smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000002751876 212062711 /nfs/dbraw/zinc/06/27/11/212062711.db2.gz KNULLPDEDJBSLA-UHFFFAOYSA-N -2 1 385.195 0.827 40 10 GCCBML COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000113832578 533717276 /nfs/dbraw/zinc/71/72/76/533717276.db2.gz NIINQIBJUVMKGI-UHFFFAOYSA-N -2 1 399.153 0.671 40 10 GCCBML COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)[O-] ZINC000113832578 533717282 /nfs/dbraw/zinc/71/72/82/533717282.db2.gz NIINQIBJUVMKGI-UHFFFAOYSA-N -2 1 399.153 0.671 40 10 GCCBML