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-])C(Nc1cccnc1)P(=O)([O-])[O-]	ZINC000005933531	170157935	/nfs/dbraw/zinc/15/79/35/170157935.db2.gz	IFOAJHQSAXHBDS-UHFFFAOYSA-N	-4	3	268.102	0.133	1	0		CCAFHL
O=P([O-])([O-])C[C@H](c1ccccn1)P(=O)([O-])[O-]	ZINC000005940752	170159476	/nfs/dbraw/zinc/15/94/76/170159476.db2.gz	MOGYYGYIIWDQFH-SSDOTTSWSA-N	-4	3	267.114	0.478	1	0		CCAFHL
O=P([O-])([O-])C[C@@H](c1ccccn1)P(=O)([O-])[O-]	ZINC000005940805	170158805	/nfs/dbraw/zinc/15/88/05/170158805.db2.gz	MOGYYGYIIWDQFH-ZETCQYMHSA-N	-4	3	267.114	0.478	1	0		CCAFHL
O=c1oc2cccnc2n1CCCP(=O)([O-])[O-]	ZINC000072178443	176334580	/nfs/dbraw/zinc/33/45/80/176334580.db2.gz	UJMFMBAJNZEIEC-UHFFFAOYSA-N	-2	3	258.170	0.557	1	0		CCAFHL
CC[C@H](C)C(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486839	574415876	/nfs/dbraw/zinc/41/58/76/574415876.db2.gz	DXPFJFMFPOVWAS-NKWVEPMBSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
O=CN(O)CC[C@@H](c1ccncc1)P(=O)([O-])[O-]	ZINC000095584454	185012230	/nfs/dbraw/zinc/01/22/30/185012230.db2.gz	XOMNXQOJHOTAPH-VIFPVBQESA-N	-2	3	260.186	0.538	1	0		CCAFHL
CC[C@H](C)C(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486843	574415886	/nfs/dbraw/zinc/41/58/86/574415886.db2.gz	DXPFJFMFPOVWAS-BQBZGAKWSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
COc1c([O-])c(=O)oc2c(O)ccc(C(=O)[O-])c12	ZINC000014816119	560226509	/nfs/dbraw/zinc/22/65/09/560226509.db2.gz	ZWHGKGZEJKYFFJ-UHFFFAOYSA-N	-2	3	252.178	0.911	1	0	biogenic,in-vitro	CCAFHL
O=P([O-])([O-])C(O)(C1CCCCC1)P(=O)([O-])[O-]	ZINC000005840285	170145993	/nfs/dbraw/zinc/14/59/93/170145993.db2.gz	YMOJUZRGXNRXAD-UHFFFAOYSA-N	-4	3	274.146	0.568	1	0		CCAFHL
CCCC[S@@](=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095583583	185012663	/nfs/dbraw/zinc/01/26/63/185012663.db2.gz	LYAYZHXHERXZBO-INIZCTEOSA-N	-4	3	294.202	0.217	1	0		CCAFHL
Cc1cc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc[nH+]1	ZINC000040753717	174396497	/nfs/dbraw/zinc/39/64/97/174396497.db2.gz	KWHWIHWMWZQYFP-UHFFFAOYSA-N	-3	3	282.129	0.441	1	0		CCAFHL
N[C@H](Cc1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487648	574416166	/nfs/dbraw/zinc/41/61/66/574416166.db2.gz	SYDAAZGJLGWKHB-SNVBAGLBSA-N	-2	3	294.307	0.823	1	0	endogenous,in-vitro	CCAFHL
O=P([O-])([O-])C(C[C@H]1CCCC[NH2+]1)P(=O)([O-])[O-]	ZINC000003780933	581102165	/nfs/dbraw/zinc/10/21/65/581102165.db2.gz	TXRLEBBHLXZUOJ-ZCFIWIBFSA-N	-3	3	273.162	0.200	1	0		CCAFHL
