	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	116613-92-4	29,54	-2,757	312,516	4,0412	3	0	0	-21,404	0,3124022
	116613-93-5	49,77	-3,126	358,584	4,1804	4	1	0	-15,215	0,291795
	116613-94-6	55,84	-4,346	442,702	6,0282	5	0	1	-17,132	0,1744252
	116613-95-7	55,84	-4,076	428,675	5,5738	5	0	1	-16,259	0,1986161
	116613-96-8	55,84	-3,806	414,648	5,1194	5	0	1	-14,723	0,2255221
	116613-97-9	55,84	-3,536	400,621	4,665	5	0	0	-15,657	0,2534672
	1166392-98-8	222,27	-7,257	788,544	2,8456	14	9	3	-1,3226	0,1618002
	116723-91-2	26,3	-6,059	366,627	9,3709	2	0	1	-43,109	0,1457878
	116747-40-1	73,04	-4,947	407,27	2,4858	5	3	0	1,3986	0,5750283
	116907-14-3	17,07	-3,164	218,339	3,6076	1	0	0	-4,7555	0,4158986
	116943-00-1	37,3	-4,171	268,439	6,0286	2	1	1	-27,196	0,2600214
	116943-01-2	37,3	-4,171	268,439	6,0286	2	1	1	-15,008	0,2600215
	116943-02-3	26,3	-4,299	282,466	6,4565	2	0	1	-37,385	0,2394787
	116944-99-1	72,83	-3,383	364,48	5,0304	5	1	1	-18,577	0,1884504
	116963-50-9	98,13	-3,538	382,519	4,0795	5	1	0	-14,044	0,3503256
	116972-92-0	20,23	-6,499	412,699	7,3013	1	1	1	-0,53193	0,192269
	116972-93-1	20,23	-6,499	412,699	7,3013	1	1	1	-0,53193	0,192269
	116988-16-0	20,23	-3,78	288,473	7,6434	1	1	1	-12,295	0,2275692
	117007-28-0	57,53	-3,424	320,471	6,4575	3	2	1	-2,5656	0,1656102
	117021-05-3	0	-7,247	438,781	11,809	0	0	1	-20,924	0,0689275