28	2	0.51	3.67	135398592
Target_lig_610	SL3 RNA_ligand7	2.51	190.15	2	1	1	29.26	1	0.69	1.75	605442
Target_lig_611	SL3 RNA_ligand8	2.76	228.13	3	2	5	47.28	2	0.61	1.6	2295787
Target_lig_612	SL3 RNA_ligand9	2.23	250.04	5	1	4	76.26	2	0.51	2.4	2847027
Target_lig_613	SL3 RNA_ligand10	1.97	376.07	6	2	2	113.01	2	0.27	2.97	5771709
Target_lig_614	SL3 RNA_ligand11	1.68	473.04	8	4	4	186.72	3	0.25	2.49	3356666
Target_lig_615	SL3 RNA_ligand12	0.24	328.14	6	4	6	98.66	1	0.6	3.83	-
Target_lig_616	SL3 RNA_ligand13	0.18	341.15	7	3	4	112.48	3	0.59	2.66	2938622
Target_lig_617	SL3 RNA_ligand14	0.94	473.22	9	2	6	117.61	4	0.4	2.74	1309471
Target_lig_618	SL3 RNA_ligand15	1	436.22	8	1	3	95.93	3	0.62	3.2	1281474
Target_lig_619	SL3 RNA_ligand16	3.71	492.09	7	2	3	106.23	5	0.13	2.73	1341957
Target_lig_62	dideoxy Guanosine	-0.63	251.1	7	3	2	119.05	2	0.65	3.57	135463029
Target_lig_620	SL3 RNA_ligand17	4.95	407.16	4	0	4	9.72	2	0.71	2.35	5566
Target_lig_621	ligand 3-3	-0.44	1098.5	18	10	31	356.22	2	0.03	5.2	-
Target_lig_622	ligand 4-4	2.33	1168.6	16	10	33	345.08	4	0.02	5.48	-
Target_lig_623	ligand 2-4	0.69	1185.59	17	12	36	396.96	4	0.02	5.57	-
Target_lig_624	ligand 3-4	0.94	1133.55	17	10	32	350.65	3	0.03	5.41	-
Target_lig_625	Triptycene 1	-1.44	689.47	3	9	18	253.14	3	0.05	6.1	-
Target_lig_626	Triptycene 2	-7.35	773.49	3	15	18	361.14	3	0.02	6.19	-
Target_lig_627	Targaprimir-96	6.69	1392.83	15	7	31	283.69	9	0.02	5.66	-
Target_lig_628	2-AU-2	-1.9	1183.63	13	10	32	382.21	8	0.01	5	-
Target_lig_629	Bisamidinium 6	-4.36	495.32	9	10	10	284.17	3	0.07	4.26	-
Target_lig_63	Streptomycin	-8.16	581.27	15	12	9	336.43	0	0.07	5.68	5297
Target_lig_630	Bisamidinium 8	-3.58	523.35	9	10	12	284.17	3	0.06	4.21	-
Target_lig_631	Bisamidinium 10	-4.36	495.32	9	10	10	284.17	3	0.07	4.3	-
Target_lig_632	Bisamidinium 11	-3.58	523.35	9	10	12	284.17	3	0.06	4.25	-
Target_lig_633	2H-3	4.76	1690.93	22	10	44	404.52	12	0.02	6.32	-
Target_lig_634	2H-4	5	1789.99	23	10	48	424.83	12	0.02	6.55	-
Target_lig_635	2H-5	5.24	1889.06	24	10	52	445.14	12	0.02	6.79	-
Target_lig_636	2H-6	5.48	1988.13	25	10	56	465.45	12	0.02	7.04	-
Target_lig_637	2HE-5NMe	3.35	1325.7	15	6	26	322.78	10	0.03	6.81	-
Target_lig_638	2H-3G	3.13	1217.6	13	11	25	294.04	10	0.04	4.88	-
Target_lig_639	2H-3NMe	5.32	1301.7	13	8	25	267.67	10	0.03	6.15	-
Target_lig_64	Argininamide	-2.15	173.13	3	4	5	133.51	0	0.21	2.9	2234
Target_lig_640	2H-3NPr	7.66	1385.79	13	8	31	267.67	10	0.02	6.37	-
Target_lig_641	2H-K4	6.76	1527.86	15	9	39	331.07	10	0.02	6.2	-
Target_lig_642	2H-K4NH	3.82	1415.74	15	13	31	366.23	10	0.03	6.5	-
Target_lig_643	2H-K4NMe	5.19	1471.8	15	9	31	331.07	10	0.03	6.85	-
Target_lig_644	2H-K4NMeS	5.49	1485.82	15	7	31	313.49	10	0.03	6.77	-
Target_lig_645	2H-K4NPr	8.31	1583.93	15	9	39	331.07	10	0.02	7.15	-
Target_lig_646	Acridine 1	-0.96	634.42	8	8	20	221.58	4	0.04	4.85	-
Target_lig_647	Acridine 5	-1.6	550.36	8	7	15	217.78	4	0.07	4.59	-
Target_lig_648	Acridine 9	0.53	994.6	14	12	28	351.74	8	0.02	5.61	-
Target_lig_649	Bisamidinium 2	-4.8	526.34	10	10	14	283.22	3	0.05	4.68	-
Target_lig_65	ATP	-1.63	507	14	7	8	279.13	2	0.2	4.41	238
Target_lig_650	Bisamidinium 2a	-9.33	1174.76	22	20	36	570.42	7	0.01	6.13	-
Target_lig_651	Bisamidinium 9	-9.57	788.63	12	14	30	372.28	3	0.02	5.59	-
Target_lig_652	DCC 4 (2012)	1.72	1234.74	10	10	32	351.56	6	0.02	6.28	-
Target_lig_653	DCC 11 (2012)	3.28	1290.8	10	10	36	351.56	6	0.02	6.32	-
Target_lig_654	Compound 4E	6.75	1326.73	10	4	28	261.12	8	0.02	6.36	-
Target_lig_655	DCC 5 (2012)	5.38	1270.67	10	8	28	296.28	8	0.02	5.98	-
Target_lig_656	S-Amino acid conjugate 13b	-2.65	579.33	6	8	17	239.85	2	0.09	4.94	-
Target_lig_657	S-Amino acid conjugate 14b	-6.58	635.34	6	12	17	311.85	2	0.04	4.97	-
Target_lig_658	DCC 3 (2017)	4.27	1325.69	13	8	29	326.99	9	0.02	6.17	-
Target_lig_659	DCC 4 (2017)	4.95	1353.72	13	6	29	309.41	9	0.03	6.42	-