N[C@@H](CCSCCCCC(=O)[O-])c1nn[n-]n1	ZINC000096928969	185131739	/nfs/dbraw/zinc/13/17/39/185131739.db2.gz	FHOHIVBQPWFIKT-ZETCQYMHSA-N	-2	3	259.335	0.578	1	0		CCAFHL
N[C@@H](CCSCCCCC(=O)[O-])c1nnn[n-]1	ZINC000096928969	185131741	/nfs/dbraw/zinc/13/17/41/185131741.db2.gz	FHOHIVBQPWFIKT-ZETCQYMHSA-N	-2	3	259.335	0.578	1	0		CCAFHL
O=C([O-])[C@H](Cc1cnc2ccccn12)P(=O)([O-])[O-]	ZINC000072142803	176324143	/nfs/dbraw/zinc/32/41/43/176324143.db2.gz	WEBOUWCAFRUISK-QMMMGPOBSA-N	-3	3	270.181	0.508	1	0		CCAFHL
N[C@@H](CC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000069486557	574415778	/nfs/dbraw/zinc/41/57/78/574415778.db2.gz	QRAIXMOWAGNJLI-VIFPVBQESA-N	-2	3	280.280	0.432	1	0	endogenous,in-vitro	CCAFHL
N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069488280	574416328	/nfs/dbraw/zinc/41/63/28/574416328.db2.gz	PQPZRHXABBLQHW-VIFPVBQESA-N	-2	3	296.279	0.138	1	0	endogenous,in-vitro	CCAFHL
CCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000013473667	581097874	/nfs/dbraw/zinc/09/78/74/581097874.db2.gz	LBPHBRVNBKGYTP-UHFFFAOYSA-N	-4	3	262.135	0.568	1	0		CCAFHL
O=CN(O)CC[C@H](c1cccnc1)P(=O)([O-])[O-]	ZINC000095585276	185012266	/nfs/dbraw/zinc/01/22/66/185012266.db2.gz	CVCNQONUMOHOGB-SECBINFHSA-N	-2	3	260.186	0.538	1	0		CCAFHL
N[C@@H](CC(=O)[O-])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069486580	574415810	/nfs/dbraw/zinc/41/58/10/574415810.db2.gz	ZDNSXTMLSSYRFO-VIFPVBQESA-N	-2	3	296.279	0.138	1	0	endogenous,in-vitro	CCAFHL
CC(C)(C)O[N-]C(=O)CC[C@@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000095594645	185014702	/nfs/dbraw/zinc/01/47/02/185014702.db2.gz	VCBCPDFVCKIJFQ-ZETCQYMHSA-N	-3	3	289.284	0.358	1	0		CCAFHL
CCOC(=O)CC(=O)Nc1cc(C(=O)[O-])ccc1[O-]	ZINC000072110817	176317888	/nfs/dbraw/zinc/31/78/88/176317888.db2.gz	IXJGKSSFCBBNFS-UHFFFAOYSA-N	-2	3	267.237	0.982	1	0		CCAFHL
COCc1c(COP(=O)([O-])[O-])cnc(C)c1[O-]	ZINC000049113213	522900314	/nfs/dbraw/zinc/90/03/14/522900314.db2.gz	RFYDYCIMPLKICN-UHFFFAOYSA-N	-3	3	263.186	0.851	1	0	in-vitro	CCAFHL
O=P([O-])([O-])C(c1ccc(O)cc1)P(=O)([O-])[O-]	ZINC000039241285	174166788	/nfs/dbraw/zinc/16/67/88/174166788.db2.gz	GYYATWLNBFUCJX-UHFFFAOYSA-N	-4	3	268.098	0.746	1	0		CCAFHL
N[C@H](CC(=O)[O-])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069486578	574415766	/nfs/dbraw/zinc/41/57/66/574415766.db2.gz	ZDNSXTMLSSYRFO-SECBINFHSA-N	-2	3	296.279	0.138	1	0	endogenous,in-vitro	CCAFHL
CSCC[C@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487539	574416102	/nfs/dbraw/zinc/41/61/02/574416102.db2.gz	VWBVWOQXKIKNBS-LURJTMIESA-N	-2	3	278.330	0.333	1	0	endogenous,in-vitro	CCAFHL
