mol_id	log(IGC50-1)	MW	NA	PSA	ACCEPTORS	DONORS	SaaCH	SaasC	SsCH3	SssCH2	SsNH2	SsNH2(al)	SsssCH	SsOH	SsOH(alc)	SssssC	SsNH2(ar)	SssO	SsOH(phen)	SsCl	SdCH2	SdsCH	SsI	SsBr	SdO	SdO(keto)	SddsN	SdO(nitro)	SddsN(nitro)	SdssC	StN	StsC	SsF	SdS	SsNH2(oth)	SddC	SdsN	SssNH	SssNH(ar)	SaaN	SsssN	SsssN(al)	SdO(ester)	SssO(ester)	SdO(amid)	SssNH(oth)	SssS	StCH	SsSH	SdssS	SdO(sulfo)	SddssS	SsO	SdO(acid)	SsOH(acid)	SssNH(al)	SaaS	SaaaC	SsssN(ar)	SdNH	SdsN(nitro)
mol_1	-0.12	78.12	6	0	0	0	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_2	0.25	106.18	8	0	0	0	8.48	2.66	4.19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_3	0.25	92.15	7	0	0	0	10.26	1.32	2.08	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_4	1.25	134.24	10	0	0	0	10.65	1.46	2.23	3.83	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_5	1.79	148.27	11	0	0	0	10.71	1.47	2.24	5.25	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_6	-0.24	107.17	8	26.02	0	2	9.99	1.19	0	0.64	5.35	5.35	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_7	0.69	120.21	9	0	0	0	10.52	1.41	4.41	0	0	0	0.659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_8	0.42	164.27	12	20.23	0	1	10.48	1.4	0	4.72	0	0	0	8.56	8.56	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_9	-0.07	164.27	12	20.23	0	1	10.24	1.29	3.69	1.77	0	0	0	9.48	9.48	-0.546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_10	-0.21	136.21	10	20.23	0	1	10.2	1.3	0	2.14	0	0	0	8.53	8.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_11	-0.83	108.15	8	20.23	0	1	9.52	0.965	0	0.14	0	0	0	8.54	8.54	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_12	-0.66	122.18	9	20.23	0	1	9.59	0.97	1.76	0	0	0	-0.341	9.02	9.02	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_13	0.07	136.21	10	20.23	0	1	8	2.3	2.12	1.2	0	0	0	8.7	8.7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_14	-0.01	150.24	11	20.23	0	1	9.78	1.02	2.08	1.88	0	0	-0.277	9.52	9.52	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_15	0.92	184.25	14	20.23	0	1	18.16	3.34	0	0.106	0	0	0	8.9	8.9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_16	1.97	182.28	14	0	0	0	19.24	3.97	2.18	1.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_17	1.05	154.22	12	0	0	0	20.78	2.55	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_18	0.8	212.31	16	20.23	0	1	19.85	2.11	1.86	0.637	0	0	0	10.44	10.44	-0.803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_19	0.75	212.31	16	20.23	0	1	20.26	2.31	1.84	0	0	0	-0.327	9.92	9.92	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_20	-0.16	121.2	9	26.02	0	2	5.93	3.4	4.14	0	5.53	0	0	0	0	0	5.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_21	-1.13	123.17	9	46.25	0	3	7.19	1.55	0	0.0606	5.42	0	0	8.61	8.61	0	5.42	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_22	0.61	165.26	12	35.25	1	2	7.48	1.68	2.15	3.06	5.53	0	0	0	0	0	5.53	5.45	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_23	-0.05	107.17	8	26.02	0	2	7.79	2.08	2.04	0	5.43	0	0	0	0	0	5.43	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_24	-0.03	121.2	9	26.02	0	2	7.96	2.16	2.12	1.06	5.53	0	0	0	0	0	5.