"toxicity"	"logKow"	"pKa"	"ELUMO"	"Ecarb"	"Emet"	"RM"	"IR"	"Ts"	"P"
-0.15	1.68	1	4.81	17.8635	1.4838	31.36	1.425	31.3	12.43
-0.33	0.94	0.98	4.68	16.9491	0	22.1	1.408	30.4	8.76
-0.34	1.16	0.96	4.86	17.1806	0.2778	26.73	1.418	30.9	10.59
0.03	2.75	1	4.83	18.4794	3.5836	40.63	1.435	31.8	16.1
-0.57	0.79	0.97	4.8	16.8022	1.0232	22.14	1.411	32.5	8.77
0.08	2.64	1.01	4.9	18.3937	3.7145	40.63	1.435	31.8	16.1
-0.27	1.39	0.96	4.82	17.1101	2.0815	26.77	1.42	32.7	10.61
-0.25	1.47	1.02	4.62	17.5139	0	26.74	1.419	30.2	10.6
-0.51	0.33	0.95	4.74	16.3449	0.2222	17.51	1.397	32.3	6.94
-0.11	2.42	0.94	4.88	17.7382	4.5544	36.04	1.432	32.9	14.28
0.35	3.47	0.97	4.97	17.7382	7.2507	45.3	1.44	33.1	17.96
0.51	4.09	0.96	4.83	17.8253	8.6425	49.94	1.443	33.1	19.79
0.9	4.42	0.96	4.86	17.8983	10.0532	54.57	1.445	33.2	21.63
-0.23	1.75	0.98	4.86	17.4886	1.2528	31.36	1.425	31.3	12.43
-0.27	1.75	0.97	4.86	17.3705	1.0902	31.36	1.425	31.3	12.43
0.08	3.05	0.94	4.9	17.6321	5.8845	40.67	1.437	33	16.12
-0.21	1.92	0.97	4.87	17.3322	3.277	31.41	1.427	32.8	12.45
-0.64	-0.29	0.81	4.35	16.8734	0.0866	28.34	1.476	56.1	1.476
-0.61	0.08	0.81	4.35	17.1579	1.0178	32.97	1.476	52.4	1.476
-0.94	-0.59	0.6	3.76	16.4629	-0.5926	23.7	1.477	61.6	1.477
0.08	4.13	0.9069	4.44	18.0218	11.2898	70.03	1.474	41.7	1.474
-0.09	3.07	0.8757	4.44	17.9095	8.5144	60.77	1.474	43.1	1.474
-0.71	-0.58	0.1296	2.77	15.8195	-0.8056	19.07	1.478	70.5	1.478
-0.58	0.43	0.7474	4.4	17.3666	2.1002	37.6	1.476	49.8	1.476
-0.27	2.01	0.8548	4.44	17.7543	5.8246	51.5	1.475	44.9	1.475
-0.51	0.95	0.7951	4.42	17.5262	3.281	42.24	1.475	47.8	1.475
-0.28	1.41	-0.16	4.72	16.7559	0.784	26.83	1.452	34.1	1.452
0.12	0.87	0.92	4.74	16.9781	1.8572	26.5	1.438	33.1	1.438
-0.13	1.94	-0.19	4.72	16.9432	4.132	31.46	1.455	34	1.455
-0.22	1.4	0.65	4.54	17.143	1.0567	31.46	1.455	34	1.455
-0.54	0.72	-0.19	4.62	16.448	0	22.2	1.448	34.2	1.448
0.16	0.35	-0.2	1.86	15.8727	2.9606	17.23	1.422	32.8	1.422
0.21	3	-0.17	4.72	17.2779	4.3525	40.73	1.459	34	1.459
-0.06	2.12	0.12	2.67	16.9238	4	38.68	1.47	40.9	1.47
-0.29	-0.52	0.06	1.86	15.4004	0	15.33	1.455	52.9	1.455
0.71	2.65	0.12	2.39	17.0299	5.3118	43.31	1.47	40.1	1.47
0.6	3.53	-0.17	4.39	17.384	5.6883	45.36	1.46	33.9	1.46
-0.64	0.64	0.8	4.39	16.5416	3.2756	21.87	1.432	33	1.432