CS(=O)(=O)Oc1coc2cc([O-])cc([O-])c2c1=O	ZINC000049113821	525231315	/nfs/dbraw/zinc/23/13/15/525231315.db2.gz	XSRATBLHSNAGLF-UHFFFAOYSA-N	-2	3	272.234	0.543	1	0		CCAFHL
O=P([O-])([O-])C[C@H](c1cccnc1)P(=O)([O-])[O-]	ZINC000005933543	170157811	/nfs/dbraw/zinc/15/78/11/170157811.db2.gz	UMDOGFHRQCJNDJ-SSDOTTSWSA-N	-4	3	267.114	0.478	1	0		CCAFHL
O=P([O-])([O-])C[C@H](c1ccncc1)P(=O)([O-])[O-]	ZINC000005940959	170158791	/nfs/dbraw/zinc/15/87/91/170158791.db2.gz	LMEUGMVMKAWITH-SSDOTTSWSA-N	-4	3	267.114	0.478	1	0		CCAFHL
CC[C@H](C)[C@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487146	574416038	/nfs/dbraw/zinc/41/60/38/574416038.db2.gz	SEORUFKHRDTKBJ-RCOVLWMOSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
O=CN(O)CC[C@H](c1ccncc1)P(=O)([O-])[O-]	ZINC000095584453	185013171	/nfs/dbraw/zinc/01/31/71/185013171.db2.gz	XOMNXQOJHOTAPH-SECBINFHSA-N	-2	3	260.186	0.538	1	0		CCAFHL
O=P([O-])([O-])C(N1CCCCCC1)P(=O)([O-])[O-]	ZINC000005840872	170146023	/nfs/dbraw/zinc/14/60/23/170146023.db2.gz	ZHTLUMYTKGBLAN-UHFFFAOYSA-N	-4	3	273.162	0.501	1	0		CCAFHL
CC(C)CCNC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000005962624	170163359	/nfs/dbraw/zinc/16/33/59/170163359.db2.gz	YEJDKVYILKPNIE-UHFFFAOYSA-N	-4	3	261.151	0.261	1	0		CCAFHL
COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc1[O-]	ZINC000015261161	560229790	/nfs/dbraw/zinc/22/97/90/560229790.db2.gz	NAZILJHSHDTNTQ-MRVPVSSYSA-N	-3	3	297.263	0.449	1	0	in-vitro	CCAFHL
CC[C@@H](C)[C@@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487138	574415973	/nfs/dbraw/zinc/41/59/73/574415973.db2.gz	SEORUFKHRDTKBJ-HZGVNTEJSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
O=P([O-])([O-])C(CSc1ncc[nH]1)P(=O)([O-])[O-]	ZINC000040379054	174249938	/nfs/dbraw/zinc/24/99/38/174249938.db2.gz	KVMQBCIVXMEYRO-UHFFFAOYSA-N	-4	3	288.158	0.183	1	0	in-vivo	CCAFHL
CC[C@@H](C)C(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486840	574415866	/nfs/dbraw/zinc/41/58/66/574415866.db2.gz	DXPFJFMFPOVWAS-RQJHMYQMSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
CC[C@@H](C)C(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486837	574415884	/nfs/dbraw/zinc/41/58/84/574415884.db2.gz	DXPFJFMFPOVWAS-RNFRBKRXSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
Cc1cccnc1NCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000026735193	581092553	/nfs/dbraw/zinc/09/25/53/581092553.db2.gz	MEVVOZVAMXABEA-UHFFFAOYSA-N	-4	3	296.156	0.483	1	0		CCAFHL
