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)Cc1cc([N+](=O)[O-])ccc1O 59784062 343347540 /nfs/dbraw/zinc/34/75/40/343347540.db2.gz KUXCNLALBPWCNO-UHFFFAOYSA-N 0 1 195.218 2.499 20 5 AEBDMN CCN(C)Cc1ccccc1[N+](=O)[O-] 603581597 346956439 /nfs/dbraw/zinc/95/64/39/346956439.db2.gz VDRMTHHTAAUHIN-UHFFFAOYSA-N 0 1 194.234 2.047 20 5 AEBDMN