smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164775029 721303495 /nfs/dbraw/zinc/30/34/95/721303495.db2.gz MXDXWYXWWXDVER-UHFFFAOYSA-N 1 1 420.560 5.209 20 30 HKEDMO CCN(CCC#N)c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001165047436 721987538 /nfs/dbraw/zinc/98/75/38/721987538.db2.gz ADWSRCRLJIMMPY-UHFFFAOYSA-N 1 1 405.571 5.084 20 30 HKEDMO