	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	499136-52-6	57,61	-3,624	337,502	5,516	4	1	1	-1,6024	0,3381341
	499136-55-9	57,61	-3,624	337,502	5,516	4	1	1	0,89229	0,4950074
	499136-60-6	57,61	-3,842	337,502	5,6224	4	1	1	-11,711	0,2785013
	499136-61-7	57,61	-3,354	323,475	5,0616	4	1	1	-1,6024	0,3769685
	499136-75-3	57,61	-3,572	323,475	5,168	4	1	1	-11,711	0,3116051
	499136-76-4	57,61	-3,302	309,448	4,7136	4	1	0	-11,711	0,3456819
	499136-77-5	57,61	-3,462	323,475	4,9319	4	1	0	-1,3162	0,3963507
	499136-81-1	57,61	-3,462	323,475	4,9319	4	1	0	1,1724	0,5769902
	4991-47-3	37,3	-4,239	256,428	6,0625	2	1	1	-25,216	0,0926785
	499-82-1	86,63	-0,831	173,167	-3,2221	5	3	0	-4,2515	0,4982081
	500723-04-6	134,91	-3,073	396,391	0,5371	9	4	0	-8,1287	0,4135724
	500723-05-7	145,91	-2,759	382,364	0,2614	9	5	0	-8,3166	0,4275708
	501-30-4	66,76	-1,041	142,11	-1,1128	4	2	0	0,35933	0,2811032
	501-36-0	60,69	-2,864	228,246	2,8295	3	3	0	-1,6732	0,1838587
	501373-67-7	69,18	-3,053	369,844	1,2598	6	2	0	2,1299	0,2461899
	501373-69-9	79,39	-1,543	223,227	0,4327	5	2	0	-0,87454	0,6229444
	501427-46-9	59,67	-5,601	396,525	5,9468	4	1	1	-1,5019	0,2273338
	501427-48-1	59,67	-5,601	396,525	5,9468	4	1	1	-1,5019	0,2273338
	501445-47-2	50,44	-5,368	372,547	6,1544	3	1	1	-4,058	0,1618256
	501445-48-3	50,44	-5,695	406,992	6,3357	3	1	1	-3,2787	0,0395021