	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	81444-64-6	46,53	-1,92	196,245	0,9068	3	1	0	-4,2161	0,4857923
	81474-61-5	17,07	-6,72	412,699	7,9989	1	0	1	-4,7333	0,1323814
	81474-77-3	55,76	-5,492	522,316	4,9477	4	1	1	-9,5373	0,0897619
	81474-78-4	66,76	-5,197	524,332	4,6519	4	2	1	-11,385	0,0985585
	81474-79-5	46,53	-5,704	508,333	5,5786	3	1	2	-8,3038	0,0800722
	81474-93-3	35,53	-4,532	404,097	2,3232	3	0	0	-7,4444	0,1651119
	81474-94-4	18,46	-4,652	388,098	3,124	2	0	0	-8,8142	0,2655355
	81490-05-3	158,63	-7,172	749,015	10,014	10	3	2	-60,644	0,0726742
	81499-21-0	69,67	-3,349	360,448	4,0434	5	0	0	-6,1754	0,3654664
	81499-72-1	83,83	-3,547	371,997	2,2621	5	2	0	-15,348	0,0518397
	81520-41-4	170,02	-0,504	289,243	-3,4564	10	7	1	1,7115	0,8844179
	81531-17-1	17,07	-9,63	530,962	15,324	1	0	2	-30,567	0,0533182
	81532-02-7	34,14	-2,928	258,36	4,854	2	0	0	-2,4177	0,3820697
	81532-03-8	18,46	-3,911	288,429	6,0578	2	0	1	-3,2029	0,2751298
	81532-05-0	40,46	-3,283	260,376	5,5064	2	2	1	-3,3766	0,3195569
	81534-36-3	294,35	-4,679	894,87	-0,6506	21	7	3	-1,4691	0,0906254
	81538-84-3	17,07	-9,9	544,989	15,778	1	0	2	-24,836	0,0516885
	81552-35-4	165,9	-3,398	518,469	-0,3697	12	4	2	-7,0747	0,0570982
	81552-36-5	266,42	-5,16	876,855	-0,0043001	20	5	2	-2,6923	0,0253393
	815577-43-6	46,53	-6,04	424,623	9,297	3	1	1	-3,9083	0,1394362