smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000038140851 563131266 /nfs/dbraw/zinc/13/12/66/563131266.db2.gz TWQXYZMHAJNPCQ-QHCPKHFHSA-N 0 3 465.506 3.336 10 5 JGBEHN COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000036387484 563129248 /nfs/dbraw/zinc/12/92/48/563129248.db2.gz TWQXYZMHAJNPCQ-HSZRJFAPSA-N 0 3 465.506 3.336 10 5 JGBEHN