smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1(C(=O)[O-])CCCC1	1589766	534482210	/nfs/dbraw/zinc/48/22/10/534482210.db2.gz	YZFOGXKZTWZVFN-UHFFFAOYSA-N	-2	0	158.153	0.716	50	0	in-vitro	ACAARL
CC1C=C(C(=O)[O-])OC(C(=O)[O-])=C1	238176144	538251988	/nfs/dbraw/zinc/25/19/88/538251988.db2.gz	VBEDNSNSMLCGFG-UHFFFAOYSA-N	-2	0	184.147	0.590	50	0		ACAARL
C[C@H]1CCC1(C(=O)[O-])C(=O)[O-]	36458714	572210890	/nfs/dbraw/zinc/21/08/90/572210890.db2.gz	OBFAXCYFXUCKIG-BYPYZUCNSA-N	-2	0	158.153	0.572	50	0		ACAARL
C[C@@H]1CCC1(C(=O)[O-])C(=O)[O-]	36458713	572211329	/nfs/dbraw/zinc/21/13/29/572211329.db2.gz	OBFAXCYFXUCKIG-SCSAIBSYSA-N	-2	0	158.153	0.572	50	0		ACAARL
O=C([O-])c1ccccc1-c1nn[n-]n1	129384	1424274648	/nfs/dbraw/zinc/27/46/48/1424274648.db2.gz	QRKJBXMXOAQYEC-UHFFFAOYSA-N	-2	0	190.162	0.565	50	0	in-vitro	ACAARL
O=C([O-])c1cccc(-c2nn[n-]n2)c1	4581542	1424394591	/nfs/dbraw/zinc/39/45/91/1424394591.db2.gz	MIERACSHCALJOM-UHFFFAOYSA-N	-2	0	190.162	0.565	50	0	in-vitro	ACAARL
O=C([O-])[C@]12CCC[C@@]1(C(=O)[O-])C2	39375133	571924005	/nfs/dbraw/zinc/92/40/05/571924005.db2.gz	QCRFMOJKZTZIAT-OCAPTIKFSA-N	-2	0	170.164	0.716	50	0		ACAARL
Cc1cc(CC(C(=O)[O-])C(=O)[O-])no1	225645576	571937848	/nfs/dbraw/zinc/93/78/48/571937848.db2.gz	DPZURBSTTXIKNN-UHFFFAOYSA-N	-2	0	199.162	0.311	50	0		ACAARL
O=C([O-])C(CC1CCC1)C(=O)[O-]	115019567	572600108	/nfs/dbraw/zinc/60/01/08/572600108.db2.gz	BEFGISLZPBHJDH-UHFFFAOYSA-N	-2	0	172.180	0.962	50	0		ACAARL
O=C([O-])/C=C\C=C\C(=O)[O-]	13509058	574413311	/nfs/dbraw/zinc/41/33/11/574413311.db2.gz	TXXHDPDFNKHHGW-HSFFGMMNSA-N	-2	0	142.110	0.268	50	0	endogenous,in-vitro	ACAARL
CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)[O-]	32250563	486715502	/nfs/dbraw/zinc/71/55/02/486715502.db2.gz	YCIYREMKVHKNLH-YLWLKBPMSA-N	-2	0	172.180	0.818	50	0		ACAARL
CC(C)=C(C[P@@](=O)([O-])O)C(=O)[O-]	196484618	582474945	/nfs/dbraw/zinc/47/49/45/582474945.db2.gz	PBLMAJPRJSXUNP-UHFFFAOYSA-N	-2	0	194.123	0.585	50	0		ACAARL
C[C@H](SCC(=O)[O-])C(=O)[O-]	6850642	136407557	/nfs/dbraw/zinc/40/75/57/136407557.db2.gz	UEHXJEXLYJVLTJ-VKHMYHEASA-N	-2	0	164.182	0.277	50	0		ACAARL
C[C@]1(C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	39641715	136408429	/nfs/dbraw/zinc/40/84/29/136408429.db2.gz	UAVBJCGFDYWJAG-OCAPTIKFSA-N	-2	0	172.180	0.962	50	0		ACAARL
C[C@@]1(C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	39641717	136408506	/nfs/dbraw/zinc/40/85/06/136408506.db2.gz	UAVBJCGFDYWJAG-YUMQZZPRSA-N	-2	0	172.180	0.962	50	0		ACAARL
Cc1cn(C)c(CC(=O)[O-])c1C(=O)[O-]	120541	342927195	/nfs/dbraw/zinc/92/71/95/342927195.db2.gz	FASPXTNRUAOAGU-UHFFFAOYSA-N	-2	0	197.190	0.659	50	0	in-vitro	ACAARL
O=C([O-])C(=Cc1ccco1)C(=O)[O-]	276166	342932415	/nfs/dbraw/zinc/93/24/15/342932415.db2.gz	GTAKBAZBOLLVFR-UHFFFAOYSA-N	-2	0	182.131	0.832	50	0		ACAARL
O=C([O-])c1cccnc1C(=O)[O-]	331671	342933720	/nfs/dbraw/zinc/93/37/20/342933720.db2.gz	GJAWHXHKYYXBSV-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	endogenous,in-man	ACAARL
Cc1ccc(C(=O)[O-])c(C(=O)[O-])n1	389639	342935950	/nfs/dbraw/zinc/93/59/50/342935950.db2.gz	PHQBKLKZIXCRIX-UHFFFAOYSA-N	-2	0	181.147	0.786	50	0	in-vitro	ACAARL
C[C@H](CC(=O)[O-])C(=O)[O-]	391200	342936380	/nfs/dbraw/zinc/93/63/80/342936380.db2.gz	WXUAQHNMJWJLTG-GSVOUGTGSA-N	-2	0	132.115	0.182	50	0	endogenous,in-man	ACAARL
O=C([O-])CCCOCCCC(=O)[O-]	2170184	342970812	/nfs/dbraw/zinc/97/08/12/342970812.db2.gz	RHIVLTKIJSCFNW-UHFFFAOYSA-N	-2	0	190.195	0.733	50	0		ACAARL
Cc1c(C(=O)[O-])c[nH]c1C(=O)[O-]	4654786	342993513	/nfs/dbraw/zinc/99/35/13/342993513.db2.gz	DVIKMLHVAWYDMS-UHFFFAOYSA-N	-2	0	169.136	0.720	50	0	in-vitro	ACAARL
C[C@]1(C(=O)[O-])C[C@H]1C(=O)[O-]	4862949	342996506	/nfs/dbraw/zinc/99/65/06/342996506.db2.gz	CUXGZYHWQYTLKE-DZSWIPIPSA-N	-2	0	144.126	0.182	50	0		ACAARL
C[C@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	4862947	342996521	/nfs/dbraw/zinc/99/65/21/342996521.db2.gz	CUXGZYHWQYTLKE-CVYQJGLWSA-N	-2	0	144.126	0.182	50	0		ACAARL
Cc1nc(C(=O)[O-])c(C(=O)[O-])nc1C	4343255	342991102	/nfs/dbraw/zinc/99/11/02/342991102.db2.gz	CEHPKLRUCVRKFF-UHFFFAOYSA-N	-2	0	196.162	0.490	50	0		ACAARL
CC/C(=C/C(=O)[O-])C(=O)[O-]	5458989	343003158	/nfs/dbraw/zinc/00/31/58/343003158.db2.gz	SASYHUDIOGGZCN-ARJAWSKDSA-N	-2	0	144.126	0.492	50	0		ACAARL
Cc1cc(C(=O)[O-])c(C(=O)[O-])c(=O)[nH]1	8627857	343019025	/nfs/dbraw/zinc/01/90/25/343019025.db2.gz	NRDIWFNIJGTANY-UHFFFAOYSA-N	-2	0	197.146	0.492	50	0	in-vitro	ACAARL
Cc1ccn([C@@H](CC(=O)[O-])C(=O)[O-])n1	19093999	343051545	/nfs/dbraw/zinc/05/15/45/343051545.db2.gz	XMOYXMGSBMYOFG-LURJTMIESA-N	-2	0	198.178	0.292	50	0	in-vitro	ACAARL
Cc1c(C(=O)[O-])c[nH]c(=O)c1C(=O)[O-]	39202805	343205713	/nfs/dbraw/zinc/20/57/13/343205713.db2.gz	SNXBCAHEWAXPDD-UHFFFAOYSA-N	-2	0	197.146	0.492	50	0		ACAARL
C[C@H]1[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	104691731	343735359	/nfs/dbraw/zinc/73/53/59/343735359.db2.gz	CUXGPKYJOMGPCJ-JANPFBAGSA-N	-2	0	144.126	0.038	50	0		ACAARL
