smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@@H](C)C(=O)OCC[N+](C)(C)CC[N+](C)(C)CCOC(=O)[C@H](C)OC(C)=O ZINC000005734688 556064226 /nfs/dbraw/zinc/06/42/26/556064226.db2.gz HINKDUNMQBHSRV-HOTGVXAUSA-N 2 0 434.530 0.129 40 5 ICBBRP CC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)CC[N+](C)(C)CCOC(=O)[C@@H](C)OC(C)=O ZINC000005751097 556064924 /nfs/dbraw/zinc/06/49/24/556064924.db2.gz HINKDUNMQBHSRV-HZPDHXFCSA-N 2 0 434.530 0.129 40 5 ICBBRP CC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)CC[N+](C)(C)CCOC(=O)[C@H](C)OC(C)=O ZINC000031983133 556528151 /nfs/dbraw/zinc/52/81/51/556528151.db2.gz HINKDUNMQBHSRV-IYBDPMFKSA-N 2 0 434.530 0.129 40 5 ICBBRP