smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC/C=C(\CC(=O)[O-])C(=O)[O-] ZINC000001758036 169755149 /nfs/dbraw/zinc/75/51/49/169755149.db2.gz XMNQOFCTLYALPR-ZRDIBKRKSA-N -2 0 256.342 3.613 40 30 CHEBRL C=CCCCCCCCC/C(=C/CC(=O)[O-])C(=O)[O-] ZINC000013434034 567019362 /nfs/dbraw/zinc/01/93/62/567019362.db2.gz GAZHKBVZIMUZLZ-QBFSEMIESA-N -2 0 268.353 3.779 40 30 biogenic,in-vitro CHEBRL CC(C)=CCc1cc(C(=O)[O-])cc(C(=O)C=C(C)C)c1[O-] ZINC000014444507 567914717 /nfs/dbraw/zinc/91/47/17/567914717.db2.gz MRQCEQPYILVFQS-UHFFFAOYSA-N -2 0 288.343 3.748 40 30 biogenic CHEBRL C=CCCCCCCCC[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000072320482 176368921 /nfs/dbraw/zinc/36/89/21/176368921.db2.gz BQDDETQOEIBFGQ-ZDUSSCGKSA-N -2 0 270.369 3.859 40 30 biogenic,in-vitro CHEBRL C=CCCCCCCCC[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000072320483 176368780 /nfs/dbraw/zinc/36/87/80/176368780.db2.gz BQDDETQOEIBFGQ-CYBMUJFWSA-N -2 0 270.369 3.859 40 30 biogenic,in-vitro CHEBRL CCCCCCCCC/C=C(/CC(=O)[O-])C(=O)[O-] ZINC000001758038 169755115 /nfs/dbraw/zinc/75/51/15/169755115.db2.gz XMNQOFCTLYALPR-BENRWUELSA-N -2 0 256.342 3.613 40 30 CHEBRL CCCCCCCCCCCC(C(=O)[O-])C(=O)[O-] ZINC000001871089 567018954 /nfs/dbraw/zinc/01/89/54/567018954.db2.gz WMRCTEPOPAZMMN-UHFFFAOYSA-N -2 0 258.358 3.693 40 30 CHEBRL