	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	81905-30-8	74,6	-3,127	306,4	3,8184	4	2	0	-12,074	0,3148363
	81920-17-4	46,53	-1,802	179,259	-0,0459	3	1	0	-3,0921	0,504528
	81920-18-5	18,46	-4,749	424,559	3,9491	2	0	0	-5,1586	0,1756322
	81926-94-5	26,3	-4,919	356,548	8,1099	2	0	1	-23,909	0,1831162
	81968-62-9	20,23	-3,319	220,355	5,0028	1	1	1	-5,6275	0,340804
	81988-69-4	18,46	-4,647	426,575	3,9846	2	0	0	-7,4229	0,0380829
	81994-54-9	97,99	-3,21	352,469	3,8059	5	4	0	-13,151	0,3804139
	820-10-0	105,84	-0,494	181,211	-3,8602	5	2	0	-15,346	0,4919282
	82054-21-5	89,72	-2,211	271,367	1,0241	5	5	0	2,5239	0,5390422
	82081-23-0	173,42	-1,188	452,462	-1,7298	12	4	1	6,9763	0,8097122
	82124-04-7	50,44	-4,444	332,482	6,657	3	1	1	-7,1076	0,2233578
	82124-06-9	50,44	-4,444	332,482	6,657	3	1	1	-7,1076	0,2233578
	82124-09-2	50,44	-4,444	332,482	6,657	3	1	1	-6,0776	0,223686
	82124-11-6	79,9	-5,079	416,556	6,0187	5	2	1	-1,5058	0,1436779
	82154-21-0	20,23	-6,732	426,726	8,2761	1	1	1	-2,1734	0,1401612
	82198-78-5	105,45	-1,157	296,274	-0,779	7	3	0	1,4587	0,8590719
	82205-22-9	46,53	-4,82	384,558	6,0714	3	1	1	-8,2232	0,1745445
	82205-28-5	17,07	-4,295	262,435	4,7363	1	0	0	-8,8008	0,1906757
	822-12-8	37,3	-3,699	228,374	5,1537	2	1	1	-25,216	0,1153006
	82214-84-4	34,14	-4,819	296,409	5,7504	2	0	1	-0,2075	0,3546785