smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000216626295 336277930 /nfs/dbraw/zinc/27/79/30/336277930.db2.gz AMGNZZFUDXLPKC-AWEZNQCLSA-N -1 1 305.377 4.379 20 70 DIIDMM C[C@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000216626348 336277932 /nfs/dbraw/zinc/27/79/32/336277932.db2.gz AMGNZZFUDXLPKC-CQSZACIVSA-N -1 1 305.377 4.379 20 70 DIIDMM Cc1nc(-c2ccc(NC(=O)c3ccccc3[O-])cc2)cs1 ZINC000217487301 340488287 /nfs/dbraw/zinc/48/82/87/340488287.db2.gz CGASSFYTLVOZIB-UHFFFAOYSA-N -1 1 310.378 4.076 20 70 DIIDMM O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1[O-] ZINC000218311537 340494632 /nfs/dbraw/zinc/49/46/32/340494632.db2.gz QQBRWACVQJGKQC-UHFFFAOYSA-N -1 1 303.361 4.235 20 70 DIIDMM CCN(Cc1cccs1)C(=O)c1cc2ccccc2cc1[O-] ZINC000216646215 336279682 /nfs/dbraw/zinc/27/96/82/336279682.db2.gz WDEZOPWPFCMTPA-UHFFFAOYSA-N -1 1 311.406 4.269 20 70 DIIDMM C[C@@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2cc1[O-] ZINC000218276110 340494348 /nfs/dbraw/zinc/49/43/48/340494348.db2.gz DOOWJTSDTNUIHA-CYBMUJFWSA-N -1 1 303.361 4.137 20 70 DIIDMM