smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCS(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-] ZINC000092778652 349505460 /nfs/dbraw/zinc/50/54/60/349505460.db2.gz BMVBDFYBHIVNNN-SNVBAGLBSA-N -1 1 287.341 0.351 10 0 CCAEMM O=c1cc(CN2CCO[C@@H](CO)C2)c2ccc([O-])cc2o1 ZINC000094268328 349565187 /nfs/dbraw/zinc/56/51/87/349565187.db2.gz CUPBPGLWTYEKCC-GFCCVEGCSA-N -1 1 291.303 0.692 10 0 CCAEMM C[C@@H]1C(=O)NCCCN1C(=O)c1ccc([O-])cc1F ZINC000188077339 136917623 /nfs/dbraw/zinc/91/76/23/136917623.db2.gz FKXJTYWOLVWUCP-MRVPVSSYSA-N -1 1 266.272 0.882 10 0 CCAEMM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000054071137 348540567 /nfs/dbraw/zinc/54/05/67/348540567.db2.gz RDGNGCNTYBFGFZ-SKDRFNHKSA-N -1 1 262.309 0.805 10 0 CCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c1Cl ZINC000089169736 349379059 /nfs/dbraw/zinc/37/90/59/349379059.db2.gz PWPQEWPSGYGHSG-HTQZYQBOSA-N -1 1 293.776 0.513 10 0 CCAEMM 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