Target_lig_66	AMP	-1.86	347.06	10	5	4	186.07	2	0.39	3.8	224
Target_lig_660	DCC 5 (2017)	4.95	1353.72	13	6	29	309.41	9	0.03	6.42	-
Target_lig_661	DCC 7 (2017)	5.64	1381.75	13	4	29	291.83	9	0.03	6.54	-
Target_lig_662	5FDQD	3.16	391.16	5	0	4	78.95	2	0.5	3.57	-
Target_lig_663	Ribocil-B	2.71	382.16	7	2	5	86.8	3	0.71	3.22	135567058
Target_lig_664	Ribocil-C	2.85	419.15	8	1	5	92.59	4	0.53	3.42	136981150
Target_lig_665	2-Amino-N6-Hydroxyadenine	-0.26	166.06	6	4	1	112.74	2	0.43	3.03	101513
Target_lig_666	Chelerythrine	3.72	348.12	4	0	2	40.8	4	0.41	2.69	2703
Target_lig_667	Dequalinium	6.17	456.32	2	2	11	59.8	4	0.21	2.92	2993
Target_lig_668	Harmane	3.02	182.08	1	1	0	28.68	3	0.57	2.02	5281404
Target_lig_669	Staurosporine	4.35	466.2	6	2	2	69.45	5	0.41	4.95	44259
Target_lig_67	FAD	-2.42	785.16	21	9	13	362.93	3	0.04	5.27	703
Target_lig_670	Methylquinolinium 15	4.32	285.14	0	1	2	19.67	4	0.53	2.62	118736721
Target_lig_671	Methylquinolinium 16	5.96	363.19	1	0	3	8.81	5	0.35	2.49	71699739
Target_lig_672	Methylquinolinium 22	2.01	430.27	3	1	4	24.03	3	0.64	3.46	-
Target_lig_673	Methylquinolinium 23	2.65	384.23	1	2	3	27.35	4	0.52	3.68	-
Target_lig_674	Methylquinolinium 24	4.3	462.28	2	1	4	16.49	5	0.39	3.48	-
Target_lig_675	Compound 1	0.85	277.14	2	4	2	67.81	3	0.52	3.33	-
Target_lig_676	Compound 2	0.51	370.19	1	6	5	131.04	4	0.23	3.02	-
Target_lig_677	Compound 4	4.81	476.23	4	4	6	86.94	5	0.21	2.8	150137
Target_lig_678	Benzimidazole 1 (2014)	6.55	588.39	6	2	11	122.25	3	0.11	3.11	72699186
Target_lig_679	D6	-3.12	314.15	2	6	4	158.32	2	0.15	3.92	118724998
Target_lig_68	FMN	-1.61	456.1	10	6	7	208.09	1	0.18	4.03	710
Target_lig_680	Hydroxyellipticine 1a	3.15	375.23	1	3	3	44.34	4	0.47	3.9	-
Target_lig_681	Benzimidazole 1 (2015)	3.43	366.11	6	2	6	143.64	4	0.39	2.53	3096126
Target_lig_682	Benzimidazole 16 (2015)	4.92	412.12	5	3	5	113.16	5	0.38	2.23	3149812
Target_lig_683	Benzimidazole 17 (2015)	6.4	413.09	3	2	4	70.92	5	0.36	2.04	1112705
Target_lig_684	H1	5.6	416.17	4	4	3	109.4	6	0.28	2.43	4644404
Target_lig_685	Lomofungin	-0.06	314.05	7	3	1	129.58	3	0.42	3.26	135426834
Target_lig_686	Naphthyridine 2	1.87	323.19	7	2	2	108.09	2	0.87	2.7	2997948
Target_lig_687	p7	3.12	336.1	4	2	4	83.98	3	0.77	1.85	1449504
Target_lig_688	IRAB	-1.04	318.23	3	3	6	67.11	3	0.54	5.26	-
Target_lig_689	Benzimidazole 10	-0.86	333.25	4	3	7	47.96	2	0.58	4.88	-
Target_lig_69	ADENOSINE	-1.98	267.1	9	4	2	139.54	2	0.49	3.53	191
Target_lig_690	Benzimidazole 11 / Isis-11	-1.59	334.26	3	3	7	63.2	2	0.57	5.71	-
Target_lig_691	Benzimidazole 12	-1.73	334.26	3	3	6	63.2	2	0.59	5.67	-
Target_lig_692	Isis-22	-1.91	332.24	3	3	4	49.21	2	0.61	6.14	-
Target_lig_693	DB213	-5.67	336.3	0	6	10	88.86	1	0.15	5.54	53245673
Target_lig_694	Clomiphene	5.15	406.19	1	1	9	13.67	3	0.49	2.93	1548952
Target_lig_695	Cyproheptadine	3.28	288.17	0	1	0	4.44	2	0.65	3.4	4141783
Target_lig_696	DB60	-0.53	358.18	3	4	4	65.14	3	0.51	3.91	90683503
Target_lig_697	DB75	-0.46	306.15	1	4	4	116.36	3	0.39	2.97	3471142
Target_lig_698	S-Amino acid conjugate 1b	0.73	363.17	4	4	8	126.37	2	0.52	3.65	-
Target_lig_699	S-Amino acid conjugate 3b	1.28	371.13	5	4	6	127.41	3	0.52	3.42	-
Target_lig_7	Kanamycin A	-7.29	484.24	15	11	6	282.61	0	0.17	5.05	815
Target_lig_70	riboflavin	-1.72	376.14	9	5	5	161.56	1	0.33	3.79	1072
Target_lig_700	ST4133609	4.46	351.07	4	2	2	68.01	3	0.72	2.2	16762254
Target_lig_701	DPQ	-0.39	290.16	6	2	3	90.11	2	0.8	3.26	5212112
Target_lig_702	DPQ6	0.71	346.19	6	1	4	95.06	2	0.88	3.19	-
Target_lig_703	DPQ7	0.95	360.2	6	1	4	95.06	2	0.87	3.2	-
Target_lig_704	DPQ8	1.1	360.2	6	1	5	95.06	2	0.86	3.15	-
Target_lig_705	DPQ10	0.71	358.19	6	1	4	95.06	2	0.86	3.15	-
Target_lig_706	Compound 43 (MTDB)	3.37	402.17	6	1	5	74.77	2	0.78	2.15	23850430
Target_lig_707	Compound 1 (2017)	5.34	581.35	8	2	13	85.86	4	0.22	2.57	131704486
Target_lig_708	Targaprimir-18a	6.8	665.43	5	3	12	123.45	4	0.07	3.73	-
