smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O ZINC000040394307 183060568 /nfs/dbraw/zinc/06/05/68/183060568.db2.gz MERMDRROGGVGCD-MLTZYSBQSA-N -1 3 309.242 -1.631 1 10 DACFHM C[C@@H]1O[C@@H](OC(=O)c2cc(O)c([O-])c(O)c2)[C@H](O)[C@H](O)[C@H]1O ZINC000095911568 565179633 /nfs/dbraw/zinc/17/96/33/565179633.db2.gz MQMJAAMHVGEVTB-FWMKHJMESA-N -1 3 316.262 -1.212 1 10 biogenic,in-vitro DACFHM