smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(C)cnc1[N-]S(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C(=O)[O-])cc1 ZINC000000602130 553711417 /nfs/dbraw/zinc/71/14/17/553711417.db2.gz CDBNTQYPMBJKQZ-UHFFFAOYSA-N -2 0 456.524 3.310 10 0 investigational JGAERL COc1cc(OCCOc2ccc(/C=C(/C#N)C(=O)[O-])c(OC)c2)ccc1/C=C(/C#N)C(=O)[O-] ZINC000048545569 569846413 /nfs/dbraw/zinc/84/64/13/569846413.db2.gz LNMOTHXEZCGYQJ-XFQWXJFMSA-N -2 0 464.430 3.145 10 0 JGAERL O=S(=O)(c1cc(O)ccc1[O-])c1cccc2c1cccc2S(=O)(=O)c1cc(O)ccc1[O-] ZINC000015769700 563011733 /nfs/dbraw/zinc/01/17/33/563011733.db2.gz QQILNJKVNOAUNH-UHFFFAOYSA-N -2 0 472.496 3.328 10 0 JGAERL O=C1OC2(c3ccccc31)c1ccc(OP(=O)([O-])[O-])cc1Oc1cc(OP(=O)([O-])[O-])ccc12 ZINC000014953438 527092549 /nfs/dbraw/zinc/09/25/49/527092549.db2.gz IMZBXSAKACGTPH-UHFFFAOYSA-N -4 0 492.269 3.198 10 0 JGAERL COc1ccc(S(=O)(=O)c2c([O-])[n-]c3cc(C(=O)Nc4ccccc4)ccc3c2=O)cc1 ZINC000015962593 556093477 /nfs/dbraw/zinc/09/34/77/556093477.db2.gz ZJSSCCWIFDYNEF-UHFFFAOYSA-N -2 0 450.472 3.327 10 0 JGAERL COc1ccc2c(oc(C)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1OP(=O)([O-])[O-] ZINC000043171709 525618938 /nfs/dbraw/zinc/61/89/38/525618938.db2.gz MYDHDVLPMRNDAZ-UHFFFAOYSA-N -2 0 452.352 3.478 10 0 JGAERL