Target_lig_709	Targaprimir-210	5.5	592.3	7	3	12	150.93	5	0.08	2.99	44221088
Target_lig_71	NMN	-2.83	334.06	7	4	5	166.25	1	0.33	4.57	4661174
Target_lig_710	Compound 2ab	-2.15	392.26	3	4	8	149.4	1	0.3	4.54	-
Target_lig_711	p-Terphenyl 6b	0.49	480.34	2	5	11	140.02	3	0.27	4.3	-
Target_lig_712	Phenylquinolone 5	2.63	392.23	4	2	6	61.69	3	0.5	3.4	-
Target_lig_713	Phenylquinolone 6	1.39	407.24	5	2	6	64.93	3	0.48	3.25	-
Target_lig_714	Guanine Analog 25f	1.39	233.13	4	3	2	86.46	2	0.73	2.7	136994297
Target_lig_715	EBAB	-1.86	298.19	2	6	7	127.28	2	0.2	3.02	-
Target_lig_716	DB1246	-0.41	374.15	4	4	5	155.28	4	0.27	3.49	-
Target_lig_717	DB1247	0.53	406.1	4	4	5	129	4	0.28	3.44	-
Target_lig_718	Myricetin	1.69	318.04	8	6	1	151.59	3	0.37	2.73	5281672
Target_lig_719	Anthrafurandione 2a	0.52	366.17	5	4	6	126.62	3	0.37	3.71	-
Target_lig_72	cyanocobalamine	3.41	1354.57	20	9	26	488.71	2	0.05	8.35	184933
Target_lig_720	Anthrathiophenedione 2b	0.98	382.15	5	4	6	113.48	3	0.37	3.66	-
Target_lig_721	PK4C9	3.54	370.11	4	4	4	114.63	5	0.36	2.76	11326167
Target_lig_722	SMN-C2	2.23	418.22	6	1	3	68.08	4	0.52	4.37	-
Target_lig_723	Quindoline CK1-14	3.22	442.25	5	2	7	74.46	5	0.41	4.19	-
Target_lig_724	Topotecan	1.27	422.17	7	2	3	106.14	3	0.48	4.26	101379276
Target_lig_725	Aniline_analog_1	6.1	485.99	3	2	5	37.19	4	0.36	2.68	2836189
Target_lig_726	Aniline_analog_2	5.8	501.99	4	2	6	46.42	4	0.35	2.66	2836197
Target_lig_727	Aniline_analog_3	5.81	532	5	2	7	55.65	4	0.31	2.78	2858492
Target_lig_728	Aniline_analog_4	5.81	532	5	2	7	55.65	4	0.31	2.75	72696479
Target_lig_729	Aniline_analog_5	5.59	517	5	2	7	59.31	4	0.33	2.92	-
Target_lig_73	cobinamide dicyanide	2.71	1041.5	13	8	20	406.63	0	0.08	7.31	6450878
Target_lig_730	Aniline_analog_6	6.58	530.02	4	2	8	46.42	4	0.27	2.74	-
Target_lig_731	Aniline_analog_7	5.63	557.03	5	2	6	49.66	4	0.32	2.86	-
Target_lig_732	Aniline_analog_8	6.75	519.96	3	2	5	37.19	4	0.3	2.79	5189252
Target_lig_733	Aniline_analog_9	6.84	549.97	4	2	7	46.42	4	0.26	2.8	-
Target_lig_734	Aniline_analog_10	5.79	471.98	3	2	5	37.19	4	0.38	2.62	2836187
Target_lig_735	Aniline_analog_11	6.45	505.94	3	2	5	37.19	4	0.33	2.72	3103960
Target_lig_736	Aniline_analog_12	6.95	521.99	3	2	5	37.19	5	0.26	2.73	-
Target_lig_737	Aniline_analog_13	6.19	516	4	2	7	46.42	4	0.31	2.7	2836209
Target_lig_738	Aniline_analog_14	6.41	500.01	3	2	5	37.19	4	0.33	2.74	3112587
Target_lig_739	Carbazole_analog_17	4.27	316.16	3	2	5	37.19	4	0.58	2.32	2836185
Target_lig_74	tetracyclin	-0.37	444.15	9	6	2	181.62	1	0.33	4.25	54685734
Target_lig_740	Carbazole_analog_18	5.43	438.09	4	2	7	46.42	4	0.4	2.56	23794243
Target_lig_741	Carbazole_analog_19	4.87	479.12	5	2	6	49.66	4	0.41	2.73	-
Target_lig_742	Carbazole_analog_20	6.19	516	4	2	7	46.42	4	0.31	2.75	-
Target_lig_743	Carbazole_analog_21	5.63	557.03	5	2	6	49.66	4	0.32	2.9	-
Target_lig_744	Carbazole_analog_22	6.1	485.99	3	2	5	37.19	4	0.36	2.73	-
Target_lig_745	Carbazole_analog_23	5.97	428.11	4	2	7	46.42	4	0.38	2.62	2836208
Target_lig_746	Carbazole_analog_24	4.89	416.11	4	2	7	46.42	3	0.58	2.68	-
Target_lig_747	Carbazole_analog_25	6.22	518.02	4	2	9	44.73	3	0.35	2.71	-
Target_lig_748	Carbazole_analog_26	5.66	559.05	5	2	8	47.97	3	0.37	2.87	-
Target_lig_749	Carbazole_analog_27	6.13	488.01	3	2	7	35.5	3	0.42	2.69	-
Target_lig_75	Spectinomycin	-2.93	332.16	9	5	2	129.51	0	0.36	5.13	2021
Target_lig_750	Regorafenib	5.69	482.08	4	3	5	92.35	3	0.41	2.4	11167602
Target_lig_751	Neomycin_nucleobase_3a	-8.83	812.39	26	13	12	433.21	3	0.08	6.02	-
Target_lig_752	Neomycin_nucleobase_3b	-9.7	789.36	24	13	12	418.45	2	0.09	5.97	-
Target_lig_753	Neomycin_nucleobase_3c	-9.41	788.38	25	13	12	424.5	2	0.09	6	-
Target_lig_754	Neomycin_nucleobase_3d	-9.53	828.38	26	14	12	453.18	3	0.08	6.11	-
Target_lig_755	Neomycin_nucleobase_3e	-5.55	966.42	25	14	17	434.68	3	0.06	6.2	-
Target_lig_756	Neomycin_nucleobase_3f	-5.22	930.42	24	14	14	430.75	4	0.06	6.07	-
