smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101642635 208395866 /nfs/dbraw/zinc/39/58/66/208395866.db2.gz ZZHWDUZTBUKEST-UHFFFAOYSA-N 1 3 387.483 3.174 1 30 GGEFHO NCCC[NH2+]CCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101642635 208395873 /nfs/dbraw/zinc/39/58/73/208395873.db2.gz ZZHWDUZTBUKEST-UHFFFAOYSA-N 1 3 387.483 3.174 1 30 GGEFHO