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)(C)c1cc(O)ccc1[N+](=O)[O-] 19801477 166384048 /nfs/dbraw/zinc/38/40/48/166384048.db2.gz MVPHMJZSIXHKOP-UHFFFAOYSA-N 0 1 195.218 2.598 10 5 AFBEMN CCCCc1ccc(O)c([N+](=O)[O-])c1 31351471 521286635 /nfs/dbraw/zinc/28/66/35/521286635.db2.gz YNCKBAUMTMYXSC-UHFFFAOYSA-N 0 1 195.218 2.643 10 5 AFBEMN