Computer-Aided Classification of New Psychoactive Substances

Table 2

Molecules’ descriptors.

	CID	HBA1	HBA2	HBD	logP	MR	TPSA
Group 1	9889172	20	2	0	5.6167	105.0705	22.00
	117587582	20	2	0	5.8860	109.8155	22.00
	10226340	25	3	0	4.8991	119.3305	25.24
	56841530	25	3	0	5.0711	98.7945	31.23
	57507911	25	3	0	5.0711	98.7945	31.23
	57507905	23	3	0	4.6810	93.9875	31.23
	56463	30	4	0	3.4594	114.3495	43.70
Group 2	44397641	27	3	0	5.2655	103.6015	31.23
	44397500	23	2	0	5.9103	102.1195	22.00
	44397540	27	3	0	5.2655	103.6015	31.23
	53494930	31	4	0	4.4975	117.9125	34.47
	11616723	26	2	0	5.5653	102.0755	22.00
	11493740	27	3	0	5.2655	103.6015	31.23
	53394099	31	3	0	6.0457	115.9085	31.23