Table 2. Docking score of 43 proteins with 19 Illicit drugs and bomb compounds.
| PubChem ID | PROTEIN ID | Compound name | Docking score |
| 66540 | 1TUJ | Plasticizer | -6.876 |
| 16078 | Dronobinal cannabis | -6.65 | |
| 5826 | 2H8V | Amphetamine | -6.824 |
| 1615 | Ecstasy | -6.505 | |
| 1615 | 3BJH | Ecstasy | -10.894 |
| 5760 | Crack cocaine | -10.864 | |
| 66540 | 3CYZ | Plasticizer | -10.142 |
| 5760 | Crack cocaine | -9.491 | |
| 7658 | 3D73 | Phenylethyl butanoate | -9.209 |
| 6054 | Phenethyl alcohosl | -7.901 | |
| 5760 | 3D75 | Crack cocaine | -10.445 |
| 8398 | N-phenyl-2-napthylamine | -10.052 | |
| 8398 | 3FE6 | N-phenyl-2-napthylamine | -10.807 |
| 5760 | Crack cocaine | -10.311 | |
| 66540 | 3R72 | Plasticizer | -8.604 |
| 8398 | N-phenyl-2-napthylamine | -7.925 | |
| 134664 | 3RZS | Benzodiazepine | -8.98 |
| 62697 | Binder styrene butadiene | -6.34 | |
| 134664 | 3SOA | Benzodiazepine | -8.113 |
| 5826 | Amphetamine | -5.992 | |
| 5760 | 3D75 | Crack cocaine | -10.445 |
| 5760 | Crack cocaine | -9.837 | |
| 16078 | 3D78 | Dronobinal cannabis | -11.667 |
| 66540 | Plasticizer | -10.861 | |
| 5826 | AOAOA7RDX8 (OBP1) | Amphetamine | -6.477 |
| 62697 | Binder styrene butadiene | -6.329 | |
| 134664 | AOAOKOPX79 (OBP2) | Benzodiazepine | -6.509 |
| 62697 | Binder styrene butadiene | -6.224 | |
| 134664 | AOAOKOPX82 (OBP3) | Benzodiazepine | -8.851 |
| 5826 | Amphetamine | -6.173 | |
| 5760 | AOAOKOPXH2 (OBP4) | Crack cocaine | -4.65 |
| 16078 | Dronobinal cannabis | -4.645 | |
| 4095 | AOAOKOPXY3 (OBP5) | Methadone | -10.493 |
| 66540 | Plasticizer | -9.186 | |
| 134664 | AOAOU2SP42 (OBP6) | Benzodiazepine | 6.891 |
| 5826 | Amphetamine | -6.164 | |
| 134664 | AOAOU2SQWO (OBP7) | Benzodiazepine | -8.913 |
| 62697 | Binder styrene butadiene | -6.22 | |
| 16078 | AOAOU2UB85 (OBP8) | Dronobinal cannabis | -3.588 |
| 10836 | Methamphetamine | -3.174 | |
| 5760 | H6VYYO | Crack cocaine | -11.537 |
| 4095 | (OBP9) | Methadone | -10.642 |
| 5760 | H6VYY1 | Crack cocaine | -11.758 |
| 4095 | (OBP10) | Methadone | -11.712 |
| 134664 | V9IM79 | Benzodiazepine | -6.503 |
| 62697 | (OBP11) | Binder styrene butadiene | -6.208 |
| 5826 | AOAOU2SR55 (OBP12) | Amphetamine | -4.334 |
| 66540 | Plasticizer | -4.174 | |
| 66540 | S5CRW7 | Plasticizer | -10.322 |
| 16078 | (OBP13) | Dronobinal cannabis | -9.993 |
| 16078 | Q8WRW3 (OBP14) | Dronobinal cannabis | -8.409 |
| 66540 | Plasticizer | -7.879 | |
| 5760 | Q8WRW4 (OBP15) | Crack cocaine | -6.5 |
| 5760 | Crack cocaine | -6.294 | |
| 8398 | Q8WRW5 (OBP16) | N-phenyl-2-napthylamine Plasticizer | -12.253 |
| 66540 | -10.559 | ||
| 8398 | Q8WRW5 | N-phenyl-2-napthylamine Plasticizer | -12.087 |
| 66540 | (OBP17) | -11.274 | |
| 5760 | Q8WRW6 (OBP18) | Crack cocaine | -6.415 |
| 4095 | Methadone | -6.356 | |
| 62697 | Q9U9J5 | Binder styrenebutadiene | -5.639 |
| 1615 | (OBP19) | Ecstasy | -2.584 |
| 5760 | Q9U9J5 | Crack cocaine | -7.549 |
| 5760 | (OBP20) | Crack cocaine | -7.516 |
| 8398 | Q9U9J6_ASP1 (OBP21) | N-phenyl-2-napthylamine Plasticizer | -12.087 |
| 66540 | -11.274 | ||
| 5826 | Q1W1D7 | Amphetamine | -5.763 |
| 10836 | (OBP22) | Methamphetamine | -5.015 |
| 1615 | Q1W1D8 | Ecstasy | -5.128 |
| 8398 | (OBP23) | N-phenyl-2-napthylamine | -4.655 |
| 16078 | Q1W1E0 | Dronobinal cannabis | -7.604 |
| 1615 | (OBP24) | Ecstasy | -6.752 |
| 5760 | Q5VK57 | Crack cocaine | -7.195 |
| 5760 | (OBP25) | Crack cocaine | -7.136 |
| 4095 | V91HTO | Methadone | -3.336 |
| 4544 | (OBP26) | Narcotine | -3.08 |
| 8398 | MODEL 2 (OBP27) | N-phenyl-2-Napthylamine | -5.308 |
| 5826 | amphetamine | -5.173 | |
| 8398 | Q8WRW2 (OBP28) | N-phenyl-2-Napthylamine | -7.749 |
| 6654 | 0plasticizer | -7.082 | |
| 8398 | V9VFX4 | N-phenyl-2-Napthylamine | -5.308 |
| 5826 | (OBP29) | Amphetamine | -5.173 |
| 5760 | V91F66 | Crack cocaine | -8.578 |
| 1615 | (OBP30) | Ecstasy | -7.867 |
| 1615 | X2GEC7 | Ecstasy | -6.243 |
| 5826 | (OBP31) | Amphetamine | -6.079 |