smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1([NH3+])CC[NH+]([C@H](C)c2ccccc2O)CC1 ZINC000714759181 712497797 /nfs/dbraw/zinc/49/77/97/712497797.db2.gz RNEYCBUARQEITD-GFCCVEGCSA-N 2 0 248.370 2.657 10 10 BFCERP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccccc2O)CC1 ZINC000714759187 712497873 /nfs/dbraw/zinc/49/78/73/712497873.db2.gz RNEYCBUARQEITD-LBPRGKRZSA-N 2 0 248.370 2.657 10 10 BFCERP