Target_lig_757	Neomycin_nucleobase_3g	-5.94	910.45	24	14	16	430.75	3	0.06	6.1	-
Target_lig_758	Neomycin_nucleobase_3h	-5.43	940.44	24	13	15	410.51	4	0.05	6.07	-
Target_lig_759	Neomycin_nucleobase_3i	-5.76	935.48	24	14	17	422.54	3	0.06	6.14	-
Target_lig_76	gentamicin_mol_c1a	-3.98	449.28	12	8	6	213.72	0	0.19	5.17	582362
Target_lig_760	Neomycin_nucleobase_3j	-8.03	909.43	24	15	16	450.47	3	0.06	6.06	-
Target_lig_761	Neomycin-S	-5.94	952.41	25	14	16	434.68	3	0.06	6.07	-
Target_lig_762	Neomycin-3a	-4.34	1028.44	25	14	17	434.68	4	0.05	6.13	-
Target_lig_763	Neomycin-3b	-4	1048.38	25	14	17	434.68	4	0.05	6.14	-
Target_lig_764	Neomycin-3c	-4.51	1032.41	25	14	17	434.68	4	0.05	6.14	-
Target_lig_765	Neomycin-3d	-5.07	1029.43	26	15	17	460.7	4	0.04	6.17	-
Target_lig_766	Neomycin-4a	-5.16	980.44	25	14	18	434.68	3	0.05	6.11	-
Target_lig_767	Neomycin-4b	-4.77	994.45	25	14	19	434.68	3	0.05	6.13	-
Target_lig_768	Neomycin-4c	-4.59	1000.41	25	14	15	434.68	4	0.05	6.09	-
Target_lig_769	Neomycin-4d	-4.59	1000.41	25	14	15	434.68	4	0.05	6.11	-
Target_lig_77	Pactamycin	0.75	558.27	10	7	8	194.68	2	0.18	4.69	413861
Target_lig_770	Neomycin-4e	-4.47	1016.4	26	14	16	443.91	4	0.05	6.19	-
Target_lig_771	Neomycin-4f	-4.47	1016.4	26	14	16	443.91	4	0.05	6.21	-
Target_lig_772	Apramycin-6a	-4	877.38	22	12	13	365.21	3	0.08	5.91	-
Target_lig_773	Neamine-6b	-2.58	676.28	17	9	11	294.26	3	0.1	5.06	-
Target_lig_774	2-DOS-6c	-0.34	516.19	12	6	8	203.53	3	0.23	4.18	-
Target_lig_775	PA-1	4.41	464.36	5	4	14	77.71	2	0.31	3.59	135491824
Target_lig_776	PA-2	0.42	230.25	4	4	13	76.1	0	0.35	2.02	6452022
Target_lig_777	PA-3	1.9	414.18	8	4	6	138.95	1	0.24	3.93	-
Target_lig_778	Targapremir-515/885	7.34	705.43	8	4	12	152.48	5	0.06	3.48	-
Target_lig_779	Targapremir-515	-1.95	773.43	17	4	26	318.71	2	0.06	4.33	-
Target_lig_78	Kasugamycin	-4.54	379.16	10	8	3	221.31	0	0.17	4.84	265071
Target_lig_780	Compound 1a	-0.64	692.43	12	3	25	237.69	1	0.09	3.74	-
Target_lig_781	Compound 1b	-1.67	789.46	16	3	27	277.14	2	0.07	4.17	-
Target_lig_782	DPF-m1	4.71	502.34	5	2	14	96.38	3	0.19	2.85	485987
Target_lig_783	DPF-o1	5.13	502.34	5	4	14	91.38	3	0.14	3.03	-
Target_lig_784	DPF-p2	8.18	428.21	1	0	8	13.14	5	0.24	1.66	-
Target_lig_785	DPF-m2	8.18	428.21	1	0	8	13.14	5	0.24	1.83	-
Target_lig_786	DPF-o2	8.18	428.21	1	0	8	13.14	5	0.24	1.91	-
Target_lig_787	DPF-p3	6.97	430.2	3	0	8	38.92	5	0.27	2.2	-
Target_lig_788	DPF-m3	6.97	430.2	3	0	8	38.92	5	0.27	2.25	-
Target_lig_789	DPF-o3	6.97	430.2	3	0	8	38.92	5	0.27	2.35	-
Target_lig_79	apramycin	-6.95	539.28	16	11	6	283.64	0	0.15	5.53	439519
Target_lig_790	DPF-p4	7.8	400.18	1	0	6	13.14	5	0.28	1.65	69008020
Target_lig_791	DPF-m4	7.8	400.18	1	0	6	13.14	5	0.28	1.82	-
Target_lig_792	DPF-o4	7.8	400.18	1	0	6	13.14	5	0.28	1.86	-
Target_lig_793	DPF-p5	9.1	468.1	1	0	6	13.14	5	0.24	1.78	-
Target_lig_794	DPF-m5	9.1	468.1	1	0	6	13.14	5	0.24	2.02	-
Target_lig_795	DPF-o5	9.1	468.1	1	0	6	13.14	5	0.24	2.05	-
Target_lig_796	DPF-p6	9.1	468.1	1	0	6	13.14	5	0.24	1.98	-
Target_lig_797	DPF-m6	9.1	468.1	1	0	6	13.14	5	0.24	2.13	-
Target_lig_798	DPF-o6	9.1	468.1	1	0	6	13.14	5	0.24	2.09	-
Target_lig_799	DPF-m7	11.13	552.25	1	0	8	13.14	7	0.18	1.99	-
Target_lig_8	KANAMYCIN B	-7.33	483.25	15	11	6	288.4	0	0.17	5.15	816
Target_lig_80	Neamine	-5.12	322.19	10	8	3	203.46	0	0.25	4.62	413349
Target_lig_800	DPF-o7	11.13	552.25	1	0	8	13.14	7	0.18	2.04	-
Target_lig_801	DPF-p8	9.37	566.33	3	0	8	19.62	5	0.19	2.26	-
Target_lig_802	DPF-m8	9.37	566.33	3	0	8	19.62	5	0.19	2.38	-
Target_lig_803	DPF-o8	9.37	566.33	3	0	8	19.62	5	0.19	2.36	-
Target_lig_804	DPF-p9	3.51	444.29	5	2	8	43.68	3	0.56	2.36	-
Target_lig_805	DPF-m9	3.51	444.29	5	2	8	43.68	3	0.56	2.49	-
Target_lig_806	DPF-o9	3.51	444.29	5	2	8	43.68	3	0.56	2.58	-
Target_lig_807	DPF-p10	4.19	472.32	5	0	8	26.1	3	0.49	2.22	-
Target_lig_808	DPF-m10	4.19	472.32	5	0	8	26.1	3	0.49	2.38	-
