smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])CCCP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000026397711	563027372	/nfs/dbraw/zinc/02/73/72/563027372.db2.gz	DPYCUHBHVJJTTE-AXFHLTTASA-N	-3	3	453.285	0.581	1	10		JCCFHL
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2cc([O-])c3c(c2)C(=O)c2cc(C)cc([O-])c2C3=O)O[C@@H](C)[C@@H]1O	ZINC000036454893	563130223	/nfs/dbraw/zinc/13/02/23/563130223.db2.gz	WTLFLLSVDCLRFY-KTLGGQSLSA-N	-2	3	458.419	0.959	1	10		JCCFHL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])CCCP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000040685181	563147372	/nfs/dbraw/zinc/14/73/72/563147372.db2.gz	DPYCUHBHVJJTTE-DCAQKATOSA-N	-3	3	453.285	0.581	1	10		JCCFHL
CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000040867178	563151299	/nfs/dbraw/zinc/15/12/99/563151299.db2.gz	LIWXTCBUPGMGOH-KTLGGQSLSA-N	-2	3	458.419	0.959	1	10		JCCFHL
COc1ccc(-c2cc([O-])c3c(=O)c(O)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc-3o2)cc1	ZINC000059737485	560082311	/nfs/dbraw/zinc/08/23/11/560082311.db2.gz	COHYXLXOTCUVTQ-SXFAUFNYSA-N	-2	3	476.390	0.151	1	10	biogenic,in-vitro	JCCFHL
COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c(O)c([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000085644942	291437328	/nfs/dbraw/zinc/43/73/28/291437328.db2.gz	UDDKPQBVOBXALG-IMIGJDJTSA-N	-2	3	476.390	0.151	1	10	biogenic,in-vitro	JCCFHL