smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H](C1CCCCC1)C(F)(F)F 78676886 168036636 /nfs/dbraw/zinc/03/66/36/168036636.db2.gz QAKGMUMWTVXEOI-QMMMGPOBSA-N 1 2 195.228 2.717 30 0 AFACLO C[NH2+][C@H](C1CCCCC1)C(F)(F)F 78676888 168052822 /nfs/dbraw/zinc/05/28/22/168052822.db2.gz QAKGMUMWTVXEOI-MRVPVSSYSA-N 1 2 195.228 2.717 30 0 AFACLO