smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1C[C@H](CO)[C@H]3O1 ZINC000003784268 581099580 /nfs/dbraw/zinc/09/95/80/581099580.db2.gz NVSJOASGKCGXBZ-SYLNULQMSA-N -1 3 423.428 3.826 1 5 HHBFHM