smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(CO[P@@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)[O-]	ZINC000001529671	351303565	/nfs/dbraw/zinc/30/35/65/351303565.db2.gz	XHFVGHPGDLDEQO-ZETCQYMHSA-N	-2	2	299.216	-0.926	10	0	endogenous,in-man	CBAELL
CC(C)(CO[P@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)[O-]	ZINC000001529671	351303567	/nfs/dbraw/zinc/30/35/67/351303567.db2.gz	XHFVGHPGDLDEQO-ZETCQYMHSA-N	-2	2	299.216	-0.926	10	0	endogenous,in-man	CBAELL
O=C([O-])CCC[C@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000090694595	180026234	/nfs/dbraw/zinc/02/62/34/180026234.db2.gz	XLRGGRABKWHWFY-ZCFIWIBFSA-N	-3	2	277.229	-0.834	10	0		CBAELL
O=C([O-])CC[C@]1(C(=O)[O-])[NH2+][C@@H](C(=O)[O-])Cc2nc[nH]c21	ZINC000003589428	304063629	/nfs/dbraw/zinc/06/36/29/304063629.db2.gz	XGCZNSAJOHDWQS-KBUNVGBDSA-N	-2	2	283.240	-0.847	10	0		CBAELL
CC(C)(CO[P@@](=O)([O-])O)[C@H](O)C(=O)NCCC(=O)[O-]	ZINC000002002607	351306678	/nfs/dbraw/zinc/30/66/78/351306678.db2.gz	XHFVGHPGDLDEQO-SSDOTTSWSA-N	-2	2	299.216	-0.926	10	0	endogenous,in-man	CBAELL
CC(C)(CO[P@](=O)([O-])O)[C@H](O)C(=O)NCCC(=O)[O-]	ZINC000002002607	351306682	/nfs/dbraw/zinc/30/66/82/351306682.db2.gz	XHFVGHPGDLDEQO-SSDOTTSWSA-N	-2	2	299.216	-0.926	10	0	endogenous,in-man	CBAELL
O=C([O-])CC[C@]1(C(=O)[O-])[NH2+][C@H](C(=O)[O-])Cc2nc[nH]c21	ZINC000001631504	304063657	/nfs/dbraw/zinc/06/36/57/304063657.db2.gz	XGCZNSAJOHDWQS-KGFZYKRKSA-N	-2	2	283.240	-0.847	10	0	in-vitro	CBAELL
O=P([O-])(O)C(O)(Cc1ccncc1)[P@@](=O)([O-])O	ZINC000005940922	170158964	/nfs/dbraw/zinc/15/89/64/170158964.db2.gz	ZWHKKFUMEGWCKH-UHFFFAOYSA-N	-2	2	283.113	-0.374	10	0		CBAELL
O=P([O-])(O)C(O)(Cc1ccncc1)[P@](=O)([O-])O	ZINC000005940922	170158966	/nfs/dbraw/zinc/15/89/66/170158966.db2.gz	ZWHKKFUMEGWCKH-UHFFFAOYSA-N	-2	2	283.113	-0.374	10	0		CBAELL
CC(=O)N[C@@H](CCCC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000004654833	560199292	/nfs/dbraw/zinc/19/92/92/560199292.db2.gz	ZSQUJRWIOUMROC-LURJTMIESA-N	-2	2	283.173	-0.618	10	0	in-vitro	CBAELL
CC(=O)N[C@@H](CCCC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000004654833	560199294	/nfs/dbraw/zinc/19/92/94/560199294.db2.gz	ZSQUJRWIOUMROC-LURJTMIESA-N	-2	2	283.173	-0.618	10	0	in-vitro	CBAELL
O=C([O-])CC[C@@]1(C(=O)[O-])[NH2+][C@H](C(=O)[O-])Cc2nc[nH]c21	ZINC000001631503	304060682	/nfs/dbraw/zinc/06/06/82/304060682.db2.gz	XGCZNSAJOHDWQS-UPONEAKYSA-N	-2	2	283.240	-0.847	10	0		CBAELL
O=P([O-])(O)C(N1CCC(O)CC1)[P@@](=O)([O-])O	ZINC000005847403	170146635	/nfs/dbraw/zinc/14/66/35/170146635.db2.gz	MDCNNIRRNBNADF-UHFFFAOYSA-N	-2	2	275.134	-0.918	10	0		CBAELL
O=P([O-])(O)C(N1CCC(O)CC1)[P@](=O)([O-])O	ZINC000005847403	170146637	/nfs/dbraw/zinc/14/66/37/170146637.db2.gz	MDCNNIRRNBNADF-UHFFFAOYSA-N	-2	2	275.134	-0.918	10	0		CBAELL
C[C@H](N[P@@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000021288894	171300649	/nfs/dbraw/zinc/30/06/49/171300649.db2.gz	UGGHNDGDVCUWQX-WDSKDSINSA-N	-2	2	266.190	-0.867	10	0		CBAELL
C[C@H](N[P@](=O)([O-])O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000021288894	171300650	/nfs/dbraw/zinc/30/06/50/171300650.db2.gz	UGGHNDGDVCUWQX-WDSKDSINSA-N	-2	2	266.190	-0.867	10	0		CBAELL
O=C([O-])CCC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000090694593	180026299	/nfs/dbraw/zinc/02/62/99/180026299.db2.gz	XLRGGRABKWHWFY-LURJTMIESA-N	-3	2	277.229	-0.834	10	0		CBAELL
CCC(NC(C)=O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000059914439	351563908	/nfs/dbraw/zinc/56/39/08/351563908.db2.gz	MFORMDAHVCCVEO-UHFFFAOYSA-N	-2	2	261.107	-0.458	10	0		CBAELL
CCC(NC(C)=O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000059914439	351563917	/nfs/dbraw/zinc/56/39/17/351563917.db2.gz	MFORMDAHVCCVEO-UHFFFAOYSA-N	-2	2	261.107	-0.458	10	0		CBAELL
O=C([O-])CC[C@@]1(C(=O)[O-])[NH2+][C@@H](C(=O)[O-])Cc2nc[nH]c21	ZINC000001531128	304060662	/nfs/dbraw/zinc/06/06/62/304060662.db2.gz	XGCZNSAJOHDWQS-KSBSHMNSSA-N	-2	2	283.240	-0.847	10	0		CBAELL