Target_lig_809	DPF-o10	4.19	472.32	5	0	8	26.1	3	0.49	2.43	-
Target_lig_81	1H-1,3-benzodiazol-2-amine	1.15	133.06	2	2	0	54.7	2	0.57	1.89	13624
Target_lig_810	DPF-p11	8.31	440.13	3	0	8	13.14	5	0.24	2.26	-
Target_lig_811	DPF-m11	8.31	440.13	3	0	8	13.14	5	0.24	2.44	-
Target_lig_812	DPF-o11	8.31	440.13	3	0	8	13.14	5	0.24	2.52	-
Target_lig_813	Compound 5	4.1	347.16	5	1	6	63.99	3	0.68	2.19	-
Target_lig_814	Compound 16	2.33	296.16	4	2	2	75.01	2	0.89	2.61	-
Target_lig_815	RGB-1	4.16	460.03	10	0	2	96.06	6	0.38	3.32	-
Target_lig_816	Synucleozid-2	4.28	420.21	5	4	5	76.6	4	0.39	2.76	435839
Target_lig_817	Synucleozid-3	4.33	421.19	5	3	5	73.8	4	0.45	2.75	52603
Target_lig_818	Synucleozid-4	3.67	421.2	6	4	5	89.49	4	0.4	2.74	-
Target_lig_819	Synucleozid-5	3.72	422.19	6	3	5	86.69	4	0.46	2.72	23621424
Target_lig_82	5,6-dimethyl-1H-1,3-benzodiazole	2.18	146.08	1	1	0	28.68	2	0.61	2.18	675
Target_lig_820	Guanidinoamine	-7.02	490.27	10	16	7	346.98	0	0.12	5.3	-
Target_lig_821	Amatantrone	0.45	412.21	8	6	12	122.72	2	0.24	2.57	2134
Target_lig_822	Compound 2	4.2	369.16	3	5	5	124.76	4	0.27	2.28	47626
Target_lig_823	Compound 3	1.78	378.14	5	4	5	153.52	3	0.3	2.9	9567645
Target_lig_824	Compound 4	2.57	408.18	5	4	4	125.54	3	0.3	3.08	92529080
Target_lig_825	Compound 5	3.58	306.15	4	3	4	84.02	3	0.51	2.1	146036029
Target_lig_826	Compound 6	3.37	403.23	4	1	4	48.71	3	0.73	2.27	-
Target_lig_827	Compound 7	2.9	410.18	6	1	4	61.08	3	0.72	2.55	-
Target_lig_828	Pyridazine 2	5.08	366.19	5	2	3	49.84	3	0.68	2.74	73293105
Target_lig_829	Pyridazine 3	5.1	380.2	5	1	3	41.05	3	0.69	2.87	89975061
Target_lig_83	4,6-dimethyl-1H-1,3-benzodiazol-2-amine	1.76	161.1	2	2	0	54.7	2	0.62	2.29	19017773
Target_lig_830	Pyridazine 4	5.02	360.23	4	2	3	49.84	3	0.69	2.5	73294187
Target_lig_831	Pyridazine 6	3.73	358.22	5	2	3	61.28	2	0.88	2.89	136253018
Target_lig_832	Pyridazine 7	4.75	390.24	5	2	3	61.28	3	0.68	2.83	136253058
Target_lig_833	Pyridazine 8	3.47	365.22	6	2	3	85.07	2	0.87	3	136253042
Target_lig_834	Pyridazine 9	3.77	379.24	6	1	4	74.07	2	0.87	2.87	86710662
Target_lig_835	Eastern amine 10	3.78	406.25	7	2	4	79.1	3	0.69	3.03	136253041
Target_lig_836	Eastern amine 11	3.72	393.22	7	2	4	85.09	3	0.7	2.98	136598272
Target_lig_837	Eastern amine 12	2.17	337.15	7	2	4	85.09	3	0.76	2.7	136253061
Target_lig_838	Eastern amine 13	2.41	373.14	7	2	4	85.09	3	0.73	3.59	145982093
Target_lig_839	Eastern amine 14	5	475.22	7	1	5	76.3	3	0.56	3.24	145992475
Target_lig_84	4-methylquinolin-2-amine	2.13	158.08	2	1	0	38.91	2	0.64	1.81	231935
Target_lig_840	Pyridazine 15	4.14	391.24	6	2	3	74.17	3	0.7	2.99	136607508
Target_lig_841	Pyridazine 16	4.14	391.24	6	2	3	74.17	3	0.7	3.03	136607554
Target_lig_842	Pyridazine 17	3.36	421.26	8	3	4	105.12	3	0.59	3.14	136377142
Target_lig_843	Pyridazine 18	3.27	436.26	8	3	5	99.33	3	0.56	3.13	136598247
Target_lig_844	Pyridazine 19	3.98	406.25	6	3	4	89.96	3	0.61	3.11	136598218
Target_lig_845	Pyridazine 20	2.82	376.2	6	3	3	89.96	3	0.65	3.85	136598257
Target_lig_846	Pyridazine 21	1.89	348.17	6	3	3	89.96	3	0.67	3.57	137155129
Target_lig_847	Pyridazine 22	4.34	391.24	5	3	4	86.72	3	0.62	3.14	136598251
Target_lig_848	Branaplam	3.93	393.22	6	3	4	95.95	3	0.62	3.06	135565042
Target_lig_849	Compound_1	3.9	262.11	2	2	3	63.01	3	0.56	1.83	408998
Target_lig_85	5,6-dimethyl-1H-1,3-benzodiazol-2-amine	1.76	161.1	2	2	0	54.7	2	0.62	2.21	93125
Target_lig_850	Compound_2	3.18	304.13	3	4	4	112.88	3	0.44	2.08	126437
Target_lig_851	AU-azide	3.75	388.19	5	5	8	149.2	3	0.13	2.99	-
Target_lig_852	Bis-3-chloropiperidine_1	4.06	334.19	2	0	4	6.48	0	0.72	4.08	118730019
Target_lig_853	Bis-3-chloropiperidine_2	4.84	362.23	2	0	6	6.48	0	0.49	3.98	118730021
Target_lig_854	Bis-3-chloropiperidine_3	5.23	376.24	2	0	7	6.48	0	0.44	3.95	118730022
Target_lig_855	Bis-3-chloropiperidine_4	4.38	420.23	4	0	7	32.78	0	0.35	4.35	118730023
Target_lig_856	Bis-3-chloropiperidine_5	4.38	420.23	4	0	7	32.78	0	0.35	4.35	-
