smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc2c(cc1[O-])oc(=O)c1ccccc21 ZINC000000121045 342675419 /nfs/dbraw/zinc/67/54/19/342675419.db2.gz LPSOMCWYWZGPLN-UHFFFAOYSA-N -1 1 240.258 3.214 50 5 BGBAMM CCc1cc([N+](=O)[O-])c([O-])c(C(C)(C)C)c1 ZINC000019732260 635844819 /nfs/dbraw/zinc/84/48/19/635844819.db2.gz NYCFCMYGEDQSMT-UHFFFAOYSA-N -1 1 223.272 3.160 50 5 BGBAMM CCCc1cc([N+](=O)[O-])cc(CCC)c1[O-] ZINC000038235286 372525713 /nfs/dbraw/zinc/52/57/13/372525713.db2.gz CUXHAUJZXZZHER-UHFFFAOYSA-N -1 1 223.272 3.205 50 5 BGBAMM Cc1cc([O-])cc2sc3ccccc3c(=O)c12 ZINC000059520393 178199479 /nfs/dbraw/zinc/19/94/79/178199479.db2.gz KMSDWCLCAMXAJH-UHFFFAOYSA-N -1 1 242.299 3.429 50 5 BGBAMM