C/C(=C/C(=O)[O-])C(=O)[O-]	3860287	166047565	/nfs/dbraw/zinc/04/75/65/166047565.db2.gz	HNEGQIOMVPPMNR-IHWYPQMZSA-N	-2	0	130.099	0.102	50	0	endogenous,in-man	ACAARL
C/C(=C\C(=O)[O-])C(=O)[O-]	4501410	166048681	/nfs/dbraw/zinc/04/86/81/166048681.db2.gz	HNEGQIOMVPPMNR-NSCUHMNNSA-N	-2	0	130.099	0.102	50	0	endogenous,in-man	ACAARL
C/C(=C\C(=O)[O-])CC(=O)[O-]	4712490	166048758	/nfs/dbraw/zinc/04/87/58/166048758.db2.gz	WKRBKYFIJPGYQC-DUXPYHPUSA-N	-2	0	144.126	0.492	50	0	endogenous,in-man	ACAARL
C/C(=C/[C@@H](C)C(=O)[O-])C(=O)[O-]	139895333	166049640	/nfs/dbraw/zinc/04/96/40/166049640.db2.gz	PGFSIJPPLFIHDW-YZRPVEKSSA-N	-2	0	158.153	0.738	50	0		ACAARL
C/C(=C/[C@H](C)C(=O)[O-])C(=O)[O-]	139895218	166049811	/nfs/dbraw/zinc/04/98/11/166049811.db2.gz	PGFSIJPPLFIHDW-BNWFAOCJSA-N	-2	0	158.153	0.738	50	0		ACAARL
C/C(=C/CC(=O)[O-])C(=O)[O-]	1761023	166049940	/nfs/dbraw/zinc/04/99/40/166049940.db2.gz	JKGHDBJDBRBRNA-RQOWECAXSA-N	-2	0	144.126	0.492	50	0		ACAARL
C/C(C(=O)[O-])=C(/C)C(=O)[O-]	13525413	166056223	/nfs/dbraw/zinc/05/62/23/166056223.db2.gz	CGBYBGVMDAPUIH-ONEGZZNKSA-N	-2	0	144.126	0.492	50	0		ACAARL
CC(=O)C(C)(C)C(C(=O)[O-])C(=O)[O-]	236553	166235804	/nfs/dbraw/zinc/23/58/04/166235804.db2.gz	PXLBCRXFFXVBRU-UHFFFAOYSA-N	-2	0	188.179	0.387	50	0		ACAARL
CC(C)(C(=O)[O-])C(=O)[O-]	337821	166342202	/nfs/dbraw/zinc/34/22/02/166342202.db2.gz	OREAFAJWWJHCOT-UHFFFAOYSA-N	-2	0	132.115	0.182	50	0	endogenous,in-man	ACAARL
CC(C)(CCC(=O)[O-])C(=O)[O-]	388608	166392554	/nfs/dbraw/zinc/39/25/54/166392554.db2.gz	BTUDGPVTCYNYLK-UHFFFAOYSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
CC(C)(CC(=O)[O-])CC(=O)[O-]	388609	166392830	/nfs/dbraw/zinc/39/28/30/166392830.db2.gz	DUHQIGLHYXLKAE-UHFFFAOYSA-N	-2	0	160.169	0.962	50	0	endogenous,in-man	ACAARL
CC(C)(CC(=O)[O-])C(=O)[O-]	388596	166392940	/nfs/dbraw/zinc/39/29/40/166392940.db2.gz	GOHPTLYPQCTZSE-UHFFFAOYSA-N	-2	0	146.142	0.572	50	0	endogenous,in-man	ACAARL
CC(C)/C(=C\C(=O)[O-])C(=O)[O-]	31623638	166411584	/nfs/dbraw/zinc/41/15/84/166411584.db2.gz	NJMGRJLQRLFQQX-HWKANZROSA-N	-2	0	158.153	0.738	50	0	in-vitro	ACAARL
CC(C)(SCC(=O)[O-])C(=O)[O-]	58253452	166412941	/nfs/dbraw/zinc/41/29/41/166412941.db2.gz	YPTVRBPJTHXHRA-UHFFFAOYSA-N	-2	0	178.209	0.667	50	0	in-vitro	ACAARL
CC1(C)[C@@H](C(=O)[O-])C[C@H]1C(=O)[O-]	4759986	166697807	/nfs/dbraw/zinc/69/78/07/166697807.db2.gz	KLGKVMMWRDYKJM-SYDPRGILSA-N	-2	0	172.180	0.818	50	0		ACAARL
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	1643378	166698966	/nfs/dbraw/zinc/69/89/66/166698966.db2.gz	MSPJNHHBNOLHOC-QWWZWVQMSA-N	-2	0	158.153	0.428	50	0		ACAARL
CC1=C(C(=O)[O-])[C@H](C(=O)[O-])CC1	5500238	166714112	/nfs/dbraw/zinc/71/41/12/166714112.db2.gz	PTMAUWQVVHTGHB-RXMQYKEDSA-N	-2	0	170.164	0.882	50	0		ACAARL
CC1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	95883774	166754111	/nfs/dbraw/zinc/75/41/11/166754111.db2.gz	KPNLIOQRPMSQNQ-PHDIDXHHSA-N	-2	0	172.180	0.818	50	0		ACAARL
CCCCC(C(=O)[O-])C(=O)[O-]	1587590	166845089	/nfs/dbraw/zinc/84/50/89/166845089.db2.gz	MCRZWYDXIGCFKO-UHFFFAOYSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
CCCC[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	4764172	166912584	/nfs/dbraw/zinc/91/25/84/166912584.db2.gz	MQVBPERQKIUJRM-PHDIDXHHSA-N	-2	0	190.195	0.323	50	0		ACAARL
CCCC[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]	4764167	166912918	/nfs/dbraw/zinc/91/29/18/166912918.db2.gz	MQVBPERQKIUJRM-RITPCOANSA-N	-2	0	190.195	0.323	50	0		ACAARL
CCC[C@@H](CC(=O)[O-])C(=O)[O-]	30731341	167038090	/nfs/dbraw/zinc/03/80/90/167038090.db2.gz	QLTZBYGZXPKHLF-YFKPBYRVSA-N	-2	0	160.169	0.962	50	0	in-man	ACAARL
CCC[C@H](CC(=O)[O-])C(=O)[O-]	2578955	167074810	/nfs/dbraw/zinc/07/48/10/167074810.db2.gz	QLTZBYGZXPKHLF-RXMQYKEDSA-N	-2	0	160.169	0.962	50	0	in-man	ACAARL
CCCc1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	21299679	167110053	/nfs/dbraw/zinc/11/00/53/167110053.db2.gz	BGPZYJSOTDBJMV-UHFFFAOYSA-N	-2	0	198.178	0.759	50	0		ACAARL
CCOC(=O)P(=O)([O-])[O-]	2008862	167345038	/nfs/dbraw/zinc/34/50/38/167345038.db2.gz	WBIAZONFXLIADH-UHFFFAOYSA-N	-2	0	154.058	0.321	50	0	in-vitro	ACAARL
CCOP(=O)([O-])[O-]	5575803	167398833	/nfs/dbraw/zinc/39/88/33/167398833.db2.gz	ZJXZSIYSNXKHEA-UHFFFAOYSA-N	-2	0	126.048	0.116	50	0	endogenous,in-man	ACAARL
CC[C@H](CC(=O)[O-])C(=O)[O-]	1845890	167639256	/nfs/dbraw/zinc/63/92/56/167639256.db2.gz	RVHOBHMAPRVOLO-SCSAIBSYSA-N	-2	0	146.142	0.572	50	0		ACAARL
CC[C@H](O[C@H](CC)C(=O)[O-])C(=O)[O-]	113845984	167673754	/nfs/dbraw/zinc/67/37/54/167673754.db2.gz	RUARALYJHUDLAX-OLQVQODUSA-N	-2	0	190.195	0.729	50	0		ACAARL
CNc1ccccc1P(=O)([O-])[O-]	2759055	168068840	/nfs/dbraw/zinc/06/88/40/168068840.db2.gz	VKEPPHQSJIBULH-UHFFFAOYSA-N	-2	0	187.135	0.531	50	0		ACAARL
CO[C@@H](CCC(=O)[O-])CC(=O)[O-]	4831464	168204380	/nfs/dbraw/zinc/20/43/80/168204380.db2.gz	TURPUAICQCJDTN-YFKPBYRVSA-N	-2	0	176.168	0.341	50	0		ACAARL
CO[C@H](CCC(=O)[O-])CC(=O)[O-]	1604397	168214298	/nfs/dbraw/zinc/21/42/98/168214298.db2.gz	TURPUAICQCJDTN-RXMQYKEDSA-N	-2	0	176.168	0.341	50	0		ACAARL
