	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	1117-61-9	20,23	-2,153	156,268	3,3494	1	1	0	-8,6831	0,1597161
	111768-16-2	56,41	-2,91	349,433	2,7834	5	1	0	5,9539	0,8340942
	111863-67-3	29,46	-8,621	659,586	7,0607	2	1	2	-3,9954	0,0236144
	1118-68-9	40,54	0,418	103,12	-2,1194	3	1	0	0,017636	0,7470622
	1118-90-7	100,62	-0,691	161,156	-2,9042	5	3	0	-19,278	0,4924063
	111950-82-4	34,14	-3,708	302,456	6,5636	2	0	1	-7,424	0,0433121
	1119-53-5	115,98	0,159	197,13	-3,6833	7	3	0	-29,997	0,2952709
	1119-54-6	106,92	-0,997	151,189	-2,4933	5	3	0	-2,7795	0,5204017
	1119-77-3	43,37	-3,565	256,384	4,3945	3	0	0	-28,991	0,0783314
	111997-20-7	34,14	-3,708	302,456	6,5636	2	0	1	-7,424	0,0433121
	1120-01-0	62,75	-3,988	306,509	5,0385	3	1	1	-27,528	0,3085064
	1120-04-3	71,98	-3,651	350,562	5,7061	4	1	1	-20,926	0,2770669
	1120-25-8	26,3	-4,139	268,439	6,2382	2	0	1	-36,268	0,2530752
	1120-28-1	26,3	-5,447	326,562	8,308	2	0	1	-35,364	0,1699147
	1120-34-9	26,3	-5,759	352,6	8,9646	2	0	1	-39,138	0,1556951
	112058-00-1	228,22	-3,907	744,912	0,6861	14	9	3	-3,1495	0,1424805
	112058-04-5	60,69	-5,453	430,67	5,9279	3	3	1	-6,8458	0,1891915
	112058-05-6	60,69	-5,82	446,713	6,1797	3	3	1	-3,5586	0,1714002
	112058-06-7	68,67	-1,955	192,225	-0,5776	6	2	0	3,9406	0,9544118
	112058-07-8	101,15	-4,862	464,684	4,2249	5	5	0	-6,2539	0,259703