smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2ccoc2c(NS(=O)(=O)c2ccccc2)c(O)c1C(=O)[O-]	ZINC000064516734	205298468	/nfs/dbraw/zinc/29/84/68/205298468.db2.gz	RTRHAGMPHPEYJN-UHFFFAOYSA-N	-1	2	363.347	2.646	1	0		FFAFLM
CCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])O)OC(=O)CCCCC	ZINC000005820131	204226394	/nfs/dbraw/zinc/22/63/94/204226394.db2.gz	SFZZRGHNPILUOD-ZDUSSCGKSA-N	-1	2	368.363	2.711	1	0		FFAFLM
CCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])O)OC(=O)CCCCC	ZINC000005820131	204226397	/nfs/dbraw/zinc/22/63/97/204226397.db2.gz	SFZZRGHNPILUOD-ZDUSSCGKSA-N	-1	2	368.363	2.711	1	0		FFAFLM
COc1ccc(-n2c(=O)[nH]c([O-])c(C(=O)c3ccc(Cl)cc3)c2=O)cc1	ZINC000100404936	132232751	/nfs/dbraw/zinc/23/27/51/132232751.db2.gz	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	2	372.764	2.901	2	0		FFAFLM
COc1ccc(N2C(=O)NC(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404936	132232752	/nfs/dbraw/zinc/23/27/52/132232752.db2.gz	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	2	372.764	2.901	2	0		FFAFLM
COc1ccc(-n2c([O-])c(C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1	ZINC000100404936	132232753	/nfs/dbraw/zinc/23/27/53/132232753.db2.gz	WVZMFFXUMIBHMK-PFONDFGASA-N	-1	2	372.764	2.901	2	0		FFAFLM
Nc1cccc2c1nc(-c1ccc([P@@](=O)([O-])O)o1)n2CC1CCCC1	ZINC000045284269	205118779	/nfs/dbraw/zinc/11/87/79/205118779.db2.gz	OPEAKWUBZWEFEN-UHFFFAOYSA-N	-1	2	361.338	2.872	1	0		FFAFLM
Nc1cccc2c1nc(-c1ccc([P@](=O)([O-])O)o1)n2CC1CCCC1	ZINC000045284269	205118784	/nfs/dbraw/zinc/11/87/84/205118784.db2.gz	OPEAKWUBZWEFEN-UHFFFAOYSA-N	-1	2	361.338	2.872	1	0		FFAFLM
O=C(NCCc1ccccc1)c1ccc(C(F)(F)[P@](=O)([O-])O)cc1	ZINC000049047682	205169039	/nfs/dbraw/zinc/16/90/39/205169039.db2.gz	PLSMNDIPRTXABY-UHFFFAOYSA-N	-1	2	355.277	2.886	1	0		FFAFLM
O=C(NCCc1ccccc1)c1ccc(C(F)(F)[P@@](=O)([O-])O)cc1	ZINC000049047682	205169042	/nfs/dbraw/zinc/16/90/42/205169042.db2.gz	PLSMNDIPRTXABY-UHFFFAOYSA-N	-1	2	355.277	2.886	1	0		FFAFLM
Cc1cc(S(=O)(=O)Nc2nnc3ccccn32)c([S-])cc1Cl	ZINC000001642340	210363929	/nfs/dbraw/zinc/36/39/29/210363929.db2.gz	SGQVCISIURHRNX-UHFFFAOYSA-N	-1	2	354.844	2.781	1	0		FFAFLM
Cc1cc2c(s1)S(=O)(=O)NC([O-])=C2C(=O)Nc1ccc(Cl)cc1	ZINC000100999734	222259848	/nfs/dbraw/zinc/25/98/48/222259848.db2.gz	PQAWQRBUPJZTAX-UHFFFAOYSA-N	-1	2	370.839	2.867	1	0		FFAFLM
CCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)[O-])c2)c1=O	ZINC000100818273	222254254	/nfs/dbraw/zinc/25/42/54/222254254.db2.gz	TXUMUPMKPGNGBR-UHFFFAOYSA-N	-1	2	354.362	2.838	1	0		FFAFLM
O=[P@@]([O-])(O)C(F)(F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000049035437	221018024	/nfs/dbraw/zinc/01/80/24/221018024.db2.gz	WVGSDCFPLKZTPT-UHFFFAOYSA-N	-1	2	363.278	2.714	1	0		FFAFLM
