smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-][N+]([O-])([O-])C[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O ZINC000169697574 717157061 /nfs/dbraw/zinc/15/70/61/717157061.db2.gz LQGVCUKRGRNXFR-IDTAVKCVSA-N -2 0 416.822 0.546 1 5 HCBFRL