O=P([O-])([O-])C[C@@H](c1ccncc1)P(=O)([O-])[O-]	ZINC000005940963	170159501	/nfs/dbraw/zinc/15/95/01/170159501.db2.gz	LMEUGMVMKAWITH-ZETCQYMHSA-N	-4	3	267.114	0.478	1	0		CCAFHL
CSCCC(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386598	574417608	/nfs/dbraw/zinc/41/76/08/574417608.db2.gz	XDSIRICMDCVRGZ-LURJTMIESA-N	-2	3	278.330	0.333	1	0	endogenous,in-vitro	CCAFHL
CC[C@@H](C)CNC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000006411717	170199641	/nfs/dbraw/zinc/19/96/41/170199641.db2.gz	ODVPKSLIYNODOK-RXMQYKEDSA-N	-4	3	261.151	0.261	1	0		CCAFHL
Cc1cccnc1NC[C@H](P(=O)([O-])[O-])S(=O)(=O)[O-]	ZINC000040584159	174345589	/nfs/dbraw/zinc/34/55/89/174345589.db2.gz	NQQFKUZMEIDBEV-SSDOTTSWSA-N	-3	3	296.241	0.194	1	0		CCAFHL
CC(C)CC(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486845	574415892	/nfs/dbraw/zinc/41/58/92/574415892.db2.gz	DXWGRZSPWQCRDI-SSDOTTSWSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
CC(C)(C)O[N-]C(=O)CC[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000095594715	185013581	/nfs/dbraw/zinc/01/35/81/185013581.db2.gz	ZVLQXZKBRAEEDB-SFYZADRCSA-N	-2	3	290.316	0.116	1	0		CCAFHL
CSCCC(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386595	574417596	/nfs/dbraw/zinc/41/75/96/574417596.db2.gz	XDSIRICMDCVRGZ-ZCFIWIBFSA-N	-2	3	278.330	0.333	1	0	endogenous,in-vitro	CCAFHL
O=C([O-])[C@@H](Cc1cnc2ccccn12)P(=O)([O-])[O-]	ZINC000072142804	176324265	/nfs/dbraw/zinc/32/42/65/176324265.db2.gz	WEBOUWCAFRUISK-MRVPVSSYSA-N	-3	3	270.181	0.508	1	0		CCAFHL
CC(C)C[C@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487303	574415998	/nfs/dbraw/zinc/41/59/98/574415998.db2.gz	JEBSEFLABWDZDK-ZETCQYMHSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
CC(C)C[C@@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487301	574416006	/nfs/dbraw/zinc/41/60/06/574416006.db2.gz	JEBSEFLABWDZDK-SSDOTTSWSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
CC[C@H](C)[C@@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487142	574416004	/nfs/dbraw/zinc/41/60/04/574416004.db2.gz	SEORUFKHRDTKBJ-IMTBSYHQSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
N[C@@H](CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100386604	574417600	/nfs/dbraw/zinc/41/76/00/574417600.db2.gz	HZCDPBDKPUCYLP-JTQLQIEISA-N	-2	3	294.307	0.823	1	0	endogenous,in-vitro	CCAFHL
CCCC[S@](=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095583584	185012880	/nfs/dbraw/zinc/01/28/80/185012880.db2.gz	LYAYZHXHERXZBO-MRXNPFEDSA-N	-4	3	294.202	0.217	1	0		CCAFHL