O=[P@]([O-])(O)C(F)(F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000049035437	221018026	/nfs/dbraw/zinc/01/80/26/221018026.db2.gz	WVGSDCFPLKZTPT-UHFFFAOYSA-N	-1	2	363.278	2.714	1	0		FFAFLM
COc1ccc(-n2c(=O)[nH]c([O-])c(C(=O)c3ccc(Cl)cc3)c2=O)cc1	ZINC000100404934	132232772	/nfs/dbraw/zinc/23/27/72/132232772.db2.gz	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	2	372.764	2.901	2	0		FFAFLM
COc1ccc(N2C(=O)NC(=O)C(=C([O-])c3ccc(Cl)cc3)C2=O)cc1	ZINC000100404934	132232774	/nfs/dbraw/zinc/23/27/74/132232774.db2.gz	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	2	372.764	2.901	2	0		FFAFLM
COc1ccc(-n2c([O-])c(C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2=O)cc1	ZINC000100404934	132232775	/nfs/dbraw/zinc/23/27/75/132232775.db2.gz	WVZMFFXUMIBHMK-CCEZHUSRSA-N	-1	2	372.764	2.901	2	0		FFAFLM
CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C(C(=O)O)=C1C(=O)[O-]	ZINC000013553477	581098242	/nfs/dbraw/zinc/09/82/42/581098242.db2.gz	OKZJXWRODZEZBB-OAHLLOKOSA-N	-1	2	373.405	2.755	1	0		FFAFLM
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(Sc2ccccc2)s1	ZINC000066103546	205363545	/nfs/dbraw/zinc/36/35/45/205363545.db2.gz	QBSAAIPRTVAUJX-UHFFFAOYSA-N	-1	2	354.349	2.940	1	0		FFAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(Sc2ccccc2)s1	ZINC000066103546	205363549	/nfs/dbraw/zinc/36/35/49/205363549.db2.gz	QBSAAIPRTVAUJX-UHFFFAOYSA-N	-1	2	354.349	2.940	1	0		FFAFLM
CC(C)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1c(Cl)ccc2N	ZINC000045285428	205119197	/nfs/dbraw/zinc/11/91/97/205119197.db2.gz	KHRFOVWWZXOPTG-UHFFFAOYSA-N	-1	2	369.745	2.991	1	0		FFAFLM
CC(C)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1c(Cl)ccc2N	ZINC000045285428	205119201	/nfs/dbraw/zinc/11/92/01/205119201.db2.gz	KHRFOVWWZXOPTG-UHFFFAOYSA-N	-1	2	369.745	2.991	1	0		FFAFLM
CC(C)Cn1c2ccc(Cl)c(N)c2nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000045315182	208328833	/nfs/dbraw/zinc/32/88/33/208328833.db2.gz	NLMLWNQVPDVGOC-UHFFFAOYSA-N	-1	2	369.745	2.991	1	0		FFAFLM
CC(C)Cn1c2ccc(Cl)c(N)c2nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000045315182	208328841	/nfs/dbraw/zinc/32/88/41/208328841.db2.gz	NLMLWNQVPDVGOC-UHFFFAOYSA-N	-1	2	369.745	2.991	1	0		FFAFLM
CC(=O)c1ccc(-c2sc(N)nc2-c2ccc([P@@](=O)([O-])O)o2)cc1	ZINC000066112057	221241276	/nfs/dbraw/zinc/24/12/76/221241276.db2.gz	KDKMSGVVVBTEHY-UHFFFAOYSA-N	-1	2	364.319	2.658	1	0		FFAFLM
CC(=O)c1ccc(-c2sc(N)nc2-c2ccc([P@](=O)([O-])O)o2)cc1	ZINC000066112057	221241278	/nfs/dbraw/zinc/24/12/78/221241278.db2.gz	KDKMSGVVVBTEHY-UHFFFAOYSA-N	-1	2	364.319	2.658	1	0		FFAFLM