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)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O ZINC000095607315 185382731 /nfs/dbraw/zinc/38/27/31/185382731.db2.gz TXGBFMUJGCQMKI-UHFFFAOYSA-N 0 2 308.212 2.029 1 5 DEBFLN COc1ccc(OC)c2c1cc1c(=O)nc(SC)nc-1n2C ZINC000028651772 182534234 /nfs/dbraw/zinc/53/42/34/182534234.db2.gz ASIPGSZSRFWZCV-UHFFFAOYSA-N 0 2 317.370 2.172 1 5 DEBFLN