COc1cc(C(=O)[O-])nc(C(=O)[O-])c1	35653845	168229128	/nfs/dbraw/zinc/22/91/28/168229128.db2.gz	INGKNNWONGEVCL-UHFFFAOYSA-N	-2	0	197.146	0.487	50	0		ACAARL
COc1ccc(C(=O)C(=O)[O-])c([O-])c1	5675584	168244954	/nfs/dbraw/zinc/24/49/54/168244954.db2.gz	NBANOCCTBSTANC-UHFFFAOYSA-N	-2	0	196.158	0.668	50	0		ACAARL
COc1ccc(P(=O)([O-])[O-])cc1	2146581	168256722	/nfs/dbraw/zinc/25/67/22/168256722.db2.gz	SCMAYTUWDLAAAO-UHFFFAOYSA-N	-2	0	188.119	0.498	50	0	in-vitro	ACAARL
C[C@@H](C(=O)[O-])C(C)(C)C(=O)[O-]	1578781	168325078	/nfs/dbraw/zinc/32/50/78/168325078.db2.gz	KJDGGLOKWHMBOX-BYPYZUCNSA-N	-2	0	160.169	0.818	50	0		ACAARL
C[C@@H](C(=O)[O-])[C@@H]1SC(=O)[N-]C1=O	3637790	168326897	/nfs/dbraw/zinc/32/68/97/168326897.db2.gz	KWHFVHRLIRLOLD-GBXIJSLDSA-N	-2	0	189.192	0.059	50	0		ACAARL
C[C@@H](C(=O)[O-])[C@H]1SC(=O)[N-]C1=O	3637793	168327257	/nfs/dbraw/zinc/32/72/57/168327257.db2.gz	KWHFVHRLIRLOLD-PWNYCUMCSA-N	-2	0	189.192	0.059	50	0		ACAARL
C[C@@H](C(=O)[O-])[C@@H](C)C(=O)[O-]	388421	168327797	/nfs/dbraw/zinc/32/77/97/168327797.db2.gz	KLZYRCVPDWTZLH-QWWZWVQMSA-N	-2	0	146.142	0.428	50	0	in-vitro	ACAARL
C[C@@H](C(=O)[O-])n1ccc(C(=O)[O-])n1	12357882	168330491	/nfs/dbraw/zinc/33/04/91/168330491.db2.gz	HJPUGIHRYIHCHE-BYPYZUCNSA-N	-2	0	184.151	0.227	50	0		ACAARL
C[C@@H](CC(=O)[O-])C(=O)[O-]	391199	168334323	/nfs/dbraw/zinc/33/43/23/168334323.db2.gz	WXUAQHNMJWJLTG-VKHMYHEASA-N	-2	0	132.115	0.182	50	0	endogenous,in-man	ACAARL
C[C@@H](CC(=O)[O-])[C@@H](C)C(=O)[O-]	1620984	168335666	/nfs/dbraw/zinc/33/56/66/168335666.db2.gz	LQNGULJVMSGMOE-CRCLSJGQSA-N	-2	0	160.169	0.818	50	0	in-vitro	ACAARL
C[C@@H](CCC(=O)[O-])CC(=O)[O-]	2032650	168336681	/nfs/dbraw/zinc/33/66/81/168336681.db2.gz	SYEOWUNSTUDKGM-YFKPBYRVSA-N	-2	0	160.169	0.962	50	0	endogenous,in-man	ACAARL
C[C@@H](CCCC(=O)[O-])C(=O)[O-]	2573948	168337200	/nfs/dbraw/zinc/33/72/00/168337200.db2.gz	JZUMVFMLJGSMRF-YFKPBYRVSA-N	-2	0	160.169	0.962	50	0	in-man	ACAARL
C[C@@H](CCC(=O)[O-])C(=O)[O-]	388193	168337747	/nfs/dbraw/zinc/33/77/47/168337747.db2.gz	AQYCMVICBNBXNA-BYPYZUCNSA-N	-2	0	146.142	0.572	50	0	endogenous,in-man	ACAARL
C[C@@H](C[C@@H](C)C(=O)[O-])C(=O)[O-]	401411	168352383	/nfs/dbraw/zinc/35/23/83/168352383.db2.gz	VIWYMIDWAOZEAZ-SYDPRGILSA-N	-2	0	160.169	0.818	50	0		ACAARL
C[C@@H](C[C@H](C)C(=O)[O-])C(=O)[O-]	401413	168353059	/nfs/dbraw/zinc/35/30/59/168353059.db2.gz	VIWYMIDWAOZEAZ-WHFBIAKZSA-N	-2	0	160.169	0.818	50	0		ACAARL
C[C@@H]1C=CC[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	2384768	168408323	/nfs/dbraw/zinc/40/83/23/168408323.db2.gz	ZPRXNOLDOXHXIQ-DSYKOEDSSA-N	-2	0	184.191	0.984	50	0	in-vitro	ACAARL
C[C@@]1(C(=O)[O-])CC12C[C@@]2(C)C(=O)[O-]	4728618	168498725	/nfs/dbraw/zinc/49/87/25/168498725.db2.gz	KBRFBMYJZWMKBM-JVIMKECRSA-N	-2	0	184.191	0.962	50	0		ACAARL
C[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	4862948	168499069	/nfs/dbraw/zinc/49/90/69/168499069.db2.gz	CUXGZYHWQYTLKE-AWFVSMACSA-N	-2	0	144.126	0.182	50	0		ACAARL
C[C@H](C(=O)[O-])[C@H](C)CC(=O)[O-]	394319	168515291	/nfs/dbraw/zinc/51/52/91/168515291.db2.gz	LQNGULJVMSGMOE-UHNVWZDZSA-N	-2	0	160.169	0.818	50	0	in-vitro	ACAARL
C[C@H](SCCC(=O)[O-])C(=O)[O-]	49854417	168589023	/nfs/dbraw/zinc/58/90/23/168589023.db2.gz	SIHCENGFXNSHNG-BYPYZUCNSA-N	-2	0	178.209	0.667	50	0		ACAARL
C[C@]1(C(=O)[O-])CC12C[C@]2(C)C(=O)[O-]	4728619	168684620	/nfs/dbraw/zinc/68/46/20/168684620.db2.gz	KBRFBMYJZWMKBM-ZAZKALAHSA-N	-2	0	184.191	0.962	50	0		ACAARL
C[C@]1(CC(=O)[O-])SC(=O)[N-]C1=O	1255065	168686944	/nfs/dbraw/zinc/68/69/44/168686944.db2.gz	CPSUMNMDBDCKMX-ZCFIWIBFSA-N	-2	0	189.192	0.203	50	0		ACAARL
Cc1occ(C(=O)[O-])c1C(=O)[O-]	4228063	169010113	/nfs/dbraw/zinc/01/01/13/169010113.db2.gz	DMVWTHJBGHANLQ-UHFFFAOYSA-N	-2	0	170.120	0.984	50	0	in-vitro	ACAARL
Cn1ccc(C(=O)[O-])c1CC(=O)[O-]	2548971	169044607	/nfs/dbraw/zinc/04/46/07/169044607.db2.gz	HCEANTQTOYOMSH-UHFFFAOYSA-N	-2	0	183.163	0.350	50	0	in-vitro	ACAARL
NNc1cc(C(=O)[O-])ccc1C(=O)[O-]	2533967	169237461	/nfs/dbraw/zinc/23/74/61/169237461.db2.gz	NPDGXVBAYQWWPO-UHFFFAOYSA-N	-2	0	196.162	0.369	50	0	in-vitro	ACAARL
NNc1cc(C(=O)[O-])cc(C(=O)[O-])c1	2582501	169238116	/nfs/dbraw/zinc/23/81/16/169238116.db2.gz	RPVVTFIXGGRKET-UHFFFAOYSA-N	-2	0	196.162	0.369	50	0	in-vitro	ACAARL
Nc1cc(C(=O)[O-])ccc1C(=O)[O-]	389863	169284634	/nfs/dbraw/zinc/28/46/34/169284634.db2.gz	GPNNOCMCNFXRAO-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	2504354	169285010	/nfs/dbraw/zinc/28/50/10/169285010.db2.gz	KBZFDRWPMZESDI-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
Nc1cc(C(=O)[O-])c(O)c(C(=O)[O-])c1	84230886	169285132	/nfs/dbraw/zinc/28/51/32/169285132.db2.gz	LZWQHDDDGHXOEL-UHFFFAOYSA-N	-2	0	197.146	0.371	50	0		ACAARL
Nc1cc(C(=O)[O-])c(N)cc1C(=O)[O-]	330106	169285289	/nfs/dbraw/zinc/28/52/89/169285289.db2.gz	WIOZZYWDYUOMAY-UHFFFAOYSA-N	-2	0	196.162	0.247	50	0		ACAARL
Nc1cc(C(=O)[O-])ccc1CC(=O)[O-]	95494751	169285637	/nfs/dbraw/zinc/28/56/37/169285637.db2.gz	AWEAADJNCLTMMV-UHFFFAOYSA-N	-2	0	195.174	0.594	50	0	in-vitro	ACAARL