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_25	0.03	121.2	9	26.02	0	2	7.96	2.18	2.13	1.08	5.48	0	0	0	0	0	5.48	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_26	-0.28	107.17	8	26.02	0	2	7.8	2.05	2.02	0	5.46	0	0	0	0	0	5.46	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_27	0.76	177.32	13	26.02	0	2	6.33	3.52	8.71	0	6.09	0	1.03	0	0	0	6.09	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_28	-0.22	121.2	9	26.02	0	2	7.94	2.14	2.1	1.02	5.63	0	0	0	0	0	5.63	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_29	0.31	149.26	11	26.02	0	2	6.26	3.52	4.26	2.05	5.9	0	0	0	0	0	5.9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_30	-0.14	124.15	9	29.46	1	1	6.57	1.02	1.59	0	0	0	0	8.8	0	0	0	4.86	8.8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_31	0.93	136.21	10	20.23	0	1	3.56	3.92	6.06	0	0	0	0	9.12	0	0	0	0	9.12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_32	0.06	126.59	8	0	0	0	9.96	1.18	0	0.612	0	0	0	0	0	0	0	0	0	5.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_33	0.25	122.18	9	9.23	1	0	7.96	2.18	3.73	0	0	0	0	0	0	0	0	4.97	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_34	0.91	150.24	11	20.23	0	1	7.35	1.58	6.46	0	0	0	0	9.02	0	0.174	0	0	9.02	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_35	-0.1	108.15	8	9.23	1	0	9.68	0.91	1.66	0	0	0	0	0	0	0	0	4.91	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_36	0.21	122.18	9	20.23	0	1	7.27	1.6	2.09	1.03	0	0	0	8.85	0	0	0	0	8.85	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_37	0.29	122.18	9	20.23	0	1	7.31	1.53	2.06	0.981	0	0	0	8.94	0	0	0	0	8.94	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_38	-0.29	108.15	8	20.23	0	1	7.25	1.29	1.87	0	0	0	0	8.92	0	0	0	0	8.92	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_39	0.16	122.18	9	20.23	0	1	7.39	1.41	2.02	0.896	0	0	0	9.11	0	0	0	0	9.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_40	-0.35	94.12	7	20.23	0	1	8.71	0.322	0	0	0	0	0	8.63	0	0	0	0	8.63	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_41	0.33	134.19	10	20.23	0	1	7.27	1.28	0	0.729	0	0	0	9.19	0	0	0	0	9.19	0	3.59	1.77	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_42	0.36	204.01	7	0	0	0	10.22	1.29	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_43	0.05	127.58	8	26.02	0	2	7.05	1.47	0	0	5.37	0	0	0	0	0	5.37	0	0	5.56	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_44	-0.83	138.18	10	40.46	0	2	6.83	1.31	0	0.811	0	0	0	17.39	8.53	0	0	0	8.86	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_45	0.18	141.61	9	26.02	0	2	5.58	2.41	1.98	0	5.46	0	0	0	0	0	5.46	0	0	5.69	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_46	1.31	180.27	13	40.46	0	2	4.76	1.3	2.15	4.41	0	0	0	18.38	0	0	0	0	18.38	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_47	-0.33	124.15	9	29.46	1	1	6.66	0.907	1.56	0	0	0	0	8.86	0	0	0	4.84	8.86	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_48	1.8	194.3	14	40.46	0	2	4.81	1.26	2.18	5.68	0	0	0	18.58	0	0	0	0	18.58	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_49	0.47	171.04	8	0	0	0	8.22	2.44	2.08	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.35	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_50	0.6	142.59	9	9.23	1	0	7.23	1.57	1.63	0	0	0	0	0	0	0	0	4.91	0	5.61	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_51	-0.65	110.12	8	40.46	0	2	5.85	0.176	0	0	0	0	0	17.31	0	0	0	0	17.31	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_52	0.08	157.01	7	0	0	0	9.97	1.13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.31	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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mol_589	-0.79	170.25	11	34.14	0	0	8.47	0.405	1.64	0.164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22.4	-3	0	0	0	0	0	0	0	0	0
