smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccn([C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000003869816	181050972	/nfs/dbraw/zinc/05/09/72/181050972.db2.gz	NCMVOABPESMRCP-HAFWLYHUSA-N	-2	0	307.199	-1.417	50	0		DAAARL
O=C([O-])CN(CC(=O)[O-])CC(O)C[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000003861209	304066038	/nfs/dbraw/zinc/06/60/38/304066038.db2.gz	WYMDDFRYORANCC-UHFFFAOYSA-N	-3	0	322.270	-2.710	50	0	world	DAAARL
O=c1ccn([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000006524723	181349211	/nfs/dbraw/zinc/34/92/11/181349211.db2.gz	JSRLJPSBLDHEIO-BBVRLYRLSA-N	-2	0	308.183	-1.706	50	0		DAAARL
Nc1ccn([C@@H]2C[C@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)n1	ZINC000004543584	372766079	/nfs/dbraw/zinc/76/60/79/372766079.db2.gz	FVSAHFFHPOLBLL-HAFWLYHUSA-N	-2	0	307.199	-1.417	50	0		DAAARL
O=S(=O)([O-])N1[C@H](O)[C@@H](O)N(S(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000013739511	372778414	/nfs/dbraw/zinc/77/84/14/372778414.db2.gz	SUBPOEJBPVLBPM-AJSXGEPRSA-N	-2	0	310.262	-4.517	50	0		DAAARL
CN1C(=O)[N-]C(=O)[C@@](O)([C@]2(O)C(=O)[N-]C(=O)N(C)C2=O)C1=O	ZINC000140021320	372779716	/nfs/dbraw/zinc/77/97/16/372779716.db2.gz	WIMQEQRWPNJYRH-UWVGGRQHSA-N	-2	0	314.210	-4.135	50	0		DAAARL
CN1C(=O)[N-]C(=O)[C@](O)([C@]2(O)C(=O)[N-]C(=O)N(C)C2=O)C1=O	ZINC000140021500	372866204	/nfs/dbraw/zinc/86/62/04/372866204.db2.gz	WIMQEQRWPNJYRH-AOOOYVTPSA-N	-2	0	314.210	-4.135	50	0		DAAARL
Nc1cc([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)[nH]c(=O)n1	ZINC000016382964	182042772	/nfs/dbraw/zinc/04/27/72/182042772.db2.gz	PIAJBVKAWNZXAA-YDKYIBAVSA-N	-2	0	323.198	-2.377	50	0		DAAARL
O=[P@@]1([O-])N=P([O-])([O-])N=P([O-])([O-])NP([O-])([O-])=[NH+]1	ZINC000263621383	373158419	/nfs/dbraw/zinc/15/84/19/373158419.db2.gz	PTDSNNVMKZYOAN-UHFFFAOYSA-N	-4	0	315.980	-1.240	50	0		DAAARL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000013512000	373272046	/nfs/dbraw/zinc/27/20/46/373272046.db2.gz	DJJCXFVJDGTHFX-PXBUCIJWSA-N	-2	0	324.182	-2.735	50	0	in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1	ZINC000008613159	373269506	/nfs/dbraw/zinc/26/95/06/373269506.db2.gz	IERHLVCPSMICTF-PXBUCIJWSA-N	-2	0	323.198	-2.446	50	0	biogenic,in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1	ZINC000009007749	373724866	/nfs/dbraw/zinc/72/48/66/373724866.db2.gz	IERHLVCPSMICTF-ZAKLUEHWSA-N	-2	0	323.198	-2.446	50	0	in-vivo	DAAARL
CC(=O)N[C@@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000030725207	278151625	/nfs/dbraw/zinc/15/16/25/278151625.db2.gz	BRGMHAYQAZFZDJ-OZRXBMAMSA-N	-2	0	301.188	-2.961	50	0	in-vitro	DAAARL
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000001532628	302320886	/nfs/dbraw/zinc/32/08/86/302320886.db2.gz	GYOZYWVXFNDGLU-CSMHCCOUSA-N	-2	0	322.210	-1.397	50	0	in-vitro	DAAARL
O=C([O-])CN(CCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000001769289	304066349	/nfs/dbraw/zinc/06/63/49/304066349.db2.gz	DMQQXDPCRUGSQB-UHFFFAOYSA-N	-3	0	306.271	-1.681	50	0		DAAARL
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)c(=O)[nH]1	ZINC000004095646	372766497	/nfs/dbraw/zinc/76/64/97/372766497.db2.gz	FOGRQMPFHUHIGU-XVFCMESISA-N	-2	0	324.182	-2.735	50	0	in-man,metabolite	DAAARL
