smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-] ZINC000002110828 569283988 /nfs/dbraw/zinc/28/39/88/569283988.db2.gz QAAKQZNJWDLTCT-UHFFFAOYSA-N -2 1 419.390 -0.827 50 0 biogenic HBAAML Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O1 ZINC000012495199 558423782 /nfs/dbraw/zinc/42/37/82/558423782.db2.gz DAEAPNUQQAICNR-XVMARJQXSA-N -2 1 411.204 -0.717 50 0 endogenous,in-man HBAAML Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O1 ZINC000012495199 558423780 /nfs/dbraw/zinc/42/37/80/558423780.db2.gz DAEAPNUQQAICNR-XVMARJQXSA-N -2 1 411.204 -0.717 50 0 endogenous,in-man HBAAML Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O1 ZINC000013434873 558532899 /nfs/dbraw/zinc/53/28/99/558532899.db2.gz DAEAPNUQQAICNR-ACZMJKKPSA-N -2 1 411.204 -0.717 50 0 HBAAML Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O1 ZINC000013434873 558532896 /nfs/dbraw/zinc/53/28/96/558532896.db2.gz DAEAPNUQQAICNR-ACZMJKKPSA-N -2 1 411.204 -0.717 50 0 HBAAML