Target_lig_857	DM1_compound5	1.7	790.49	18	9	25	306.75	2	0.06	4.06	-
Target_lig_858	SMN-C5	2.21	392.18	7	0	2	58.15	4	0.52	2.83	89740936
Target_lig_859	SMN2_compound_1	2.92	389.19	7	1	2	75.67	4	0.53	3.37	89655253
Target_lig_86	6,7-dimethyl-1H-1,3-benzodiazol-2-amine	1.76	161.1	2	2	0	54.7	2	0.62	2.26	19017763
Target_lig_860	SMN2_compound_2	4.15	532.28	9	1	5	105.21	4	0.38	3.5	-
Target_lig_861	SMN2_compound_3	3.87	354.11	4	0	2	36.69	3	0.65	2.15	-
Target_lig_862	SMN2_compound_4	3.87	354.11	4	0	2	36.69	3	0.65	2.15	-
Target_lig_863	SMN2_compound_5	3.87	354.11	4	0	2	36.69	3	0.65	2.1	-
Target_lig_864	SMN2_compound_6	4	372.1	4	0	2	36.69	3	0.64	2.32	-
Target_lig_865	SMN2_compound_7	4	372.1	4	0	2	36.69	3	0.64	2.27	-
Target_lig_866	SMN2_compound_8	4.17	368.13	4	0	2	36.69	3	0.64	2.24	-
Target_lig_867	SMN2_compound_9	4.17	368.13	4	0	2	36.69	3	0.64	2.19	-
Target_lig_868	SMN2_compound_10	2.52	346.14	6	1	2	62.78	4	0.57	2.56	71622408
Target_lig_869	SMN2_compound_11	1.92	377.15	8	1	3	84.9	4	0.55	2.86	-
Target_lig_87	dimethylamino_methylquinolinyl_pyridinyl_acetamide	3.19	320.16	4	1	4	58.12	3	0.8	2.19	85830272
Target_lig_870	CCUG_compound_1	3.76	321.16	5	3	5	78.94	3	0.67	1.95	52108663
Target_lig_871	CCUG_compound_2	3.93	347.17	5	2	4	70.15	3	0.75	1.98	50946172
Target_lig_872	CCUG_compound_3	3.18	324.16	6	3	7	79.3	3	0.58	1.97	52110137
Target_lig_873	CCUG_compound_4	3.23	337.19	6	3	7	73.31	3	0.57	2.12	50947418
Target_lig_874	CCUG_compound_5	3.92	377.19	6	3	6	88.17	3	0.6	2.59	50947964
Target_lig_875	CCUG_compound_6	2.54	307.14	5	2	4	84.14	3	0.77	2.01	50944573
Target_lig_876	CCUG_compound_7	2.94	352.15	7	3	6	88.53	3	0.59	2.24	50946481
Target_lig_877	CCUG_compound_8	3.44	344.1	6	3	6	79.3	3	0.64	2.06	52110057
Target_lig_878	CCUG_compound_9	2.74	337.15	6	4	6	99.17	3	0.55	2.02	52110050
Target_lig_879	CCUG_compound_10	3.51	307.18	5	1	4	44.29	3	0.8	2.06	50947450
Target_lig_88	dimethylamino_quinolinyl_pyridinyl_acetamide	3.19	321.15	4	2	4	65.46	3	0.77	2.04	85830273
Target_lig_880	CCUG_compound_11	3.45	294.15	5	1	4	50.28	3	0.8	1.9	52108425
Target_lig_881	CCUG_compound_12	2.69	405.19	8	1	7	93.98	4	0.51	2.44	46987061
Target_lig_882	CCUG_compound_13	3.15	280.13	5	2	3	61.28	3	0.72	2	50947420
Target_lig_883	CCUG_compound_14	1.36	329.22	5	2	6	62.19	2	0.84	2.47	118763646
Target_lig_884	CCUG_compound_15	3.93	347.17	5	2	4	70.15	3	0.75	2.03	50946878
Target_lig_885	CCUG_compound_16	4.03	334.18	5	2	4	61.28	3	0.75	2.55	50946841
Target_lig_886	CCUG_compound_17	3.15	280.13	5	2	3	61.28	3	0.77	2.07	50947035
Target_lig_887	CCUG_compound_18	3.37	336.16	6	3	7	87.14	3	0.45	2.09	52110143
Target_lig_888	CCUG_compound_19	3.4	321.16	5	2	4	70.15	3	0.77	2.04	50946353
Target_lig_889	CCUG_compound_20	3.21	322.14	6	1	3	59.51	3	0.8	2.19	50946097
Target_lig_89	N,4-dimethylquinolin-2-amine	2.43	172.1	2	1	0	38.91	2	0.66	2	84618300
Target_lig_890	CCUG_compound_21	3.48	308.16	5	3	6	70.07	3	0.61	2	44537355
Target_lig_891	CCUG_compound_22	3.68	292.13	5	3	5	70.07	3	0.49	2.14	52110341
Target_lig_892	CCUG_compound_23	3.45	294.15	5	1	4	50.28	3	0.8	1.96	50945481
Target_lig_893	CCUG_compound_24	3.92	377.19	6	3	6	88.17	3	0.6	2.64	50947823
Target_lig_894	CCUG_compound_25	2.87	310.14	6	4	6	90.3	3	0.41	2.05	50945420
Target_lig_895	CCUG_compound_26	3.49	308.16	5	2	4	61.28	3	0.77	2.57	50947145
Target_lig_896	CCUG_compound_27	3.18	324.16	6	3	7	79.3	3	0.58	2.02	52110136
Target_lig_897	CCUG_compound_28	3.64	306.15	5	1	4	58.12	3	0.75	2.03	50947135
Target_lig_898	CCUG_compound_29	3.51	280.13	5	3	4	70.07	3	0.64	1.95	52108651
Target_lig_899	CCUG_compound_30	5.44	436.09	5	2	6	110.15	4	0.31	2.17	1338419
Target_lig_9	ribostamycin	-6.65	454.23	14	10	6	262.38	0	0.18	4.97	5066
Target_lig_90	N,N,4-trimethylquinolin-2-amine	2.74	186.12	2	1	0	38.91	2	0.69	2.14	84618597
Target_lig_900	CCUG_compound_31	3.12	266.12	5	3	3	70.07	3	0.68	2.01	50946621