Nc1cc(O)c(C(=O)[O-])cc1C(=O)[O-]	5932710	169286771	/nfs/dbraw/zinc/28/67/71/169286771.db2.gz	BLBBHFYLFBKYNA-UHFFFAOYSA-N	-2	0	197.146	0.371	50	0		ACAARL
Nc1cc(N)c(C(=O)[O-])cc1C(=O)[O-]	3191201	169287513	/nfs/dbraw/zinc/28/75/13/169287513.db2.gz	ILPDVOFDSNNCNY-UHFFFAOYSA-N	-2	0	196.162	0.247	50	0		ACAARL
Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1	403420	169291398	/nfs/dbraw/zinc/29/13/98/169291398.db2.gz	OXSANYRLJHSQEP-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
Nc1ccc(C(=O)[O-])cc1C(=O)[O-]	33494531	169291811	/nfs/dbraw/zinc/29/18/11/169291811.db2.gz	BDBLLWHZWCBDAR-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
Nc1ccc(P(=O)([O-])[O-])cc1	1555515	169293173	/nfs/dbraw/zinc/29/31/73/169293173.db2.gz	OAOBMEMWHJWPNA-UHFFFAOYSA-N	-2	0	173.108	0.072	50	0	in-vitro	ACAARL
Nc1cccc(C(=O)[O-])c1C(=O)[O-]	389579	169295690	/nfs/dbraw/zinc/29/56/90/169295690.db2.gz	WGLQHUKCXBXUDV-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
Nc1cnc(C(=O)[O-])c(C(=O)[O-])c1	82874624	169301841	/nfs/dbraw/zinc/30/18/41/169301841.db2.gz	WVDZHPOUZQHFDL-UHFFFAOYSA-N	-2	0	182.135	0.060	50	0		ACAARL
Nc1nc(C(=O)[O-])ccc1C(=O)[O-]	95769067	169304828	/nfs/dbraw/zinc/30/48/28/169304828.db2.gz	OPKSHNQGFFNZBN-UHFFFAOYSA-N	-2	0	182.135	0.060	50	0		ACAARL
Nc1ncc(C(=O)[O-])cc1C(=O)[O-]	4202689	169308115	/nfs/dbraw/zinc/30/81/15/169308115.db2.gz	IVLPFCOWTKBYGG-UHFFFAOYSA-N	-2	0	182.135	0.060	50	0	in-vitro	ACAARL
Nc1nc2nc(C(=O)[O-])cc-2c[nH]1	238622317	169308638	/nfs/dbraw/zinc/30/86/38/169308638.db2.gz	VQEXTRJQBACQQL-UHFFFAOYSA-N	-2	0	178.151	0.238	50	0		ACAARL
O=C([N-]C1(C(=O)[O-])CC1)C(F)(F)F	39084375	169326177	/nfs/dbraw/zinc/32/61/77/169326177.db2.gz	ZWFYYKVOJQHLTH-UHFFFAOYSA-N	-2	0	197.112	0.282	50	0	in-vitro	ACAARL
O=C([O-])/C=C(/Br)C(=O)[O-]	4787542	169334054	/nfs/dbraw/zinc/33/40/54/169334054.db2.gz	SOWPGKJPEXNMCS-OWOJBTEDSA-N	-2	0	194.968	0.434	50	0		ACAARL
O=C([O-])/C=C(\F)C(=O)[O-]	5112554	169334218	/nfs/dbraw/zinc/33/42/18/169334218.db2.gz	OISKHJXTRQPMQT-UPHRSURJSA-N	-2	0	134.062	0.009	50	0	in-vitro	ACAARL
O=C([O-])/C=C/CC(=O)[O-]	160274	169334460	/nfs/dbraw/zinc/33/44/60/169334460.db2.gz	XVOUMQNXTGKGMA-OWOJBTEDSA-N	-2	0	130.099	0.102	50	0	endogenous,in-man	ACAARL
O=C([O-])/C=C(\Br)C(=O)[O-]	13525598	169334481	/nfs/dbraw/zinc/33/44/81/169334481.db2.gz	SOWPGKJPEXNMCS-UPHRSURJSA-N	-2	0	194.968	0.434	50	0	in-vitro	ACAARL
O=C([O-])/C=C/C=C/C(=O)[O-]	4521703	169334537	/nfs/dbraw/zinc/33/45/37/169334537.db2.gz	TXXHDPDFNKHHGW-ZPUQHVIOSA-N	-2	0	142.110	0.268	50	0	endogenous,in-man	ACAARL
O=C([O-])/C=C(\Cl)C(=O)[O-]	4800622	169334599	/nfs/dbraw/zinc/33/45/99/169334599.db2.gz	ZQHJVIHCDHJVII-UPHRSURJSA-N	-2	0	150.517	0.278	50	0		ACAARL
O=C([O-])/C=C/CCC(=O)[O-]	59724760	169334664	/nfs/dbraw/zinc/33/46/64/169334664.db2.gz	HSBSUGYTMJWPAX-HNQUOIGGSA-N	-2	0	144.126	0.492	50	0	endogenous,in-man	ACAARL
O=C([O-])/C=C\C=C/C(=O)[O-]	12405128	169335339	/nfs/dbraw/zinc/33/53/39/169335339.db2.gz	TXXHDPDFNKHHGW-CCAGOZQPSA-N	-2	0	142.110	0.268	50	0	endogenous,in-man	ACAARL
O=C([O-])C12CC(C(=O)[O-])(C1)C2	39303978	169335775	/nfs/dbraw/zinc/33/57/75/169335775.db2.gz	SBLRPOGZAJTJEG-UHFFFAOYSA-N	-2	0	156.137	0.326	50	0	in-vitro	ACAARL
O=C([O-])C1=C(C(=O)[O-])[C@H]2C=C[C@@H]1C2	4726517	169336072	/nfs/dbraw/zinc/33/60/72/169336072.db2.gz	NRIMHVFWRMABGJ-SYDPRGILSA-N	-2	0	180.159	0.658	50	0		ACAARL
O=C([O-])C1=C(C(=O)[O-])CCC1	4829362	169336221	/nfs/dbraw/zinc/33/62/21/169336221.db2.gz	JDHOCWRIAQDGEY-UHFFFAOYSA-N	-2	0	156.137	0.636	50	0		ACAARL
O=C([O-])C1CC2(C1)CC(C(=O)[O-])C2	341465	169336312	/nfs/dbraw/zinc/33/63/12/169336312.db2.gz	JQZAKMJZYGPUFD-UHFFFAOYSA-N	-2	0	184.191	0.962	50	0	in-vitro	ACAARL
O=C([O-])C1CC(C(=O)[O-])C1	5133268	169336538	/nfs/dbraw/zinc/33/65/38/169336538.db2.gz	WYHYNUWZLKTEEY-UHFFFAOYSA-N	-2	0	144.126	0.182	50	0	biogenic	ACAARL
O=C([O-])C1CCC(C(=O)[O-])CC1	3848696	169336831	/nfs/dbraw/zinc/33/68/31/169336831.db2.gz	PXGZQGDTEZPERC-UHFFFAOYSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])CCCCC(=O)[O-]	1530348	169337250	/nfs/dbraw/zinc/33/72/50/169337250.db2.gz	WNLRTRBMVRJNCN-UHFFFAOYSA-N	-2	0	146.142	0.716	50	0	endogenous,world	ACAARL
O=C([O-])CCC[P@](=O)([O-])O	2390189	169337295	/nfs/dbraw/zinc/33/72/95/169337295.db2.gz	UYRFPODVSLYSCO-UHFFFAOYSA-N	-2	0	168.085	0.029	50	0	in-vitro	ACAARL
O=C([O-])CCCCC(=O)C(=O)[O-]	2508023	169337326	/nfs/dbraw/zinc/33/73/26/169337326.db2.gz	HABHUTWTLGRDDU-UHFFFAOYSA-N	-2	0	174.152	0.285	50	0	in-vitro	ACAARL
O=C([O-])CCCC(=O)[O-]	388706	169337480	/nfs/dbraw/zinc/33/74/80/169337480.db2.gz	JFCQEDHGNNZCLN-UHFFFAOYSA-N	-2	0	132.115	0.326	50	0	endogenous,in-man	ACAARL
O=C([O-])CCCCC[P@](=O)([O-])O	13525538	169337665	/nfs/dbraw/zinc/33/76/65/169337665.db2.gz	SYFTUNQVCGSBOV-UHFFFAOYSA-N	-2	0	196.139	0.809	50	0		ACAARL
O=C([O-])CCCCS(=O)(=O)[O-]	34852675	169337774	/nfs/dbraw/zinc/33/77/74/169337774.db2.gz	WMAZPKZPRMNATL-UHFFFAOYSA-N	-2	0	182.197	0.129	50	0		ACAARL
