smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cc(Cl)cc(Br)c3[O-])C2=O)cc1 ZINC000001191973 194065952 /nfs/dbraw/zinc/06/59/52/194065952.db2.gz XAVLFTXWTXEZPS-RIYZIHGNSA-N -2 1 465.687 3.446 10 10 JGCEML