smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CC(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000216899182 394452877 /nfs/dbraw/zinc/45/28/77/394452877.db2.gz BJKMMXHKVGDSCV-UHFFFAOYSA-N 2 0 295.471 2.101 40 70 CEIBRP CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](C)C1 ZINC000216912577 529199986 /nfs/dbraw/zinc/19/99/86/529199986.db2.gz HHRJHJBCZLZZHN-CVEARBPZSA-N 2 0 295.471 2.099 40 70 CEIBRP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+](C)C1 ZINC000216912549 529271775 /nfs/dbraw/zinc/27/17/75/529271775.db2.gz HHRJHJBCZLZZHN-HZPDHXFCSA-N 2 0 295.471 2.099 40 70 CEIBRP