O=C([O-])CCCC(=O)CCC(=O)[O-]	4664699	169337812	/nfs/dbraw/zinc/33/78/12/169337812.db2.gz	KWBLTEWTGCLJAW-UHFFFAOYSA-N	-2	0	188.179	0.675	50	0		ACAARL
O=C([O-])CC[C@@H](CC(=O)[O-])C(=O)[O-]	2044203	169338104	/nfs/dbraw/zinc/33/81/04/169338104.db2.gz	LOGBRYZYTBQBTB-BYPYZUCNSA-N	-3	0	190.151	0.027	50	0	in-vitro	ACAARL
O=C([O-])CC[N-]C(=O)C(F)(F)F	1714260	169338418	/nfs/dbraw/zinc/33/84/18/169338418.db2.gz	CHQZKOJTYLNXPH-UHFFFAOYSA-N	-2	0	185.101	0.140	50	0		ACAARL
O=C([O-])CCSCC(=O)[O-]	1999514	169338531	/nfs/dbraw/zinc/33/85/31/169338531.db2.gz	MLLYDWHLZFTQBY-UHFFFAOYSA-N	-2	0	164.182	0.279	50	0	in-man	ACAARL
O=C([O-])CCSCCC(=O)[O-]	1586443	169338684	/nfs/dbraw/zinc/33/86/84/169338684.db2.gz	ODJQKYXPKWQWNK-UHFFFAOYSA-N	-2	0	178.209	0.669	50	0	endogenous,in-man	ACAARL
O=C([O-])CC[C@H](CC(=O)[O-])C(=O)[O-]	1586744	169339027	/nfs/dbraw/zinc/33/90/27/169339027.db2.gz	LOGBRYZYTBQBTB-SCSAIBSYSA-N	-3	0	190.151	0.027	50	0	in-vitro	ACAARL
O=C([O-])CCc1cc(=O)[n-]o1	3883045	169339247	/nfs/dbraw/zinc/33/92/47/169339247.db2.gz	KUDOVWCIEXGFGN-UHFFFAOYSA-N	-2	0	157.125	0.397	50	0	in-vitro	ACAARL
O=C([O-])CCn1ccc(C(=O)[O-])n1	12357884	169339844	/nfs/dbraw/zinc/33/98/44/169339844.db2.gz	UFHCSYLRPOGDBW-UHFFFAOYSA-N	-2	0	184.151	0.056	50	0		ACAARL
O=C([O-])CCn1cc(C(=O)[O-])cn1	12396544	169340286	/nfs/dbraw/zinc/34/02/86/169340286.db2.gz	VHOXGMPTXFOFPC-UHFFFAOYSA-N	-2	0	184.151	0.056	50	0		ACAARL
O=C([O-])COc1ccccc1C(=O)[O-]	157008	169341768	/nfs/dbraw/zinc/34/17/68/169341768.db2.gz	JLLXSRLEXBECPY-UHFFFAOYSA-N	-2	0	196.158	0.848	50	0		ACAARL
O=C([O-])C[C@@H](C(=O)[O-])[C@H]1CCCO1	2077925	169341779	/nfs/dbraw/zinc/34/17/79/169341779.db2.gz	YPTJQLHSRLXMCY-PHDIDXHHSA-N	-2	0	188.179	0.341	50	0		ACAARL
O=C([O-])COc1ccc(C(=O)[O-])cc1	156005	169342152	/nfs/dbraw/zinc/34/21/52/169342152.db2.gz	LABJFIBQJFPXHZ-UHFFFAOYSA-N	-2	0	196.158	0.848	50	0	in-vitro	ACAARL
O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1CCCO1	35479	169342289	/nfs/dbraw/zinc/34/22/89/169342289.db2.gz	YPTJQLHSRLXMCY-RITPCOANSA-N	-2	0	188.179	0.341	50	0		ACAARL
O=C([O-])CSCSCC(=O)[O-]	1635711	169342341	/nfs/dbraw/zinc/34/23/41/169342341.db2.gz	CZEVAMMETWVBOD-UHFFFAOYSA-N	-2	0	196.249	0.580	50	0	in-vitro	ACAARL
O=C([O-])COc1cccnc1C(=O)[O-]	39090621	169342408	/nfs/dbraw/zinc/34/24/08/169342408.db2.gz	IKCORABULSSLIF-UHFFFAOYSA-N	-2	0	197.146	0.243	50	0		ACAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccco1	3881524	169342501	/nfs/dbraw/zinc/34/25/01/169342501.db2.gz	KVPVQYAXHHBVBF-RXMQYKEDSA-N	-2	0	184.147	0.923	50	0	in-vitro	ACAARL
O=C([O-])COc1cccc(C(=O)[O-])c1	39310628	169342506	/nfs/dbraw/zinc/34/25/06/169342506.db2.gz	GXFAJSDLPLCRIQ-UHFFFAOYSA-N	-2	0	196.158	0.848	50	0		ACAARL
O=C([O-])C[C@H](C(=O)[O-])[C@H]1CCCO1	35482	169342973	/nfs/dbraw/zinc/34/29/73/169342973.db2.gz	YPTJQLHSRLXMCY-NTSWFWBYSA-N	-2	0	188.179	0.341	50	0		ACAARL
O=C([O-])C[C@H](C(=O)[O-])[C@@H]1CCCO1	35481	169343251	/nfs/dbraw/zinc/34/32/51/169343251.db2.gz	YPTJQLHSRLXMCY-WDSKDSINSA-N	-2	0	188.179	0.341	50	0		ACAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccco1	3881525	169343388	/nfs/dbraw/zinc/34/33/88/169343388.db2.gz	KVPVQYAXHHBVBF-YFKPBYRVSA-N	-2	0	184.147	0.923	50	0	in-vitro	ACAARL
O=C([O-])Cc1cccnc1C(=O)[O-]	2558689	169343612	/nfs/dbraw/zinc/34/36/12/169343612.db2.gz	HQPMJFFEXJELOQ-UHFFFAOYSA-N	-2	0	181.147	0.407	50	0	in-vitro	ACAARL
O=C([O-])Cc1ccccc1CC(=O)[O-]	388203	169344191	/nfs/dbraw/zinc/34/41/91/169344191.db2.gz	MMEDJBFVJUFIDD-UHFFFAOYSA-N	-2	0	194.186	0.941	50	0	in-vitro	ACAARL
O=C([O-])Cc1cccc(CC(=O)[O-])c1	157058	169344421	/nfs/dbraw/zinc/34/44/21/169344421.db2.gz	GDYYIJNDPMFMTB-UHFFFAOYSA-N	-2	0	194.186	0.941	50	0	in-vitro	ACAARL
O=C([O-])Cc1occc1C(=O)[O-]	4759560	169344536	/nfs/dbraw/zinc/34/45/36/169344536.db2.gz	IQGUUYXXMXSWLP-UHFFFAOYSA-N	-2	0	170.120	0.605	50	0		ACAARL
O=C([O-])N1CCN(C([O-])=S)CC1	5562157	169345071	/nfs/dbraw/zinc/34/50/71/169345071.db2.gz	QVVWHURLUQWAEW-UHFFFAOYSA-N	-2	0	190.224	0.125	50	0		ACAARL
O=C([O-])Oc1cccnc1C(=O)[O-]	4473001	169345218	/nfs/dbraw/zinc/34/52/18/169345218.db2.gz	MCHOAPNJQOAGNY-UHFFFAOYSA-N	-2	0	183.119	0.837	50	0		ACAARL
O=C([O-])[C@@H]1C=CC=C[C@H]1C(=O)[O-]	4962652	169345816	/nfs/dbraw/zinc/34/58/16/169345816.db2.gz	OYUWHGGWLCJJNP-PHDIDXHHSA-N	-2	0	168.148	0.514	50	0	in-vitro	ACAARL
O=C([O-])[C@@H](F)C(F)(F)C(=O)[O-]	15442369	169346294	/nfs/dbraw/zinc/34/62/94/169346294.db2.gz	ONVXOMZCAAXUJR-PVQJCKRUSA-N	-2	0	172.058	0.129	50	0		ACAARL
