smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1ccc(N2CCN(Cc3c[nH]nn3)C[C@@H](O)C2)nc1 ZINC000217089321 373069931 /nfs/dbraw/zinc/06/99/31/373069931.db2.gz DJTVZUIRYSJJRU-GFCCVEGCSA-N 0 1 317.353 -1.018 50 70 DAIAMN