smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](c2ccc(O)c(O)c2)C[C@@H]1O	ZINC000013492597	562969851	/nfs/dbraw/zinc/96/98/51/562969851.db2.gz	DOLYIXVOGYKSHD-HBNTYKKESA-N	-4	0	466.165	0.632	1	10		JCCFRL
O=C([O-])[C@H](OC(=O)Cc1ccc(O)c(O)c1)[C@@H](OC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013556365	562973815	/nfs/dbraw/zinc/97/38/15/562973815.db2.gz	HLHYYKPOHCCJGX-QZTJIDSGSA-N	-2	0	450.352	0.287	1	10		JCCFRL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])CCC[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000026397711	563027370	/nfs/dbraw/zinc/02/73/70/563027370.db2.gz	DPYCUHBHVJJTTE-AXFHLTTASA-N	-2	0	453.285	0.581	1	10		JCCFRL
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCC(=O)[O-])[C@@H](C)CC	ZINC000026651889	563032170	/nfs/dbraw/zinc/03/21/70/563032170.db2.gz	FJOOVUXYFAXWST-NUTKFTJISA-N	-2	0	458.452	0.638	1	10		JCCFRL
O=C([O-])[C@H](OC(=O)Cc1ccc(O)c(O)c1)[C@H](OC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000027557228	563046520	/nfs/dbraw/zinc/04/65/20/563046520.db2.gz	HLHYYKPOHCCJGX-HDICACEKSA-N	-2	0	450.352	0.287	1	10		JCCFRL
O=C([O-])[C@@H](OC(=O)Cc1ccc(O)c(O)c1)[C@H](OC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000027557231	563046505	/nfs/dbraw/zinc/04/65/05/563046505.db2.gz	HLHYYKPOHCCJGX-ROUUACIJSA-N	-2	0	450.352	0.287	1	10		JCCFRL
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](O[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000036152079	563122828	/nfs/dbraw/zinc/12/28/28/563122828.db2.gz	BKEQVUDVEUEISE-ATRFCDNQSA-N	-4	0	493.155	0.112	1	10		JCCFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](c2ccc(O)c(O)c2)C[C@@H]1O	ZINC000040510617	563145019	/nfs/dbraw/zinc/14/50/19/563145019.db2.gz	DOLYIXVOGYKSHD-AXFHLTTASA-N	-4	0	466.165	0.632	1	10		JCCFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@@H](c2ccc(O)c(O)c2)C[C@H]1O	ZINC000040510618	563144991	/nfs/dbraw/zinc/14/49/91/563144991.db2.gz	DOLYIXVOGYKSHD-MXWKQRLJSA-N	-4	0	466.165	0.632	1	10		JCCFRL
O=P([O-])([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](c2ccc(O)c(O)c2)C[C@H]1O	ZINC000040510619	563145027	/nfs/dbraw/zinc/14/50/27/563145027.db2.gz	DOLYIXVOGYKSHD-GMTAPVOTSA-N	-4	0	466.165	0.632	1	10		JCCFRL
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])CCC[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000040685181	563147370	/nfs/dbraw/zinc/14/73/70/563147370.db2.gz	DPYCUHBHVJJTTE-DCAQKATOSA-N	-2	0	453.285	0.581	1	10		JCCFRL
COc1cc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)c(O)c2)C(=O)[O-])cc(OC)c1O	ZINC000049070706	563201256	/nfs/dbraw/zinc/20/12/56/563201256.db2.gz	OGOVVRHSMHRFIK-MYEWIJLCSA-N	-2	0	478.406	0.889	1	10		JCCFRL