smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000001199584 132241908 /nfs/dbraw/zinc/24/19/08/132241908.db2.gz YZLCOGUCYSXARL-SFQUDFHCSA-N -1 0 417.377 4.670 10 10 HJCERM O=C([N-]N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)c1cccs1 ZINC000001411662 557259349 /nfs/dbraw/zinc/25/93/49/557259349.db2.gz AZFHWLRNWSXQIX-WJDWOHSUSA-N -1 0 412.517 4.554 10 10 HJCERM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccccc1 ZINC000001173986 132240226 /nfs/dbraw/zinc/24/02/26/132240226.db2.gz BZZRYPZQNODVPD-AQTBWJFISA-N -1 0 407.882 4.802 10 10 HJCERM