Nc1ccn([C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)n1	ZINC000014960489	372778829	/nfs/dbraw/zinc/77/88/29/372778829.db2.gz	FVSAHFFHPOLBLL-JKMUOGBPSA-N	-2	0	307.199	-1.417	50	0		DAAARL
Nc1ccn([C@@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)n1	ZINC000014960497	372779695	/nfs/dbraw/zinc/77/96/95/372779695.db2.gz	FVSAHFFHPOLBLL-BBVRLYRLSA-N	-2	0	307.199	-1.417	50	0		DAAARL
O=c1ccn([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000013514392	372780032	/nfs/dbraw/zinc/78/00/32/372780032.db2.gz	JSRLJPSBLDHEIO-JKMUOGBPSA-N	-2	0	308.183	-1.706	50	0		DAAARL
O=P([O-])([O-])c1cc(P(=O)([O-])[O-])cc(P(=O)([O-])[O-])c1	ZINC000096395016	373668407	/nfs/dbraw/zinc/66/84/07/373668407.db2.gz	OARRIBWWCWLELO-UHFFFAOYSA-N	-6	0	318.051	-1.904	50	0		DAAARL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001532510	278135491	/nfs/dbraw/zinc/13/54/91/278135491.db2.gz	OPVPGKGADVGKTG-BQBZGAKWSA-N	-3	0	304.255	-1.600	50	0	endogenous,world	DAAARL
CC(=O)N[C@@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000245204467	278151546	/nfs/dbraw/zinc/15/15/46/278151546.db2.gz	BRGMHAYQAZFZDJ-IMFYSGRJSA-N	-2	0	301.188	-2.961	50	0		DAAARL
CC(=O)N[C@@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000100350901	278151439	/nfs/dbraw/zinc/15/14/39/278151439.db2.gz	BRGMHAYQAZFZDJ-DWOUCZDBSA-N	-2	0	301.188	-2.961	50	0		DAAARL
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001532513	278173192	/nfs/dbraw/zinc/17/31/92/278173192.db2.gz	OPVPGKGADVGKTG-RNFRBKRXSA-N	-3	0	304.255	-1.600	50	0	endogenous,in-man	DAAARL
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])[O-]	ZINC000100351887	278182531	/nfs/dbraw/zinc/18/25/31/278182531.db2.gz	FZLJPEPAYPUMMR-LQOSVEJXSA-N	-2	0	301.188	-2.961	50	0	in-vitro	DAAARL
O=S(=O)([O-])N1[C@H](O)[C@H](O)N(S(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000013739512	304768242	/nfs/dbraw/zinc/76/82/42/304768242.db2.gz	SUBPOEJBPVLBPM-GNSDDBTRSA-N	-2	0	310.262	-4.517	50	0		DAAARL
Nc1ccn([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000003645374	181043380	/nfs/dbraw/zinc/04/33/80/181043380.db2.gz	NCMVOABPESMRCP-BBVRLYRLSA-N	-2	0	307.199	-1.417	50	0		DAAARL
CC(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000004534089	181121052	/nfs/dbraw/zinc/12/10/52/181121052.db2.gz	GUCKKCMJTSNWCU-NKWVEPMBSA-N	-3	0	304.255	-1.600	50	0		DAAARL
Nc1ccn([C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)n1	ZINC000002522525	372763910	/nfs/dbraw/zinc/76/39/10/372763910.db2.gz	FVSAHFFHPOLBLL-CHKWXVPMSA-N	-2	0	307.199	-1.417	50	0		DAAARL
Nc1ccn([C@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000012503924	372776277	/nfs/dbraw/zinc/77/62/77/372776277.db2.gz	NCMVOABPESMRCP-ATRFCDNQSA-N	-2	0	307.199	-1.417	50	0	in-vitro	DAAARL
Cn1c(=O)c(C2(O)C(=O)[N-]C(=O)NC2=O)c([O-])c2ccccc21	ZINC000100199195	372850429	/nfs/dbraw/zinc/85/04/29/372850429.db2.gz	YNJZYOVKBMVPJB-UHFFFAOYSA-N	-2	0	317.257	-1.202	50	0		DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@H](OP(=O)([O-])[O-])[C@@H]2O)c(=O)n1	ZINC000078106263	373649495	/nfs/dbraw/zinc/64/94/95/373649495.db2.gz	UOOOPKANIPLQPU-YDKYIBAVSA-N	-2	0	323.198	-2.446	50	0	biogenic,in-vitro	DAAARL
CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000002504638	278134086	/nfs/dbraw/zinc/13/40/86/278134086.db2.gz	GUCKKCMJTSNWCU-BQBZGAKWSA-N	-3	0	304.255	-1.600	50	0	world	DAAARL
Cc1cn([C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000006521315	302321537	/nfs/dbraw/zinc/32/15/37/302321537.db2.gz	XXYIANZGUOSQHY-XLPZGREQSA-N	-2	0	322.210	-1.397	50	0	in-vitro	DAAARL
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000003861759	574412031	/nfs/dbraw/zinc/41/20/31/574412031.db2.gz	NCMVOABPESMRCP-SHYZEUOFSA-N	-2	0	307.199	-1.417	50	0	endogenous,in-man	DAAARL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003861744	181050099	/nfs/dbraw/zinc/05/00/99/181050099.db2.gz	IERHLVCPSMICTF-XVFCMESISA-N	-2	0	323.198	-2.446	50	0	endogenous,in-man	DAAARL
O=c1ccn([C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003869888	181050561	/nfs/dbraw/zinc/05/05/61/181050561.db2.gz	JSRLJPSBLDHEIO-HAFWLYHUSA-N	-2	0	308.183	-1.706	50	0		DAAARL
Nc1ccn([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000012503923	372777589	/nfs/dbraw/zinc/77/75/89/372777589.db2.gz	NCMVOABPESMRCP-JKMUOGBPSA-N	-2	0	307.199	-1.417	50	0		DAAARL
C[C@@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000019367477	372781402	/nfs/dbraw/zinc/78/14/02/372781402.db2.gz	XNCSCQSQSGDGES-ZETCQYMHSA-N	-3	0	306.271	-1.683	50	0		DAAARL
O=P([O-])([O-])OC[C@H]1O[C@]2(CO[P@@](=O)([O-])O2)[C@H](O)[C@@H]1O	ZINC000215856195	373066602	/nfs/dbraw/zinc/06/66/02/373066602.db2.gz	OYLOOUQOYVXAHA-KAZBKCHUSA-N	-3	0	322.099	-1.940	50	0		DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]2O)c(=O)n1	ZINC000016928638	182065219	/nfs/dbraw/zinc/06/52/19/182065219.db2.gz	UOOOPKANIPLQPU-PXBUCIJWSA-N	-2	0	323.198	-2.446	50	0		DAAARL
O=C([O-])CNC(=O)NC(=O)c1cn(CC(=O)[O-])c(=O)[nH]c1=O	ZINC000075283719	373291293	/nfs/dbraw/zinc/29/12/93/373291293.db2.gz	OHYGNCBEMDEKGR-UHFFFAOYSA-N	-2	0	314.210	-2.855	50	0		DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)c(=O)n1	ZINC000004096919	373315457	/nfs/dbraw/zinc/31/54/57/373315457.db2.gz	UOOOPKANIPLQPU-XVFCMESISA-N	-2	0	323.198	-2.446	50	0	in-vivo	DAAARL
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001532511	278173248	/nfs/dbraw/zinc/17/32/48/278173248.db2.gz	OPVPGKGADVGKTG-NKWVEPMBSA-N	-3	0	304.255	-1.600	50	0	endogenous,in-man	DAAARL
O=S(=O)([O-])CCN1CCN(CCS(=O)(=O)[O-])CC1	ZINC000019364835	304768015	/nfs/dbraw/zinc/76/80/15/304768015.db2.gz	IHPYMWDTONKSCO-UHFFFAOYSA-N	-2	0	302.374	-1.620	50	0	in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)([O-])[O-])c(=O)n1	ZINC000004096023	574412176	/nfs/dbraw/zinc/41/21/76/574412176.db2.gz	YQUAKORMLHPSLZ-XVFCMESISA-N	-2	0	323.198	-2.446	50	0	endogenous,in-man	DAAARL
CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000004534090	181120873	/nfs/dbraw/zinc/12/08/73/181120873.db2.gz	GUCKKCMJTSNWCU-RQJHMYQMSA-N	-3	0	304.255	-1.600	50	0	world	DAAARL
