smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] 32166900 571969662 /nfs/dbraw/zinc/96/96/62/571969662.db2.gz FQRABQRWKFQKRQ-SSDOTTSWSA-N -1 1 195.218 2.814 10 5 AFBEMM O=[N+]([O-])c1cc2c([O-])cccc2s1 39294032 171077969 /nfs/dbraw/zinc/07/79/69/171077969.db2.gz BBWUTNQQPRVXKW-UHFFFAOYSA-N -1 1 195.199 2.515 10 5 AFBEMM