smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[N+]3(CCl)C2)[C@@H](O)[C@H](OC)[C@H]1O ZINC000238777317 717163186 /nfs/dbraw/zinc/16/31/86/717163186.db2.gz RPTSKQLZQCOURX-KGYAFDDHSA-N 1 0 382.864 1.373 1 50 GDGFRO C/C1=C/C(=O)O[C@@H]2CC[N+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000137925038 717151420 /nfs/dbraw/zinc/15/14/20/717151420.db2.gz LGHRCDVEZVROEB-DDYGGJQXSA-N 1 0 386.896 1.984 1 50 GDGFRO