smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1c(Cl)c(Cl)c(O)c2ncccc21	ZINC000005933609	170157734	/nfs/dbraw/zinc/15/77/34/170157734.db2.gz	WVHUFCQKUTVQNX-UHFFFAOYSA-N	-1	2	294.115	2.494	1	0		CEAFLM
CC(C)NC(=O)c1ccc(C(F)(F)[P@@](=O)([O-])O)cc1	ZINC000049531019	519717036	/nfs/dbraw/zinc/71/70/36/519717036.db2.gz	QIZOZUOXLQEDKW-UHFFFAOYSA-N	-1	2	293.206	2.052	1	0		CEAFLM
CC(C)NC(=O)c1ccc(C(F)(F)[P@](=O)([O-])O)cc1	ZINC000049531019	519717039	/nfs/dbraw/zinc/71/70/39/519717039.db2.gz	QIZOZUOXLQEDKW-UHFFFAOYSA-N	-1	2	293.206	2.052	1	0		CEAFLM
O=C([O-])C(O)=CC(=O)C=C(O)c1cccc2ccccc21	ZINC000101046023	581102018	/nfs/dbraw/zinc/10/20/18/581102018.db2.gz	NEXQHAUMDHNKST-UHFFFAOYSA-N	-1	2	284.267	2.026	1	0		CEAFLM
O=C(Oc1cccc(O[P@](=O)([O-])O)c1)c1ccccc1	ZINC000096931996	185131945	/nfs/dbraw/zinc/13/19/45/185131945.db2.gz	OFWVYFAAUXIOFV-UHFFFAOYSA-N	-1	2	294.199	2.377	1	0		CEAFLM
O=C(Oc1cccc(O[P@@](=O)([O-])O)c1)c1ccccc1	ZINC000096931996	185131947	/nfs/dbraw/zinc/13/19/47/185131947.db2.gz	OFWVYFAAUXIOFV-UHFFFAOYSA-N	-1	2	294.199	2.377	1	0		CEAFLM
O=C1C=C([O-])C=C2OC(=O)C(c3ccc(O)cc3)C(O)=C12	ZINC000095099478	560062296	/nfs/dbraw/zinc/06/22/96/560062296.db2.gz	XWHJDPLZZUQKSB-UHFFFAOYSA-N	-1	2	286.239	2.282	1	0	biogenic,in-vitro	CEAFLM
O=C1C=C([O-])C2=C(O)C(c3ccc(O)cc3)C(=O)OC2=C1	ZINC000095099478	560062297	/nfs/dbraw/zinc/06/22/97/560062297.db2.gz	XWHJDPLZZUQKSB-UHFFFAOYSA-N	-1	2	286.239	2.282	1	0	biogenic,in-vitro	CEAFLM
Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)[O-])c1	ZINC000014814544	560226562	/nfs/dbraw/zinc/22/65/62/560226562.db2.gz	UMNWQJSVQOCNEM-UHFFFAOYSA-N	-1	2	288.255	2.041	1	0	in-vitro	CEAFLM