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-])c1cc(Nc2cc(Cl)cc(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC001176679790 1052163369 /nfs/dbraw/zinc/16/33/69/1052163369.db2.gz NOJWXPWXFHLNKH-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001174505201 1051037819 /nfs/dbraw/zinc/03/78/19/1051037819.db2.gz UCFUTIVNIODXCK-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL O=C([O-])c1cc(Nc2ccc(Cl)c(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC001176679509 1052163549 /nfs/dbraw/zinc/16/35/49/1052163549.db2.gz IBEANFZVOMLUKL-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL O=C([O-])c1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1[N+](=O)[O-] ZINC001174505460 1051039064 /nfs/dbraw/zinc/03/90/64/1051039064.db2.gz ZAHJIAIROPKTHE-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001174505051 1051036541 /nfs/dbraw/zinc/03/65/41/1051036541.db2.gz MGQDFGFLXJZATH-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL O=C([O-])c1cc(Nc2cc(Cl)c([O-])cc2Cl)cc([N+](=O)[O-])c1 ZINC001176678928 1052161442 /nfs/dbraw/zinc/16/14/42/1052161442.db2.gz CLVAFSBEZYVOKS-UHFFFAOYSA-N -2 0 343.122 4.049 20 5 EIBDRL