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-])c1ccc([O-])cc1/C=C\c1ccc2ccccc2n1 ZINC000433801491 330631564 /nfs/dbraw/zinc/63/15/64/330631564.db2.gz KSJMFGLUCCDSRJ-VURMDHGXSA-N -1 0 292.294 4.019 20 5 CIBDRM O=[N+]([O-])c1ccc(/C=C\c2ccc3ccccc3n2)cc1[O-] ZINC000498284293 331447637 /nfs/dbraw/zinc/44/76/37/331447637.db2.gz DZCZWCIPIAFKAQ-YVMONPNESA-N -1 0 292.294 4.019 20 5 CIBDRM O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3s2)cc1[O-] ZINC000303039161 332901277 /nfs/dbraw/zinc/90/12/77/332901277.db2.gz POCCGLHHGSEMSF-SOFGYWHQSA-N -1 0 298.323 4.081 20 5 CIBDRM