smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C(F)=C(C)[O-] 100038524 166235690 /nfs/dbraw/zinc/23/56/90/166235690.db2.gz LELFVORHOKZNGY-UHFFFAOYSA-N -1 3 118.107 0.503 30 0 ACACHM FC(F)(F)c1cnn[n-]1 85344459 169072273 /nfs/dbraw/zinc/07/22/73/169072273.db2.gz DIBFBUQGVMZWTM-UHFFFAOYSA-N -1 3 137.064 0.824 30 0 ACACHM FC(F)(F)c1c[n-]nn1 85344459 169072275 /nfs/dbraw/zinc/07/22/75/169072275.db2.gz DIBFBUQGVMZWTM-UHFFFAOYSA-N -1 3 137.064 0.824 30 0 ACACHM FC(F)(F)c1cn[n-]n1 85344459 169072276 /nfs/dbraw/zinc/07/22/76/169072276.db2.gz DIBFBUQGVMZWTM-UHFFFAOYSA-N -1 3 137.064 0.824 30 0 ACACHM