O=P([O-])([O-])C(N1CCCCC1)P(=O)([O-])[O-]	ZINC000005841140	170146351	/nfs/dbraw/zinc/14/63/51/170146351.db2.gz	JTLZXDRXWWHVHX-UHFFFAOYSA-N	-4	3	259.135	0.111	1	0		CCAFHL
Nc1ncnc2c1ccn2CCOCP(=O)([O-])[O-]	ZINC000005940843	170158876	/nfs/dbraw/zinc/15/88/76/170158876.db2.gz	HJXULWRBGNGTHU-UHFFFAOYSA-N	-2	3	272.201	0.165	1	0		CCAFHL
N[C@H](Cc1ccc(O)cc1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069488277	574416326	/nfs/dbraw/zinc/41/63/26/574416326.db2.gz	PQPZRHXABBLQHW-SECBINFHSA-N	-2	3	296.279	0.138	1	0	endogenous,in-vitro	CCAFHL
O=P([O-])([O-])C(CNc1cccnc1)P(=O)([O-])[O-]	ZINC000040753185	174395530	/nfs/dbraw/zinc/39/55/30/174395530.db2.gz	STDKVLBTTDNISE-UHFFFAOYSA-N	-4	3	282.129	0.175	1	0		CCAFHL
O=C([O-])c1nc(Cc2ccc(F)cc2)[nH]c(=O)c1[O-]	ZINC000049113460	526408552	/nfs/dbraw/zinc/40/85/52/526408552.db2.gz	AOEDATHTUPXYIO-UHFFFAOYSA-N	-2	3	264.212	0.904	1	0		CCAFHL
O=C(CCP(=O)([O-])[O-])Nc1cccc(CO)c1	ZINC000096907992	185128637	/nfs/dbraw/zinc/12/86/37/185128637.db2.gz	CUFDSBWWDJZCNW-UHFFFAOYSA-N	-2	3	259.198	0.685	1	0		CCAFHL
O=CN(O)CC[C@@H](c1cccnc1)P(=O)([O-])[O-]	ZINC000095585277	185012683	/nfs/dbraw/zinc/01/26/83/185012683.db2.gz	CVCNQONUMOHOGB-VIFPVBQESA-N	-2	3	260.186	0.538	1	0		CCAFHL
O=c1[nH]c2ccc(CP(=O)([O-])[O-])cc2[nH]c1=O	ZINC000040465321	174274405	/nfs/dbraw/zinc/27/44/05/174274405.db2.gz	FFPODHBZFXBNOB-UHFFFAOYSA-N	-2	3	256.154	0.719	1	0		CCAFHL
O=P([O-])([O-])C[C@@H](c1cccnc1)P(=O)([O-])[O-]	ZINC000005933547	170157971	/nfs/dbraw/zinc/15/79/71/170157971.db2.gz	UMDOGFHRQCJNDJ-ZETCQYMHSA-N	-4	3	267.114	0.478	1	0		CCAFHL
Cc1ncc(CO)c([C@H]2N[C@@H](C(=O)[O-])CCS2)c1[O-]	ZINC000072266792	176352776	/nfs/dbraw/zinc/35/27/76/176352776.db2.gz	ZLIAWSCQKUNLSI-KCJUWKMLSA-N	-2	3	284.337	0.766	1	0	in-man	CCAFHL
N[C@@H](Cc1ccccc1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069487633	574416126	/nfs/dbraw/zinc/41/61/26/574416126.db2.gz	ILSFZTPEMJPKFA-VIFPVBQESA-N	-2	3	280.280	0.432	1	0	endogenous,in-vitro	CCAFHL
CC(C)(C)O[N-]C(=O)CC[C@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000095594646	185014732	/nfs/dbraw/zinc/01/47/32/185014732.db2.gz	VCBCPDFVCKIJFQ-SSDOTTSWSA-N	-3	3	289.284	0.358	1	0		CCAFHL
Cc1csc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])n1	ZINC000028471464	581094688	/nfs/dbraw/zinc/09/46/88/581094688.db2.gz	WPRZJIVPPUKPKR-UHFFFAOYSA-N	-4	3	288.158	0.502	1	0		CCAFHL
Cc1cccnc1NC[C@@H](P(=O)([O-])[O-])S(=O)(=O)[O-]	ZINC000040584157	174345479	/nfs/dbraw/zinc/34/54/79/174345479.db2.gz	NQQFKUZMEIDBEV-ZETCQYMHSA-N	-3	3	296.241	0.194	1	0		CCAFHL
