smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC=C2C(=O)NC(=S)NC2=O)[nH+]1 ZINC000012622424 348020705 /nfs/dbraw/zinc/02/07/05/348020705.db2.gz UBAIZQYMTGGXFA-UHFFFAOYSA-N -1 2 262.294 0.217 50 10 CCCALM O=C1NC(=O)C(=Cc2cccc([N+](=O)[O-])c2[O-])C(=O)N1 ZINC000003897747 347987213 /nfs/dbraw/zinc/98/72/13/347987213.db2.gz AQJBPFFHRKLHMC-UHFFFAOYSA-N -1 2 277.192 0.050 50 10 CCCALM O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1 ZINC000012428562 304656187 /nfs/dbraw/zinc/65/61/87/304656187.db2.gz RWQZDFKRLTZNJO-UHFFFAOYSA-N -1 2 277.192 0.050 50 10 CCCALM Cc1ccc[nH+]c1NC=C1C(=O)NC(=S)NC1=O ZINC000002416107 388756338 /nfs/dbraw/zinc/75/63/38/388756338.db2.gz OQDOHBTZGBDTPU-UHFFFAOYSA-N -1 2 262.294 0.217 50 10 CCCALM