O=C([O-])[C@@H]1CCC[C@@H](C(=O)[O-])C1	389832	169346908	/nfs/dbraw/zinc/34/69/08/169346908.db2.gz	XBZSBBLNHFMTEB-PHDIDXHHSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)[O-]	122702	169347173	/nfs/dbraw/zinc/34/71/73/169347173.db2.gz	QSAWQNUELGIYBC-PHDIDXHHSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)[O-]	397565	169347227	/nfs/dbraw/zinc/34/72/27/169347227.db2.gz	ILUAAIDVFMVTAU-PHDIDXHHSA-N	-2	0	170.164	0.738	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1CCC[C@H]1C(=O)[O-]	136656	169347295	/nfs/dbraw/zinc/34/72/95/169347295.db2.gz	ASJCSAKCMTWGAH-RFZPGFLSSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])C1	5134618	169348113	/nfs/dbraw/zinc/34/81/13/169348113.db2.gz	LNGJOYPCXLOTKL-RFZPGFLSSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])CC1	100020651	169348174	/nfs/dbraw/zinc/34/81/74/169348174.db2.gz	PXGZQGDTEZPERC-IZLXSQMJSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CC1	100003954	169348175	/nfs/dbraw/zinc/34/81/75/169348175.db2.gz	PXGZQGDTEZPERC-OLQVQODUSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1CC[C@H]1C(=O)[O-]	404805	169348200	/nfs/dbraw/zinc/34/82/00/169348200.db2.gz	SUSAGCZZQKACKE-QWWZWVQMSA-N	-2	0	144.126	0.182	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1C[C@H](C(=O)[O-])C1	100025373	169348914	/nfs/dbraw/zinc/34/89/14/169348914.db2.gz	WYHYNUWZLKTEEY-ZXZARUISSA-N	-2	0	144.126	0.182	50	0		ACAARL
O=C([O-])[C@@H]1C[C@]1(C(=O)[O-])C(F)(F)F	1774500	169349736	/nfs/dbraw/zinc/34/97/36/169349736.db2.gz	PKHUWUZQELPYRZ-VHUNDSFISA-N	-2	0	198.096	0.724	50	0		ACAARL
O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	100026616	169349794	/nfs/dbraw/zinc/34/97/94/169349794.db2.gz	WYHYNUWZLKTEEY-JPYJGEKTSA-N	-2	0	144.126	0.182	50	0		ACAARL
O=C([O-])[C@@H]1C[C@@]1(C(=O)[O-])C(F)(F)F	1774499	169349969	/nfs/dbraw/zinc/34/99/69/169349969.db2.gz	PKHUWUZQELPYRZ-JLAZNSOCSA-N	-2	0	198.096	0.724	50	0		ACAARL
O=C([O-])[C@H](F)C(F)(F)C(=O)[O-]	15442370	169350880	/nfs/dbraw/zinc/35/08/80/169350880.db2.gz	ONVXOMZCAAXUJR-SFOWXEAESA-N	-2	0	172.058	0.129	50	0		ACAARL
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)[O-]	4015306	169351473	/nfs/dbraw/zinc/35/14/73/169351473.db2.gz	ILUAAIDVFMVTAU-OLQVQODUSA-N	-2	0	170.164	0.738	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCC[C@H]1C(=O)[O-]	136659	169351603	/nfs/dbraw/zinc/35/16/03/169351603.db2.gz	ASJCSAKCMTWGAH-SYDPRGILSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCC[C@H](C(=O)[O-])C1	389833	169351611	/nfs/dbraw/zinc/35/16/11/169351611.db2.gz	XBZSBBLNHFMTEB-WDSKDSINSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)[O-]	397566	169351688	/nfs/dbraw/zinc/35/16/88/169351688.db2.gz	ILUAAIDVFMVTAU-WDSKDSINSA-N	-2	0	170.164	0.738	50	0		ACAARL
O=C([O-])[C@H]1C=CC=C[C@H]1C(=O)[O-]	1718079	169351732	/nfs/dbraw/zinc/35/17/32/169351732.db2.gz	OYUWHGGWLCJJNP-OLQVQODUSA-N	-2	0	168.148	0.514	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCC[C@@H]1C(=O)[O-]	136657	169351892	/nfs/dbraw/zinc/35/18/92/169351892.db2.gz	ASJCSAKCMTWGAH-WHFBIAKZSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCCC[C@H]1C(=O)[O-]	122700	169351908	/nfs/dbraw/zinc/35/19/08/169351908.db2.gz	QSAWQNUELGIYBC-OLQVQODUSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCC[C@@H](C(=O)[O-])C1	389831	169351923	/nfs/dbraw/zinc/35/19/23/169351923.db2.gz	XBZSBBLNHFMTEB-OLQVQODUSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)[O-]	3861148	169352052	/nfs/dbraw/zinc/35/20/52/169352052.db2.gz	QSAWQNUELGIYBC-WDSKDSINSA-N	-2	0	172.180	0.962	50	0		ACAARL
O=C([O-])[C@H]1C=CC=C[C@@H]1C(=O)[O-]	4962653	169352072	/nfs/dbraw/zinc/35/20/72/169352072.db2.gz	OYUWHGGWLCJJNP-WDSKDSINSA-N	-2	0	168.148	0.514	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CC[C@H]1C(=O)[O-]	404804	169352555	/nfs/dbraw/zinc/35/25/55/169352555.db2.gz	SUSAGCZZQKACKE-ZXZARUISSA-N	-2	0	144.126	0.182	50	0		ACAARL
O=C([O-])[C@H]1CC[C@H](C(=O)[O-])C1	5134434	169352640	/nfs/dbraw/zinc/35/26/40/169352640.db2.gz	LNGJOYPCXLOTKL-WHFBIAKZSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1CC[C@@H]1C(=O)[O-]	404806	169352668	/nfs/dbraw/zinc/35/26/68/169352668.db2.gz	SUSAGCZZQKACKE-IMJSIDKUSA-N	-2	0	144.126	0.182	50	0		ACAARL
O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])C1	4801871	169352765	/nfs/dbraw/zinc/35/27/65/169352765.db2.gz	LNGJOYPCXLOTKL-SYDPRGILSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1C[C@]1(C(=O)[O-])C(F)(F)F	1774502	169354245	/nfs/dbraw/zinc/35/42/45/169354245.db2.gz	PKHUWUZQELPYRZ-MVHIGOERSA-N	-2	0	198.096	0.724	50	0		ACAARL
O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])C(F)(F)F	1774501	169354749	/nfs/dbraw/zinc/35/47/49/169354749.db2.gz	PKHUWUZQELPYRZ-DUZGATOHSA-N	-2	0	198.096	0.724	50	0		ACAARL
O=C([O-])c1cc(C(=O)[O-])c(O)cc1O	34604490	169355398	/nfs/dbraw/zinc/35/53/98/169355398.db2.gz	MZGVIIXFGJCRDR-UHFFFAOYSA-N	-2	0	198.130	0.494	50	0	in-vitro	ACAARL
O=C([O-])c1c[nH]cc1C(=O)[O-]	1618071	169355629	/nfs/dbraw/zinc/35/56/29/169355629.db2.gz	JFVDNCRMBALUKH-UHFFFAOYSA-N	-2	0	155.109	0.411	50	0	in-vitro	ACAARL
O=C([O-])c1cc(=O)cc(C(=O)[O-])o1	125011	169355753	/nfs/dbraw/zinc/35/57/53/169355753.db2.gz	PBAYDYUZOSNJGU-UHFFFAOYSA-N	-2	0	184.103	0.036	50	0	in-vitro,metabolite	ACAARL
O=C([O-])c1c(O)ccc(O)c1C(=O)[O-]	4829199	169355812	/nfs/dbraw/zinc/35/58/12/169355812.db2.gz	UDKMUSGWGWZJBZ-UHFFFAOYSA-N	-2	0	198.130	0.494	50	0		ACAARL
O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])[nH]1	6091047	169355896	/nfs/dbraw/zinc/35/58/96/169355896.db2.gz	UGSAVTSXHXRENH-UHFFFAOYSA-N	-3	0	199.118	0.109	50	0	in-vitro	ACAARL
