smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=N/c1ccccc1)\Nc1ccccc1 1866990 166047059 /nfs/dbraw/zinc/04/70/59/166047059.db2.gz ZQUVDXMUKIVNOW-UHFFFAOYSA-N 0 1 196.253 3.459 50 30 in-vitro AGEAMN CC(C)/N=C/c1ccc(Cl)cc1 71773851 171108492 /nfs/dbraw/zinc/10/84/92/171108492.db2.gz ZOCJZUIYLKHYFJ-KPKJPENVSA-N 0 1 181.666 3.167 50 30 AGEAMN