mol_590	0.31	182.26	12	34.14	0	0	8.36	0.352	0	-0.00296	0	0	0	0	0	0	0	0	0	0	3.39	1.39	0	0	22.72	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22.72	-3.13	0	0	0	0	0	0	0	0	0
mol_591	1.28	168.23	11	34.14	0	0	8.2	0.287	0	0	0	0	0	0	0	0	0	0	0	0	3.22	0.947	0	0	22.17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22.17	-3.23	0	0	0	0	0	0	0	0	0
mol_592	2.76	191.32	13	12.36	2	0	8.15	2.25	2.2	3.63	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.52	0	2.35	3.89	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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mol_594	2.71	163.26	11	12.36	2	0	10.02	1.17	2	0	0	0	0.133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.51	0	2.37	3.96	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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mol_596	2.54	163.26	11	12.36	2	0	10.22	1.29	0	1.69	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.45	0	2.35	3.83	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_597	3.05	199.29	14	12.36	2	0	14.47	1.19	0	0.616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.56	0	2.39	3.96	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.48	0	0	0
mol_598	0.29	189.25	13	29.43	3	0	9.49	0.954	0	0	0	0	0	0	0	0	0	0	0	0	0	3.03	0	0	10.83	10.83	0	0	0	-0.39	0	0	0	4.29	0	2.01	3.28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_599	0.59	185.02	9	17.07	1	0	7.2	1.7	0	0	0	0	0	0	0	0	0	0	0	0	0	0.826	0	3.26	10.1	10.1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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mol_601	-0.13	124.12	9	17.07	1	0	5.37	0.178	0	0	0	0	0	0	0	0	0	0	0	0	0	0.68	0	0	10	10	0	0	0	0	0	0	12.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_602	-0.09	134.14	10	34.14	2	0	6.43	1.18	0	0	0	0	0	0	0	0	0	0	0	0	0	1.49	0	0	20.24	20.24	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_603	-0.05	136.16	10	26.3	2	0	6.94	1.44	1.59	0	0	0	0	0	0	0	0	4.9	0	0	0	0.805	0	0	10.17	10.17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_604	0.07	150.19	11	26.3	2	0	7.04	1.48	1.92	0.653	0	0	0	0	0	0	0	5.19	0	0	0	0.815	0	0	10.23	10.23	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_605	0.01	120.16	9	17.07	1	0	7.51	1.81	1.92	0	0	0	0	0	0	0	0	0	0	0	0	0.87	0	0	10.23	10.23	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_606	0.41	140.57	9	17.07	1	0	6.8	1.21	0	0	0	0	0	0	0	0	0	0	0	5.56	0	0.77	0	0	10.1	10.1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_607	0.51	185.02	9	17.07	1	0	7.24	1.64	0	0	0	0	0	0	0	0	0	0	0	0	0	0.824	0	3.24	10.14	10.14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_608	0.15	124.12	9	17.07	1	0	5.54	-0.005	0	0	0	0	0	0	0	0	0	0	0	0	0	0.614	0	0	10	10	0	0	0	0	0	0	12.2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_609	-0.06	166.19	12	35.53	3	0	5.04	1.74	3.08	0	0	0	0	0	0	0	0	9.93	0	0	0	0.748	0	0	10.47	10.47	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_610	0.08	124.12	9	17.07	1	0	5.85	-0.356	0	0	0	0	0	0	0	0	0	0	0	0	0	0.495	0	0	9.99	9.99	0	0	0	0	0	0	12.36	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_611	0.72	178.25	13	26.3	2	0	7.15	1.52	2.12	2.94	0	0	0	0	0	0	0	5.43	0	0	0	0.829	0	0	10.34	