smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1 ZINC000103787051 407343579 /nfs/dbraw/zinc/34/35/79/407343579.db2.gz JPTLPTGHOSFACX-YVMONPNESA-N -2 0 302.290 1.620 40 10 DDCBRL O=Cc1cc(O)c([O-])c(O)c1-c1c(O)c([O-])c(O)cc1C=O ZINC000005824259 696015593 /nfs/dbraw/zinc/01/55/93/696015593.db2.gz KIYPEIJLQVMIMH-UHFFFAOYSA-N -2 0 306.226 1.212 40 10 DDCBRL O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C(=O)N1 ZINC000003157519 304656265 /nfs/dbraw/zinc/65/62/65/304656265.db2.gz BIECRONLKCJLTO-UHFFFAOYSA-N -2 0 301.085 1.448 40 10 DDCBRL O=c1c(=O)c(=C([O-])c2ccccc2)c(=O)c1=C([O-])c1ccccc1 ZINC000104366063 194002517 /nfs/dbraw/zinc/00/25/17/194002517.db2.gz LTXGUVKIICCYCN-KBPBESRZSA-N -2 0 320.300 1.706 40 10 DDCBRL O=c1oc2c(O)c([O-])c(O)c3c(=O)oc4c(O)c([O-])cc1c4c23 ZINC000005784243 304819567 /nfs/dbraw/zinc/81/95/67/304819567.db2.gz ZFLBHPZBJRWSJR-UHFFFAOYSA-N -2 0 318.193 1.018 40 10 DDCBRL O=c1c(=O)c(=C([O-])c2ccccc2)c(=O)c1=C([O-])c1ccccc1 ZINC000104366067 194002588 /nfs/dbraw/zinc/00/25/88/194002588.db2.gz LTXGUVKIICCYCN-ZIAGYGMSSA-N -2 0 320.300 1.706 40 10 DDCBRL O=c1c(=O)c(=C([O-])c2ccccc2)c(=O)c1=C([O-])c1ccccc1 ZINC000104366058 194002479 /nfs/dbraw/zinc/00/24/79/194002479.db2.gz LTXGUVKIICCYCN-OKILXGFUSA-N -2 0 320.300 1.706 40 10 DDCBRL