smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000008834682 554732883 /nfs/dbraw/zinc/73/28/83/554732883.db2.gz DASWFEKFOJEUKP-WOJBJXKFSA-N 1 3 478.590 -0.439 50 0 JBAAHO NC(=O)C1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000008834685 554732905 /nfs/dbraw/zinc/73/29/05/554732905.db2.gz DASWFEKFOJEUKP-PMACEKPBSA-N 1 3 478.590 -0.439 50 0 JBAAHO