smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3nc2c1 ZINC000005139520 181208867 /nfs/dbraw/zinc/20/88/67/181208867.db2.gz AKEZAUUAKLJLRE-UHFFFAOYSA-N 0 3 321.468 5.080 1 5 DKBFHN CC(C)(C)c1cc2cc3cc(C(C)(C)C)c(N)cc3nc2cc1N ZINC000005314324 181229106 /nfs/dbraw/zinc/22/91/06/181229106.db2.gz MJGGZONRLLIBJX-UHFFFAOYSA-N 0 3 321.468 5.147 1 5 DKBFHN