O=C([O-])CCN(CC[N@H+](CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022576460	304051984	/nfs/dbraw/zinc/05/19/84/304051984.db2.gz	IZQWNOQOAFSHOK-UHFFFAOYSA-N	-3	0	320.298	-1.291	50	0	in-vitro	DAAARL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000002123545	372761416	/nfs/dbraw/zinc/76/14/16/372761416.db2.gz	DJJCXFVJDGTHFX-XVFCMESISA-N	-2	0	324.182	-2.735	50	0	endogenous,in-man	DAAARL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000001785780	372762293	/nfs/dbraw/zinc/76/22/93/372762293.db2.gz	IERHLVCPSMICTF-CCXZUQQUSA-N	-2	0	323.198	-2.446	50	0	biogenic,in-vivo	DAAARL
C[C@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000019366539	372781956	/nfs/dbraw/zinc/78/19/56/372781956.db2.gz	XNCSCQSQSGDGES-SSDOTTSWSA-N	-3	0	306.271	-1.683	50	0		DAAARL
O=P([O-])([O-])OC[C@H]1O[C@]2(CO[P@@](=O)([O-])O2)[C@H](O)[C@H]1O	ZINC000215856243	373066207	/nfs/dbraw/zinc/06/62/07/373066207.db2.gz	OYLOOUQOYVXAHA-MOJAZDJTSA-N	-3	0	322.099	-1.940	50	0		DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OP(=O)([O-])[O-])c(=O)n1	ZINC000077286330	373648837	/nfs/dbraw/zinc/64/88/37/373648837.db2.gz	YQUAKORMLHPSLZ-PXBUCIJWSA-N	-2	0	323.198	-2.446	50	0	in-vitro	DAAARL
CC(=O)N[C@H](CC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000004534091	278172747	/nfs/dbraw/zinc/17/27/47/278172747.db2.gz	GUCKKCMJTSNWCU-RNFRBKRXSA-N	-3	0	304.255	-1.600	50	0		DAAARL
CN1C(=O)[N-]C(=O)[C@](O)([C@@]2(O)C(=O)[N-]C(=O)N(C)C2=O)C1=O	ZINC000140021647	289850393	/nfs/dbraw/zinc/85/03/93/289850393.db2.gz	WIMQEQRWPNJYRH-NXEZZACHSA-N	-2	0	314.210	-4.135	50	0		DAAARL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000036377965	372792627	/nfs/dbraw/zinc/79/26/27/372792627.db2.gz	DJJCXFVJDGTHFX-YDKYIBAVSA-N	-2	0	324.182	-2.735	50	0		DAAARL
O=c1ccn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000002026984	373198263	/nfs/dbraw/zinc/19/82/63/373198263.db2.gz	DJJCXFVJDGTHFX-JPCMASIJSA-N	-2	0	324.182	-2.735	50	0		DAAARL
O=c1ccn([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000001532629	373274940	/nfs/dbraw/zinc/27/49/40/373274940.db2.gz	JSRLJPSBLDHEIO-CHKWXVPMSA-N	-2	0	308.183	-1.706	50	0	in-vitro	DAAARL
O=c1ccn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001532538	373624179	/nfs/dbraw/zinc/62/41/79/373624179.db2.gz	DJJCXFVJDGTHFX-PSQAKQOGSA-N	-2	0	324.182	-2.735	50	0	in-vitro	DAAARL
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])[O-]	ZINC000035823733	373616330	/nfs/dbraw/zinc/61/63/30/373616330.db2.gz	FZLJPEPAYPUMMR-UOLFYFMNSA-N	-2	0	301.188	-2.961	50	0	in-vitro	DAAARL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001532512	278135488	/nfs/dbraw/zinc/13/54/88/278135488.db2.gz	OPVPGKGADVGKTG-RQJHMYQMSA-N	-3	0	304.255	-1.600	50	0	endogenous,in-man	DAAARL
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])[O-]	ZINC000255973203	278182538	/nfs/dbraw/zinc/18/25/38/278182538.db2.gz	FZLJPEPAYPUMMR-OMKQZNDVSA-N	-2	0	301.188	-2.961	50	0	in-vitro	DAAARL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000002606131	372763868	/nfs/dbraw/zinc/76/38/68/372763868.db2.gz	DJJCXFVJDGTHFX-CCXZUQQUSA-N	-2	0	324.182	-2.735	50	0	in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)n1	ZINC000016546001	182049343	/nfs/dbraw/zinc/04/93/43/182049343.db2.gz	IERHLVCPSMICTF-YDKYIBAVSA-N	-2	0	323.198	-2.446	50	0	biogenic	DAAARL
