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)c(-c2nc3c([nH]2)c2ccccc2c2ccccc32)c1 ZINC000004854743 206181836 /nfs/dbraw/zinc/18/18/36/206181836.db2.gz YKGJROCVAKPIDB-UHFFFAOYSA-N 0 2 355.353 5.150 40 5 FKBBLN O=[N+]([O-])c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=S ZINC000008436345 207233144 /nfs/dbraw/zinc/23/31/44/207233144.db2.gz LMKLEIFRRXCIQL-UHFFFAOYSA-N 0 2 361.220 5.235 40 5 FKBBLN