smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762993885 1077989585 /nfs/dbraw/zinc/98/95/85/1077989585.db2.gz DCSNLBWJYXFKBZ-NRFANRHFSA-N 2 1 405.543 0.573 20 10 HCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762993887 1077989065 /nfs/dbraw/zinc/98/90/65/1077989065.db2.gz DCSNLBWJYXFKBZ-OAQYLSRUSA-N 2 1 405.543 0.573 20 10 HCCDMP