smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](CCCCNc1[nH+]ccc2c1NC(=O)CO2)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001160601161 1060027778 /nfs/dbraw/zinc/02/77/78/1060027778.db2.gz IJWCFRSDXSZADS-IDISGSTGSA-N 2 1 500.555 3.245 20 0 KGADMP [NH3+][C@@H](CCCCNc1[nH+]ccc2c1NC(=O)CO2)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001160601162 1060027662 /nfs/dbraw/zinc/02/76/62/1060027662.db2.gz IJWCFRSDXSZADS-KDYSTLNUSA-N 2 1 500.555 3.245 20 0 KGADMP