Nc1ccn([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000001532581	373273696	/nfs/dbraw/zinc/27/36/96/373273696.db2.gz	NCMVOABPESMRCP-CHKWXVPMSA-N	-2	0	307.199	-1.417	50	0	in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@H](OP(=O)([O-])[O-])[C@H]2O)c(=O)n1	ZINC000078106261	373648649	/nfs/dbraw/zinc/64/86/49/373648649.db2.gz	UOOOPKANIPLQPU-CCXZUQQUSA-N	-2	0	323.198	-2.446	50	0		DAAARL
COC(=O)CN(CCN(CC(=O)[O-])CC(=O)OC)CC(=O)[O-]	ZINC000022577096	373670137	/nfs/dbraw/zinc/67/01/37/373670137.db2.gz	ABHLVHFTQWZGRH-UHFFFAOYSA-N	-2	0	320.298	-1.894	50	0		DAAARL
Cc1n[n-]c(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)nc1=O	ZINC000008914320	373723964	/nfs/dbraw/zinc/72/39/64/373723964.db2.gz	CVXBIEUCUHIOSE-UHFFFAOYSA-N	-2	0	304.314	-1.413	50	0		DAAARL
O=c1ccn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000009235501	373733020	/nfs/dbraw/zinc/73/30/20/373733020.db2.gz	DJJCXFVJDGTHFX-ZAKLUEHWSA-N	-2	0	324.182	-2.735	50	0	in-vivo	DAAARL
O=C([O-])c1ccccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000013829478	304271562	/nfs/dbraw/zinc/27/15/62/304271562.db2.gz	JSCWDKKMLIQCMR-CDHFTJPESA-N	-2	0	314.246	-1.344	50	0	endogenous,world	DAAARL
Nc1ccn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1	ZINC000003954230	409809248	/nfs/dbraw/zinc/80/92/48/409809248.db2.gz	IERHLVCPSMICTF-JPCMASIJSA-N	-2	0	323.198	-2.446	50	0		DAAARL
CC(=O)N[C@@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000245204468	278151636	/nfs/dbraw/zinc/15/16/36/278151636.db2.gz	BRGMHAYQAZFZDJ-RZUNNTJFSA-N	-2	0	301.188	-2.961	50	0		DAAARL
O=S(=O)([O-])N1[C@H](O)[C@H](O)N(S(=O)(=O)[O-])[C@H](O)[C@@H]1O	ZINC000008965126	304768238	/nfs/dbraw/zinc/76/82/38/304768238.db2.gz	SUBPOEJBPVLBPM-DUHBMQHGSA-N	-2	0	310.262	-4.517	50	0		DAAARL
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000001678872	372762653	/nfs/dbraw/zinc/76/26/53/372762653.db2.gz	GYOZYWVXFNDGLU-XLPZGREQSA-N	-2	0	322.210	-1.397	50	0	endogenous,in-man	DAAARL
O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000004228260	372766624	/nfs/dbraw/zinc/76/66/24/372766624.db2.gz	JSRLJPSBLDHEIO-SHYZEUOFSA-N	-2	0	308.183	-1.706	50	0	endogenous,in-man	DAAARL
O=S(=O)([O-])N1[C@H](O)[C@H](O)N(S(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000013739513	372778555	/nfs/dbraw/zinc/77/85/55/372778555.db2.gz	SUBPOEJBPVLBPM-LLEIAEIESA-N	-2	0	310.262	-4.517	50	0		DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2OP(=O)([O-])[O-])c(=O)n1	ZINC000077286333	373649210	/nfs/dbraw/zinc/64/92/10/373649210.db2.gz	YQUAKORMLHPSLZ-YDKYIBAVSA-N	-2	0	323.198	-2.446	50	0	biogenic,in-vitro	DAAARL
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OP(=O)([O-])[O-])c(=O)n1	ZINC000012503907	373658982	/nfs/dbraw/zinc/65/89/82/373658982.db2.gz	YQUAKORMLHPSLZ-CCXZUQQUSA-N	-2	0	323.198	-2.446	50	0		DAAARL
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OP(=O)([O-])[O-]	ZINC000100351881	278182169	/nfs/dbraw/zinc/18/21/69/278182169.db2.gz	FZLJPEPAYPUMMR-HNEXDWKRSA-N	-2	0	301.188	-2.961	50	0	in-vitro	DAAARL