Target_lig_901	CCUG_compound_32	3.13	351.17	6	4	7	99.17	3	0.49	2.1	50947324
Target_lig_902	CCUG_compound_33	3.51	280.13	5	3	4	70.07	3	0.68	2.02	52108650
Target_lig_903	CCUG_compound_34	3.31	312.14	5	3	6	70.07	3	0.61	2.04	50947700
Target_lig_904	CCUG_compound_35	3.48	308.16	5	3	6	70.07	3	0.61	1.97	50945757
Target_lig_905	CCUG_compound_36	3.25	371.15	6	2	3	64.52	3	0.69	2.16	2929712
Target_lig_906	CCUG_compound_37	3.17	294.15	5	3	6	70.07	3	0.61	1.92	50946956
Target_lig_907	CCUG_compound_38	3	326.19	4	3	4	87.63	3	0.69	3.03	72915168
Target_lig_908	CCUG_compound_39	2.87	310.14	6	4	6	90.3	3	0.52	2.12	50944645
Target_lig_909	CCUG_compound_40	2.74	294.11	6	2	3	90.13	3	0.72	1.91	50947920
Target_lig_91	N,N-dimethylquinolin-2-amine	2.3	172.1	2	0	1	16.13	2	0.66	1.81	588801
Target_lig_910	CCUG_compound_41	1.74	328.16	6	2	6	86	3	0.72	2.54	72869941
Target_lig_911	CCUG_compound_42	2.31	322.12	7	2	4	101.74	4	0.6	2.42	136030017
Target_lig_912	CCUG_compound_43	3.7	385.17	6	1	4	53.52	3	0.74	2.21	2972487
Target_lig_913	CCUG_compound_44	3.13	351.17	6	4	7	99.17	3	0.49	2.05	50944617
Target_lig_914	CCUG_compound_45	2.9	338.14	7	3	6	88.53	3	0.6	2.2	50944718
Target_lig_915	CCUG_compound_46	3.49	374.12	7	3	6	88.53	3	0.57	2.52	-
Target_lig_916	CCUG_compound_47	3.25	366.17	7	3	6	88.53	3	0.58	2.49	-
Target_lig_917	CCUG_compound_48	3	365.19	7	3	6	82.54	3	0.58	2.4	-
Target_lig_918	CCUG_compound_49	3.62	349.15	7	3	6	96.1	4	0.46	2.37	-
Target_lig_919	CCUG_compound_50	4.09	365.13	7	3	6	82.96	4	0.45	2.3	-
Target_lig_92	methylpyridine_der_1	0.76	151.11	3	2	3	50.94	1	0.67	2.08	12818865
Target_lig_920	CCUG_compound_51	3.05	348.17	7	3	6	87.89	4	0.46	2.37	-
Target_lig_921	CCUG_compound_52	3.05	348.17	7	3	6	87.89	4	0.46	2.37	-
Target_lig_922	CCUG_compound_53	2.96	366.17	7	2	6	79.74	3	0.65	2.48	-
Target_lig_923	CCUG_compound_54	2.66	356.18	7	3	6	88.53	2	0.69	2.48	-
Target_lig_924	CCUG_compound_55	1.82	344.15	8	3	6	97.76	2	0.68	2.72	-
Target_lig_925	CCUG_compound_56	1.97	356.16	8	4	6	117.21	3	0.5	2.71	-
Target_lig_926	CCUG_compound_57	3.25	366.17	7	3	6	88.53	3	0.58	2.37	-
Target_lig_927	CCUG_compound_58	3.25	366.17	7	3	6	88.53	3	0.58	2.32	-
Target_lig_928	CCUG_compound_59	3.08	370.14	7	3	6	88.53	3	0.57	2.34	-
Target_lig_929	CCUG_compound_60	3.08	370.14	7	3	6	88.53	3	0.57	2.36	-
Target_lig_93	methylpyridine_der_2	0.76	151.11	3	2	3	50.94	1	0.67	2.11	10034794
Target_lig_930	CCUG_compound_61	3.08	370.14	7	3	6	88.53	3	0.57	2.41	-
Target_lig_931	CCUG_compound_62	3.93	363.17	7	3	6	96.1	4	0.45	2.45	-
Target_lig_932	CCUG_compound_63	4.39	379.15	7	3	6	82.96	4	0.43	2.38	-
Target_lig_933	CCUG_compound_64	3.36	362.19	7	3	6	87.89	4	0.46	2.45	-
Target_lig_934	CCUG_compound_65	5.89	459.15	7	3	7	82.96	5	0.26	2.42	-
Target_lig_935	CCUG_compound_66	5.89	459.15	7	3	7	82.96	5	0.26	2.46	-
Target_lig_936	CCUG_compound_67	6.06	455.18	7	3	7	82.96	5	0.26	2.44	-
Target_lig_937	CCUG_compound_68	4.48	431.15	8	4	7	111.64	5	0.28	2.89	-
Target_lig_938	CCUG_compound_69	4.85	484.17	8	4	8	126.05	5	0.23	2.49	-
Target_lig_939	CCUG_compound_70	6.23	480.17	7	4	7	98.75	6	0.2	2.65	-
Target_lig_94	methylpyridine_der_3	1.15	165.13	3	2	4	50.94	1	0.66	2.06	14397357
Target_lig_940	CCUG_compound_71	6.16	553.26	9	4	10	98.23	5	0.15	2.63	-
Target_lig_941	CCUG_compound_72	3.92	450.18	9	3	7	95.43	4	0.36	2.53	-
Target_lig_942	CCUG_compound_73	5.15	436.2	8	4	9	94.99	4	0.27	2.54	-
Target_lig_943	CCUG_compound_74	3.83	493.23	10	4	10	107.46	4	0.25	2.64	-
Target_lig_944	CCUG_compound_75	5.43	514.18	10	4	9	113.45	5	0.19	2.66	-
Target_lig_945	CCUG_compound_76	5.71	514.22	9	4	12	104.22	5	0.16	2.57	-
Target_lig_946	CCUG_compound_77	5.58	500.2	9	4	11	104.22	5	0.17	2.51	-
Target_lig_947	CCUG_compound_78	4.27	452.2	9	5	9	115.22	4	0.24	2.67	-
Target_lig_948	CCUG_compound_79	4.06	451.22	9	4	10	98.23	4	0.27	2.58	-
Target_lig_949	CCUG_compound_80	2.88	468.19	10	5	11	126.66	4	0.21	2.71	-
