smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCCC(C)(C)C(=N)C1=N 101014110 573837461 /nfs/dbraw/zinc/83/74/61/573837461.db2.gz YQZLUHIVBMMFNQ-UHFFFAOYSA-N 0 3 180.295 3.262 50 10 AGCAHN C1=C(N2CCCCC2)Cc2ccccc21 55120950 166072985 /nfs/dbraw/zinc/07/29/85/166072985.db2.gz VIZQUAMFAFOSLS-UHFFFAOYSA-N 0 3 199.297 3.070 50 10 AGCAHN