smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CCl ZINC000095858495 717140023 /nfs/dbraw/zinc/14/00/23/717140023.db2.gz ROUWPGVROGNVAW-KRWDZBQOSA-N 1 0 306.942 4.583 10 50 DJGERO CCCCCCCCCCCC[N+](C)(C)C[C@H](O)CCl ZINC000095858494 717140223 /nfs/dbraw/zinc/14/02/23/717140223.db2.gz ROUWPGVROGNVAW-QGZVFWFLSA-N 1 0 306.942 4.583 10 50 DJGERO CCCC[N+](CCCC)(CCCC)CCCBr ZINC000002510863 717094769 /nfs/dbraw/zinc/09/47/69/717094769.db2.gz LNUIDVVKZBNILX-UHFFFAOYSA-N 1 0 307.340 4.989 10 50 in-vitro DJGERO