O=C([O-])c1cc([O-])c2n[nH]nc2c1	91301944	169356378	/nfs/dbraw/zinc/35/63/78/169356378.db2.gz	AICBDEMSWFCSTO-UHFFFAOYSA-N	-2	0	179.135	0.362	50	0		ACAARL
O=C([O-])c1cc(F)cnc1C(=O)[O-]	34583208	169356517	/nfs/dbraw/zinc/35/65/17/169356517.db2.gz	PYSLFGOXLSPBSX-UHFFFAOYSA-N	-2	0	185.110	0.617	50	0		ACAARL
O=C([O-])c1cc([O-])cc(=O)o1	75542351	169356555	/nfs/dbraw/zinc/35/65/55/169356555.db2.gz	ROYXNGISVJUBSJ-UHFFFAOYSA-N	-2	0	156.093	0.044	50	0	in-vitro	ACAARL
O=C([O-])c1cc(O)c(C(=O)[O-])cc1O	337612	169356715	/nfs/dbraw/zinc/35/67/15/169356715.db2.gz	OYFRNYNHAZOYNF-UHFFFAOYSA-N	-2	0	198.130	0.494	50	0	in-vitro	ACAARL
O=C([O-])c1cc(O)cc(C(=O)[O-])c1	409374	169357031	/nfs/dbraw/zinc/35/70/31/169357031.db2.gz	QNVNLUSHGRBCLO-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	biogenic,in-vitro	ACAARL
O=C([O-])c1ccc(C(=O)[O-])[nH]1	14684355	169357238	/nfs/dbraw/zinc/35/72/38/169357238.db2.gz	JLUIOEOHOOLSJC-UHFFFAOYSA-N	-2	0	155.109	0.411	50	0	biogenic,in-vitro	ACAARL
O=C([O-])c1ccc(C(=O)[O-])c(O)c1	1701209	169357383	/nfs/dbraw/zinc/35/73/83/169357383.db2.gz	CDOWNLMZVKJRSC-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	in-vitro	ACAARL
O=C([O-])c1ccc(C(=O)[O-])nc1	5284	169357481	/nfs/dbraw/zinc/35/74/81/169357481.db2.gz	LVPMIMZXDYBCDF-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	in-vitro	ACAARL
O=C([O-])c1cc[nH]c1C(=O)[O-]	6091589	169357953	/nfs/dbraw/zinc/35/79/53/169357953.db2.gz	OEUSNWDYXDEXDR-UHFFFAOYSA-N	-2	0	155.109	0.411	50	0	in-vitro	ACAARL
O=C([O-])c1ccc(O)cc1C(=O)[O-]	226728	169358319	/nfs/dbraw/zinc/35/83/19/169358319.db2.gz	MWRVRCAFWBBXTL-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	in-vitro	ACAARL
O=C([O-])c1ccc(S(=O)(=O)[O-])o1	1679993	169358509	/nfs/dbraw/zinc/35/85/09/169358509.db2.gz	GZXIBGIUGORTLA-UHFFFAOYSA-N	-2	0	192.148	0.225	50	0		ACAARL
O=C([O-])c1ccc(O)c(C(=O)[O-])c1	409242	169358516	/nfs/dbraw/zinc/35/85/16/169358516.db2.gz	BCEQKAQCUWUNML-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	biogenic,in-vitro	ACAARL
O=C([O-])c1cccc([S@@](=O)[O-])c1	96332235	169358622	/nfs/dbraw/zinc/35/86/22/169358622.db2.gz	UZEGQEQFRRYLRK-UHFFFAOYSA-N	-2	0	186.188	0.965	50	0		ACAARL
O=C([O-])c1cccc(O)c1C(=O)[O-]	1640901	169358675	/nfs/dbraw/zinc/35/86/75/169358675.db2.gz	MNUOZFHYBCRUOD-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	in-vitro	ACAARL
O=C([O-])c1cccc([C@H](O)C(=O)[O-])c1	76163388	169358771	/nfs/dbraw/zinc/35/87/71/169358771.db2.gz	GWFJBWGZYJEJRS-ZETCQYMHSA-N	-2	0	196.158	0.503	50	0		ACAARL
O=C([O-])c1cccc([C@@H](O)C(=O)[O-])c1	76163389	169358824	/nfs/dbraw/zinc/35/88/24/169358824.db2.gz	GWFJBWGZYJEJRS-SSDOTTSWSA-N	-2	0	196.158	0.503	50	0		ACAARL
O=C([O-])c1ccncc1C(=O)[O-]	105344	169359456	/nfs/dbraw/zinc/35/94/56/169359456.db2.gz	MUYSADWCWFFZKR-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	in-vitro	ACAARL
O=C([O-])c1cnc(C2CC2)[nH]c1=O	40162968	169359572	/nfs/dbraw/zinc/35/95/72/169359572.db2.gz	MXHHAGWGXAVVGK-UHFFFAOYSA-N	-2	0	180.163	0.346	50	0	in-vitro	ACAARL
O=C([O-])c1ccoc1C(=O)[O-]	335250	169359807	/nfs/dbraw/zinc/35/98/07/169359807.db2.gz	DNXDYHALMANNEJ-UHFFFAOYSA-N	-2	0	156.093	0.676	50	0	in-vitro	ACAARL
O=C([O-])c1cncc(C(=O)[O-])c1	35806	169360169	/nfs/dbraw/zinc/36/01/69/169360169.db2.gz	MPFLRYZEEAQMLQ-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	in-vitro	ACAARL
O=C([O-])c1cocc1C(=O)[O-]	4759600	169360521	/nfs/dbraw/zinc/36/05/21/169360521.db2.gz	SYLAFCZSYRXBJF-UHFFFAOYSA-N	-2	0	156.093	0.676	50	0	in-vitro	ACAARL
O=C([O-])c1coc(C(=O)[O-])c1	15219937	169360597	/nfs/dbraw/zinc/36/05/97/169360597.db2.gz	JOTDFEIYNHTJHZ-UHFFFAOYSA-N	-2	0	156.093	0.676	50	0	in-vitro	ACAARL
O=C([O-])c1cnsc1C(=O)[O-]	19801460	169360811	/nfs/dbraw/zinc/36/08/11/169360811.db2.gz	OUXPIMUWLUOQEU-UHFFFAOYSA-N	-2	0	173.149	0.540	50	0		ACAARL
O=C([O-])c1csc2c(=O)nc[n-]c12	91692477	169361056	/nfs/dbraw/zinc/36/10/56/169361056.db2.gz	NEKNKGJIFDPCPB-UHFFFAOYSA-N	-2	0	196.187	0.683	50	0	in-vitro	ACAARL
O=C([O-])c1nn2c(c1C(=O)[O-])CCC2	98212402	169361225	/nfs/dbraw/zinc/36/12/25/169361225.db2.gz	MNTIHILOJVHHDY-UHFFFAOYSA-N	-2	0	196.162	0.226	50	0		ACAARL
O=C1CC2(C1)CC(C(=O)[O-])(C(=O)[O-])C2	26441825	169368848	/nfs/dbraw/zinc/36/88/48/169368848.db2.gz	DQCDFXIUPJNZGB-UHFFFAOYSA-N	-2	0	198.174	0.285	50	0		ACAARL
O=C1CCC(C(=O)[O-])(C(=O)[O-])CC1	39426303	169369281	/nfs/dbraw/zinc/36/92/81/169369281.db2.gz	NHOAIPRHGSAFDL-UHFFFAOYSA-N	-2	0	186.163	0.285	50	0		ACAARL
O=S1(=O)NC=C([O-])c2ccccc21	15669440	169379005	/nfs/dbraw/zinc/37/90/05/169379005.db2.gz	OBGYOMBTRPHWPP-UHFFFAOYSA-N	-2	0	197.215	0.161	50	0		ACAARL
O=CNc1cc(C(=O)[O-])ccc1O	72283940	169399304	/nfs/dbraw/zinc/39/93/04/169399304.db2.gz	OGVQNMUUNMMAMS-UHFFFAOYSA-N	-2	0	181.147	0.659	50	0		ACAARL
O=C([O-])c1ccnc(C(=O)[O-])c1	391915	170994778	/nfs/dbraw/zinc/99/47/78/170994778.db2.gz	MJIVRKPEXXHNJT-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	in-vivo	ACAARL
O=C([O-])C1(C(=O)[O-])CC=CC1	1709940	171001610	/nfs/dbraw/zinc/00/16/10/171001610.db2.gz	GSACUPQMFWTTOU-UHFFFAOYSA-N	-2	0	156.137	0.492	50	0	in-vitro	ACAARL
