smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1[nH]c(=N/N=C1\C(=O)[N-]C(=O)NC1=O)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000008636786 557797804 /nfs/dbraw/zinc/79/78/04/557797804.db2.gz PQGFECBOKPFDPT-UOCWYQSESA-N -1 2 421.330 -3.846 50 30 HAEALM Nc1ncnc2c1[nH]c(=N/N=C1/C(=O)[N-]C(=O)NC1=O)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000008636786 557797802 /nfs/dbraw/zinc/79/78/02/557797802.db2.gz PQGFECBOKPFDPT-UOCWYQSESA-N -1 2 421.330 -3.846 50 30 HAEALM