Target_lig_95	methylpyridine_der_4	0.76	151.11	3	2	3	50.94	1	0.67	2.08	13224296
Target_lig_950	CCUG_compound_81	4.39	563.18	10	5	11	155.15	5	0.15	2.67	-
Target_lig_951	CCUG_compound_82	3.84	463.22	9	3	7	89.44	4	0.36	2.54	-
Target_lig_952	Thioflavin T	3.77	283.13	2	0	2	7.12	3	0.65	2.53	16954
Target_lig_953	Pentamidine	2.88	340.19	4	4	10	118.2	2	0.3	1.99	4735
Target_lig_954	CB096	2.85	285.07	5	2	3	101.28	3	0.57	2.13	4460926
Target_lig_955	CB141	4.35	351.98	5	1	3	114.96	3	0.56	2.42	135458700
Target_lig_956	CB783	6.21	463.05	2	1	2	31.92	5	0.25	2.36	2259661
Target_lig_957	CB549	2.12	326.1	5	4	3	116.02	4	0.46	2.51	136076879
Target_lig_958	CB063	2.41	280.1	3	4	1	97.56	4	0.43	2.48	136118525
Target_lig_959	CB688	3.23	350.14	4	4	5	106.79	4	0.41	2.79	136030051
Target_lig_96	methylpyridine_der_5	0.36	182.08	5	2	4	94.08	1	0.52	2.24	122425
Target_lig_960	CB505	3.1	279.15	2	1	3	29.04	3	0.58	2.81	869804
Target_lig_961	CB348	3.63	399.21	5	2	7	71.42	3	0.64	2.43	70750470
Target_lig_962	CB047	4.79	419.05	7	3	4	88.05	3	0.53	2.52	2177109
Target_lig_963	CB174	3.43	280.13	5	3	3	70.07	3	0.64	2.09	52108211
Target_lig_964	CB019	3.7	334.14	6	1	3	59.51	3	0.79	2.13	50946474
Target_lig_965	Compound1	4.86	553.3	7	3	12	123.8	4	0.13	2.81	-
Target_lig_966	Compound9	6.16	672.3	9	1	9	93.72	6	0.18	2.99	-
Target_lig_967	Compound7	7.11	739.36	7	2	14	106.69	6	0.11	3.01	-
Target_lig_968	Compound8	0	0	-	-	-	0	-	0	0	-
Target_lig_969	Compound3	3.56	432.23	4	5	8	119.04	4	0.27	2.53	395006
Target_lig_97	methylpyridine_der_6	0.76	151.11	3	2	3	50.94	1	0.67	2.08	22118602
Target_lig_970	Pentamidine_1	2.34	415.18	5	7	6	183.96	3	0.18	2.13	416313
Target_lig_971	Pentamidine_2	2.76	400.16	4	6	6	157.94	3	0.28	1.77	414102
Target_lig_972	Pentamidine_3	2	430.19	4	6	6	187	3	0.26	2.13	244299
Target_lig_973	Pentamidine_4	3.69	488.24	4	8	6	183.08	3	0.19	2.13	415595
Target_lig_974	Pentamidine_5	2.01	271.13	4	3	6	94.35	2	0.32	1.87	309453
Target_lig_975	Pentamidine_6	2.86	428.2	4	4	6	134.96	3	0.35	2.12	413923
Target_lig_976	Pentamidine_7	3.86	294.03	2	2	4	59.1	2	0.66	1.91	427251
Target_lig_977	Pentamidine_8	2.43	426.23	4	4	6	153.52	3	0.35	2.84	415086
Target_lig_978	Hoechst_33258_2	0.77	414.2	10	4	5	114.86	3	0.36	3.21	92859009
Target_lig_979	Hoechst_33258_4	2.76	400.16	4	6	6	157.94	3	0.28	2.02	414105
Target_lig_98	methylpyridine_der_7	0.45	137.1	3	2	3	50.94	1	0.64	1.97	410428
Target_lig_980	Hoechst_33258_5	4.19	291.1	2	2	3	40.71	3	0.76	1.97	245203
Target_lig_981	Hoechst_33258_6	2.81	376.2	5	4	4	89.91	2	0.66	3.73	-
Target_lig_982	Hoechst_33258_7	2.89	452.2	6	4	6	106.98	3	0.46	2.55	413678
Target_lig_983	Hoechst_33258_8	3.25	254.11	3	1	3	47.14	3	0.78	1.73	345698
Target_lig_984	Hoechst_33258_9	1.15	405.19	6	5	6	119.01	2	0.5	2.55	416377
Target_lig_985	cpd8	1.72	326.19	7	1	5	67.58	3	0.72	2.49	20880246
Target_lig_986	cpd13	4.47	371.06	4	1	5	39.08	3	0.72	2.17	3970670
Target_lig_987	cpd18	3.38	339.23	4	1	5	39.6	2	0.85	2.96	70719852
Target_lig_988	cpd19	2.5	347.26	4	1	9	58.8	1	0.75	2.73	50967855
Target_lig_989	cpd20	2.09	369.26	7	1	7	62.11	2	0.81	2.62	72873196
Target_lig_99	2-N,2-N,4-trimethylquinoline-2,7-diamine	2.19	201.13	3	1	1	42.15	2	0.72	2.22	326802
Target_lig_990	cpd25	0.31	347.11	8	1	4	116.59	1	0.78	3.61	374010
Target_lig_991	cpd15	4.47	353.25	3	2	5	54.02	2	0.83	2.48	2865088
Target_lig_992	cpd15-A1	3.98	313.22	3	2	5	54.02	2	0.88	2.21	-
Target_lig_993	Tobramycin-CRT	-2.51	880.41	17	11	11	327.94	2	0.05	5.81	-
Target_lig_994	Compound C1	3.94	340.14	4	4	2	109.4	5	0.36	2.37	708725
Target_lig_995	Compound C2	3.97	426.23	8	2	5	82.1	4	0.5	2.54	-
Target_lig_996	Compound C1-COOEt	4.66	470.21	7	4	8	144.93	5	0.15	2.68	146170522
Target_lig_997	Compound C2-Ak	3.83	450.23	8	2	6	82.1	4	0.43	2.87	-
Target_lig_998	Targapremir-377	8.76	1440.78	21	7	37	363.19	10	0.01	5.39	-
Target_lig_999	Compound 3ab	1.2	535.21	11	5	13	188.12	2	0.14	3.98	-