smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCNC(=O)[C@@H]([NH3+])Cc1ccc(N(CCCl)CCCl)cc1 ZINC000026253061 717114229 /nfs/dbraw/zinc/11/42/29/717114229.db2.gz KWCGGXMCYJTXJX-SFHVURJKSA-O 2 0 404.406 2.053 1 50 HEGFRP C[N+](C)(C)CCCNC(=O)[C@H]([NH3+])Cc1ccc(N(CCCl)CCCl)cc1 ZINC000026253066 717114244 /nfs/dbraw/zinc/11/42/44/717114244.db2.gz KWCGGXMCYJTXJX-GOSISDBHSA-O 2 0 404.406 2.053 1 50 HEGFRP