	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	52936-69-3	20,23	-6,302	398,672	7,6034	1	1	1	-15,458	0,1436436
	52936-70-6	26,3	-6,712	440,709	8,088	2	0	1	-15,206	0,1256366
	52940-12-2	115,06	-3,546	272,212	1,6506	6	4	0	-1,0702	0,2599506
	529-69-1	108,94	-2,705	179,139	-2,1631	7	3	0	2,9512	0,5522882
	52981-86-9	20,31	-2,712	245,365	2,9525	2	0	0	2,6449	0,8500461
	52995-48-9	121,96	-1,172	255,229	-1,9983	8	3	0	4,7775	0,9599885
	52995-49-0	102,66	-1,769	237,214	-1,0786	7	2	0	-1,9106	0,1950366
	53042-81-2	20,23	-3,801	238,413	5,9077	1	1	1	-27,646	0,1672069
	530-43-8	121,45	-6,557	561,544	6,4214	8	2	2	-28,638	0,0150319
	53049-06-2	74,71	-1,489	228,315	0,0155	4	1	0	6,9999	0,9635605
	530-55-2	52,6	-1,116	168,148	-0,0594	4	0	0	1,0795	0,5122728
	5309-46-6	66,76	-4,031	330,507	5,4026	4	2	1	-25,442	0,28454
	53106-49-3	26,3	-0,223	152,024	1,4442	2	0	0	-1,815	0,1279923
	5311-88-6	24,39	-2,171	148,208	3,5406	2	1	0	1,8469	0,4887309
	53163-99-8	54,37	-2,597	200,277	2,6515	3	1	0	-14,865	0,0976874
	53179-67-2	85,61	0,116	179,239	-3,6134	4	2	0	-1,7567	0,565877
	53190-88-8	80,92	-5,306	436,674	4,561	4	4	0	-6,1888	0,2411305
	53190-89-9	105,2	-6,946	604,822	6,4994	8	0	2	-5,2441	0,1020815
	5320-75-2	26,3	-3,597	238,285	3,7519	2	0	0	-1,1896	0,2901592
	53216-02-7	89,05	-4,745	480,707	4,8593	5	1	0	-1,3917	0,2801716