smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NC1=NN(C)C(=O)C1=O 34538525 572090742 /nfs/dbraw/zinc/09/07/42/572090742.db2.gz CPPOQBXSPJTYCD-UHFFFAOYSA-N 0 1 169.140 -1.523 10 10 AACEMN CCNC=C1C(=O)NC(=O)NC1=O 307642557 346164183 /nfs/dbraw/zinc/16/41/83/346164183.db2.gz KHDRHLLWAFSJOJ-UHFFFAOYSA-N 0 1 183.167 -1.154 10 10 AACEMN N#[N+]c1[n-]cnc1C(N)=O 83317813 351644372 /nfs/dbraw/zinc/64/43/72/351644372.db2.gz IKZLMSPFYNDYIL-UHFFFAOYSA-N 0 1 137.102 -1.417 10 10 AACEMN