CSCC[C@@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487536	574416122	/nfs/dbraw/zinc/41/61/22/574416122.db2.gz	VWBVWOQXKIKNBS-ZCFIWIBFSA-N	-2	3	278.330	0.333	1	0	endogenous,in-vitro	CCAFHL
O=P([O-])([O-])C(O)(Cc1ccccc1)P(=O)([O-])[O-]	ZINC000021992002	171346602	/nfs/dbraw/zinc/34/66/02/171346602.db2.gz	DNTYYKAZXNGNBX-UHFFFAOYSA-N	-4	3	282.125	0.231	1	0		CCAFHL
N[C@H](CCSCCCCC(=O)[O-])c1nn[n-]n1	ZINC000096928970	185132132	/nfs/dbraw/zinc/13/21/32/185132132.db2.gz	FHOHIVBQPWFIKT-SSDOTTSWSA-N	-2	3	259.335	0.578	1	0		CCAFHL
N[C@H](CCSCCCCC(=O)[O-])c1nnn[n-]1	ZINC000096928970	185132134	/nfs/dbraw/zinc/13/21/34/185132134.db2.gz	FHOHIVBQPWFIKT-SSDOTTSWSA-N	-2	3	259.335	0.578	1	0		CCAFHL
O=c1c2c([O-])cc(O)cc2ncn1-c1ccc([O-])cn1	ZINC000013685392	581101541	/nfs/dbraw/zinc/10/15/41/581101541.db2.gz	WCOPDEMQCNTGAW-UHFFFAOYSA-N	-2	3	271.232	0.898	1	0		CCAFHL
O=C([O-])[C@@H](Cc1ccc([O-])cn1)[N-]C(=O)C(F)(F)F	ZINC000005581219	170116040	/nfs/dbraw/zinc/11/60/40/170116040.db2.gz	ADFNZYGKOGQTTA-SSDOTTSWSA-N	-3	3	278.186	0.461	1	0		CCAFHL
O=P([O-])([O-])C(NC1CCCC1)P(=O)([O-])[O-]	ZINC000005840056	170145797	/nfs/dbraw/zinc/14/57/97/170145797.db2.gz	LYSZBLYYIMZCOO-UHFFFAOYSA-N	-4	3	259.135	0.158	1	0		CCAFHL
N[C@H](CC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000069486555	574415776	/nfs/dbraw/zinc/41/57/76/574415776.db2.gz	QRAIXMOWAGNJLI-SECBINFHSA-N	-2	3	280.280	0.432	1	0	endogenous,in-vitro	CCAFHL
N[C@@H](Cc1ccccc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487652	574416124	/nfs/dbraw/zinc/41/61/24/574416124.db2.gz	SYDAAZGJLGWKHB-JTQLQIEISA-N	-2	3	294.307	0.823	1	0	endogenous,in-vitro	CCAFHL
N[C@H](CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100386601	574417614	/nfs/dbraw/zinc/41/76/14/574417614.db2.gz	HZCDPBDKPUCYLP-SNVBAGLBSA-N	-2	3	294.307	0.823	1	0	endogenous,in-vitro	CCAFHL
COc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc1[O-]	ZINC000015261159	560229780	/nfs/dbraw/zinc/22/97/80/560229780.db2.gz	NAZILJHSHDTNTQ-QMMMGPOBSA-N	-3	3	297.263	0.449	1	0	in-vitro	CCAFHL
CC(C)CC(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000069486848	574415870	/nfs/dbraw/zinc/41/58/70/574415870.db2.gz	DXWGRZSPWQCRDI-ZETCQYMHSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
Nc1ncnc2c1ncn2CC/C=C/P(=O)([O-])[O-]	ZINC000005941331	170159623	/nfs/dbraw/zinc/15/96/23/170159623.db2.gz	YIHJPLDVLHSBFS-DUXPYHPUSA-N	-2	3	269.201	0.490	1	0		CCAFHL
CC[C@H](C)CNC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000006412281	170199500	/nfs/dbraw/zinc/19/95/00/170199500.db2.gz	ODVPKSLIYNODOK-YFKPBYRVSA-N	-4	3	261.151	0.261	1	0		CCAFHL
