Research Article
Computer-Aided Classification of New Psychoactive Substances
| | 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 |
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