smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c([n-]1)ncc(C(=O)N1CCC3(CC1)N=C(N(C)C)NC3=O)c2=O ZINC000218064865 206368012 /nfs/dbraw/zinc/36/80/12/206368012.db2.gz DKMWKUWXJQALPN-UHFFFAOYSA-N -1 0 372.389 -1.252 50 70 FAIARM