smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS[C@H]1NC(=[NH2+])Nc2[nH]cc(C[NH2+][C@H]3C=C[C@H](O)[C@@H]3O)c21 ZINC000029468058 182565786 /nfs/dbraw/zinc/56/57/86/182565786.db2.gz DKPKKMCTTPQAAT-ZOWUKKRWSA-N 2 1 309.395 -0.134 1 0 DBAFMP