smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Cl)C(=O)[C@@H]1CCC[N@@H+](C)C1 259478260 573495958 /nfs/dbraw/zinc/49/59/58/573495958.db2.gz XZAXDNHHNGPPDC-HTQZYQBOSA-N 1 1 189.686 1.525 10 50 ADGEMO C[C@@H](Cl)C(=O)[C@H]1CCC[N@@H+](C)C1 259478264 573495083 /nfs/dbraw/zinc/49/50/83/573495083.db2.gz XZAXDNHHNGPPDC-SFYZADRCSA-N 1 1 189.686 1.525 10 50 ADGEMO C[C@H](Cl)C(=O)[C@H]1CCC[N@@H+](C)C1 259478268 573498398 /nfs/dbraw/zinc/49/83/98/573498398.db2.gz XZAXDNHHNGPPDC-YUMQZZPRSA-N 1 1 189.686 1.525 10 50 ADGEMO C[N@H+]1CC[C@@H](C(=O)CCCl)C1 259294530 574040806 /nfs/dbraw/zinc/04/08/06/574040806.db2.gz VXGLIMNCIAWXPL-SSDOTTSWSA-N 1 1 175.659 1.136 10 50 ADGEMO C[N@H+]1CC[C@H](C(=O)CCCl)C1 259294531 574042760 /nfs/dbraw/zinc/04/27/60/574042760.db2.gz VXGLIMNCIAWXPL-ZETCQYMHSA-N 1 1 175.659 1.136 10 50 ADGEMO