10.34	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_612	0.16	185.57	12	62.89	1	0	4.08	-0.249	0	0	0	0	0	0	0	0	0	0	0	5.54	0	0.375	0	0	31	10.36	-0.643	20.64	-0.643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_613	0.2	186.6	12	46.53	2	1	2.96	0.314	1.41	0	0	0	0	9.29	0	0	0	4.77	9.29	5.62	0	0.571	0	0	10.34	10.34	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_614	1.23	170.22	13	17.07	1	0	11.94	1.84	1.95	0	0	0	0	0	0	0	0	0	0	0	0	0.928	0	0	10.84	10.84	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.16	0	0	0
mol_615	1.12	170.22	13	17.07	1	0	11.8	1.97	2.05	0	0	0	0	0	0	0	0	0	0	0	0	0.905	0	0	10.73	10.73	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.2	0	0	0
mol_616	1.71	206.25	16	17.07	1	0	18.11	0.759	0	0	0	0	0	0	0	0	0	0	0	0	0	0.925	0	0	11.06	11.06	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.48	0	0	0
mol_617	0.11	138.13	10	57.53	1	2	4.21	-0.54	0	0	0	0	0	17.74	0	0	0	0	17.74	0	0	0.481	0	0	10.11	10.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_618	0.28	138.13	10	57.53	1	2	3.77	-0.0484	0	0	0	0	0	17.69	0	0	0	0	17.69	0	0	0.481	0	0	10.11	10.11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_619	0.11	138.13	10	57.53	1	2	3.88	-0.148	0	0	0	0	0	17.6	0	0	0	0	17.6	0	0	0.596	0	0	10.08	10.08	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_620	-0.2	154.13	11	77.76	1	3	2.12	-1.52	0	0	0	0	0	26.5	0	0	0	0	26.5	0	0	0.457	0	0	10.12	10.12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_621	0.13	154.13	11	77.76	1	3	1.95	-1.37	0	0	0	0	0	26.62	0	0	0	0	26.62	0	0	0.31	0	0	10.16	10.16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_622	0.85	166.19	12	46.53	2	1	4.81	0.511	1.81	0.468	0	0	0	9.36	0	0	0	5.07	9.36	0	0	0.595	0	0	10.37	10.37	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_623	0.38	152.16	11	46.53	2	1	4.75	0.448	1.43	0	0	0	0	9.23	0	0	0	4.78	9.23	0	0	0.581	0	0	10.28	10.28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_624	0.62	182.19	13	55.76	3	1	2.88	0.723	2.88	0	0	0	0	9.34	0	0	0	9.77	9.34	0	0	0.535	0	0	10.53	10.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_625	0.89	156.57	10	37.3	1	1	4.2	0.727	0	0	0	0	0	8.83	0	0	0	0	8.83	5.54	0	0.641	0	0	10.17	10.17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_626	1.32	172.19	13	37.3	1	1	10.78	0.395	0	0	0	0	0	9.38	0	0	0	0	9.38	0	0	0.678	0	0	10.68	10.68	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.75	0	0	0
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mol_630	1.37	214.23	16	57.53	1	2	12.6	0.406	0	0	0	0	0	18.66	0	0	0	0	18.66	0	0	0	0	0	11.94	11.94	0	0	0	-0.266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
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mol_640	1.68	189.01	9	40.46	0	2	4.26	0.773	0	0	0	0	0	17.68	0	0	0	0	17.68	0	0	0	0	3.04	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_641	2.11	247.89	12	40.46	0	2	0	-1.75	0	0	0	0	0	18.3	0	0	0	0	18.3	21.9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_642	2.01	186.22	14	40.46	0	2	13.94	1.86	0	0	0	0	0	18.86	0	0	0	0	18.86	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_643	1.81	179	10	40.46	0	2	2.36	-0.0993	0	0	0	0	0	17.79	0	0	0	0	17.79	10.83	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
mol_644	0.98	425.7	12	40.46	0	2	0	1.72	0	0	0	0	0	18.63	0	0	0	0	18.63	0	0	0	0	12.65	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0