O=P([O-])([O-])C(C[C@@H]1CCCC[NH2+]1)P(=O)([O-])[O-]	ZINC000001536800	581102247	/nfs/dbraw/zinc/10/22/47/581102247.db2.gz	TXRLEBBHLXZUOJ-LURJTMIESA-N	-3	3	273.162	0.200	1	0		CCAFHL
CCSCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095584547	185013182	/nfs/dbraw/zinc/01/31/82/185013182.db2.gz	MGLNOCWTGSDLAE-UHFFFAOYSA-N	-4	3	250.149	0.421	1	0		CCAFHL
Cc1cccc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])n1	ZINC000006523163	170209449	/nfs/dbraw/zinc/20/94/49/170209449.db2.gz	PUHGLMILUJLANU-UHFFFAOYSA-N	-4	3	282.129	0.441	1	0		CCAFHL
C[C@]1(C(=O)[O-])CSC(c2ncc([O-])cc2O)=N1	ZINC000095553958	185008106	/nfs/dbraw/zinc/00/81/06/185008106.db2.gz	JLGHXDQVHIGZLQ-SNVBAGLBSA-N	-2	3	254.267	0.830	1	0		CCAFHL
Cc1ncc(CO)c([C@@H]2N[C@H](C(=O)[O-])CCS2)c1[O-]	ZINC000072266790	176352857	/nfs/dbraw/zinc/35/28/57/176352857.db2.gz	ZLIAWSCQKUNLSI-GZMMTYOYSA-N	-2	3	284.337	0.766	1	0	in-man	CCAFHL
CC[C@@H](C)[C@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487143	574416028	/nfs/dbraw/zinc/41/60/28/574416028.db2.gz	SEORUFKHRDTKBJ-MUWHJKNJSA-N	-2	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHL
Cc1ccnc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000013473669	581092515	/nfs/dbraw/zinc/09/25/15/581092515.db2.gz	BAYFWSDXNJQZPY-UHFFFAOYSA-N	-4	3	282.129	0.441	1	0		CCAFHL
O=P([O-])([O-])C(F)(Cc1cccnc1)P(=O)([O-])[O-]	ZINC000028866114	581102180	/nfs/dbraw/zinc/10/21/80/581102180.db2.gz	HHDUHWLBPDOLIL-UHFFFAOYSA-N	-4	3	285.104	0.603	1	0	in-vitro	CCAFHL
N[C@]1(C(=O)[O-])C[C@H](C(=O)[O-])N(Cc2ccccc2Cl)C1	ZINC000029571187	171604694	/nfs/dbraw/zinc/60/46/94/171604694.db2.gz	BXTHDFVMVOKYQK-ZWNOBZJWSA-N	-2	3	298.726	0.781	1	0		CCAFHL
N[C@@H](Cc1ccccc1)C(=O)NCCCP(=O)([O-])[O-]	ZINC000095586947	185012121	/nfs/dbraw/zinc/01/21/21/185012121.db2.gz	HTPDLZHNIPIGTB-NSHDSACASA-N	-2	3	286.268	0.240	1	0		CCAFHL
CC[C@H](C)[C@H](NC(=O)[C@]1(N)CC[C@H]2[C@H](C(=O)[O-])[C@H]21)C(=O)[O-]	ZINC000028466639	171559348	/nfs/dbraw/zinc/55/93/48/171559348.db2.gz	RJXXFUVRINXZHS-NXXVVIPISA-N	-2	3	298.339	0.040	1	0		CCAFHL
N[C@H](Cc1ccccc1)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069487630	574416154	/nfs/dbraw/zinc/41/61/54/574416154.db2.gz	ILSFZTPEMJPKFA-SECBINFHSA-N	-2	3	280.280	0.432	1	0	endogenous,in-vitro	CCAFHL
O=P([O-])([O-])C(O)(CCc1cccnc1)P(=O)([O-])[O-]	ZINC000001887269	581102273	/nfs/dbraw/zinc/10/22/73/581102273.db2.gz	ILROXFQHACCDLA-UHFFFAOYSA-N	-4	3	297.140	0.016	1	0	in-vivo	CCAFHL