smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2[nH]c(N=NN3CCC[C@H]3C(=O)[O-])nc2c(=O)n(C)c1=O ZINC000252678640 381986273 /nfs/dbraw/zinc/98/62/73/381986273.db2.gz GSEIXUXUCLUYKD-LURJTMIESA-N -1 2 321.297 -0.492 50 10 biogenic DBCALM