O=C([O-])C/C=C/CC(=O)[O-]	1736714	171002204	/nfs/dbraw/zinc/00/22/04/171002204.db2.gz	YHGNXQAFNHCBTK-OWOJBTEDSA-N	-2	0	144.126	0.492	50	0	endogenous,in-man	ACAARL
O=C([O-])CCC(=O)CCC(=O)[O-]	1747135	171002362	/nfs/dbraw/zinc/00/23/62/171002362.db2.gz	UDDSEESQRGPVIL-UHFFFAOYSA-N	-2	0	174.152	0.285	50	0	in-vitro	ACAARL
O=C([O-])CC(F)(F)C(=O)[O-]	1845847	171002718	/nfs/dbraw/zinc/00/27/18/171002718.db2.gz	ZYLFHISLYSHWRH-UHFFFAOYSA-N	-2	0	154.068	0.181	50	0	in-vitro	ACAARL
O=C([O-])C(=O)c1ccccc1C(=O)[O-]	2034904	171004241	/nfs/dbraw/zinc/00/42/41/171004241.db2.gz	LFLOMAIEONDOLV-UHFFFAOYSA-N	-2	0	194.142	0.652	50	0	biogenic,in-vitro	ACAARL
O=C([O-])C(CC1CC1)C(=O)[O-]	2505327	171005594	/nfs/dbraw/zinc/00/55/94/171005594.db2.gz	NORXNBYHOOVBLX-UHFFFAOYSA-N	-2	0	158.153	0.572	50	0	in-vitro	ACAARL
O=C([O-])CC(F)(F)CC(=O)[O-]	3227121	171009222	/nfs/dbraw/zinc/00/92/22/171009222.db2.gz	DJEGOLDQLZCAOL-UHFFFAOYSA-N	-2	0	168.095	0.571	50	0		ACAARL
O=P1([O-])CCC[P@@](=O)([O-])C1	3165043	171009271	/nfs/dbraw/zinc/00/92/71/171009271.db2.gz	MFWZNLBMGFWZQY-UHFFFAOYSA-N	-2	0	184.068	0.888	50	0		ACAARL
O=C([O-])c1ccc2nnn([O-])c2c1	3308067	171009731	/nfs/dbraw/zinc/00/97/31/171009731.db2.gz	CQLAMJKGAKHIOC-UHFFFAOYSA-N	-2	0	179.135	0.367	50	0	in-vitro	ACAARL
O=C([O-])C[P@@](=O)([O-])C(=O)[O-]	4091440	171011384	/nfs/dbraw/zinc/01/13/84/171011384.db2.gz	MNQQKOLUVPQJGA-UHFFFAOYSA-N	-3	0	168.041	0.019	50	0		ACAARL
O=C([O-])c1ccccc1[S@@](=O)[O-]	4566297	171013874	/nfs/dbraw/zinc/01/38/74/171013874.db2.gz	KRSZKHITONYRDD-UHFFFAOYSA-N	-2	0	186.188	0.965	50	0		ACAARL
CC1(C)[C@H](C(=O)[O-])C[C@H]1C(=O)[O-]	4759984	171014253	/nfs/dbraw/zinc/01/42/53/171014253.db2.gz	KLGKVMMWRDYKJM-WHFBIAKZSA-N	-2	0	172.180	0.818	50	0		ACAARL
O=C([O-])C[C@H]1C[C@@H]1CC(=O)[O-]	5224798	171016311	/nfs/dbraw/zinc/01/63/11/171016311.db2.gz	JSRDBEGXQDOKHA-RFZPGFLSSA-N	-2	0	158.153	0.572	50	0		ACAARL
O=C([O-])C[C@@H]1C[C@H]1CC(=O)[O-]	5224855	171016408	/nfs/dbraw/zinc/01/64/08/171016408.db2.gz	JSRDBEGXQDOKHA-WHFBIAKZSA-N	-2	0	158.153	0.572	50	0		ACAARL
O=C([O-])C[C@@H]1C[C@@H]1CC(=O)[O-]	5224771	171016454	/nfs/dbraw/zinc/01/64/54/171016454.db2.gz	JSRDBEGXQDOKHA-SYDPRGILSA-N	-2	0	158.153	0.572	50	0		ACAARL
O=C([O-])C(Nc1ccccc1)C(=O)[O-]	5800069	171018221	/nfs/dbraw/zinc/01/82/21/171018221.db2.gz	JYJYVGOIXPFHNB-UHFFFAOYSA-N	-2	0	195.174	0.636	50	0		ACAARL
O=C([O-])C(C(=O)[O-])c1ccccc1	8465797	171020978	/nfs/dbraw/zinc/02/09/78/171020978.db2.gz	WWYDYZMNFQIYPT-UHFFFAOYSA-N	-2	0	180.159	0.939	50	0	in-vivo	ACAARL
O=C([O-])C/C=C\CC(=O)[O-]	7996174	171021031	/nfs/dbraw/zinc/02/10/31/171021031.db2.gz	YHGNXQAFNHCBTK-UPHRSURJSA-N	-2	0	144.126	0.492	50	0	in-vitro	ACAARL
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)[O-]	8575764	171021097	/nfs/dbraw/zinc/02/10/97/171021097.db2.gz	NIDNOXCRFUCAKQ-XZBKPIIZSA-N	-2	0	182.175	0.594	50	0		ACAARL
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-]	11535934	171023483	/nfs/dbraw/zinc/02/34/83/171023483.db2.gz	NIDNOXCRFUCAKQ-UMRXKNAASA-N	-2	0	182.175	0.594	50	0		ACAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)[O-]	11535935	171023931	/nfs/dbraw/zinc/02/39/31/171023931.db2.gz	NIDNOXCRFUCAKQ-RNGGSSJXSA-N	-2	0	182.175	0.594	50	0		ACAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	11535714	171024159	/nfs/dbraw/zinc/02/41/59/171024159.db2.gz	NIDNOXCRFUCAKQ-VZFHVOOUSA-N	-2	0	182.175	0.594	50	0		ACAARL
O=C([O-])Cc1ccc(CC(=O)[O-])cc1	12358784	171025881	/nfs/dbraw/zinc/02/58/81/171025881.db2.gz	SLWIPPZWFZGHEU-UHFFFAOYSA-N	-2	0	194.186	0.941	50	0	in-vitro	ACAARL
O=C([O-])C(=O)C=C([O-])c1ccccc1	12375863	171025919	/nfs/dbraw/zinc/02/59/19/171025919.db2.gz	JGKFWCXVYCDKDU-UHFFFAOYSA-N	-2	0	192.170	0.913	50	0	in-vitro	ACAARL
O=C([O-])CCC(F)(F)C(=O)[O-]	17550753	171031995	/nfs/dbraw/zinc/03/19/95/171031995.db2.gz	PIVAHSCRTJPWJU-UHFFFAOYSA-N	-2	0	168.095	0.571	50	0	in-vitro	ACAARL
O=C([O-])C(=O)C=C([O-])c1ccncc1	19850341	171035982	/nfs/dbraw/zinc/03/59/82/171035982.db2.gz	ROQQLNHLFCKPOQ-UHFFFAOYSA-N	-2	0	193.158	0.308	50	0		ACAARL
O=C([O-])C(=O)C=C([O-])c1ccco1	19850352	171036041	/nfs/dbraw/zinc/03/60/41/171036041.db2.gz	DQHQTWRAARLYCW-UHFFFAOYSA-N	-2	0	182.131	0.506	50	0		ACAARL
O=C([O-])C(=O)C=C([O-])c1cccnc1	19850344	171036244	/nfs/dbraw/zinc/03/62/44/171036244.db2.gz	PISWNSJFMUGNKU-UHFFFAOYSA-N	-2	0	193.158	0.308	50	0		ACAARL
O=C([O-])c1ccn2c1[C@H](C(=O)[O-])CC2	21299889	171040596	/nfs/dbraw/zinc/04/05/96/171040596.db2.gz	YVNBPFCIKDDTSM-ZCFIWIBFSA-N	-2	0	195.174	0.758	50	0		ACAARL
O=C([O-])c1ccn2c1[C@@H](C(=O)[O-])CC2	21299893	171040774	/nfs/dbraw/zinc/04/07/74/171040774.db2.gz	YVNBPFCIKDDTSM-LURJTMIESA-N	-2	0	195.174	0.758	50	0		ACAARL
O=C([O-])C(C(=O)[O-])C1CC1	23827495	171043484	/nfs/dbraw/zinc/04/34/84/171043484.db2.gz	YLYNCIPMSVNJBO-UHFFFAOYSA-N	-2	0	144.126	0.182	50	0		ACAARL
O=C([O-])c1cccc2[nH][nH]c(=O)c12	31717227	171048653	/nfs/dbraw/zinc/04/86/53/171048653.db2.gz	BUCGZRNYKPSWMC-UHFFFAOYSA-N	-2	0	178.147	0.967	50	0	in-vitro	ACAARL
O=C([O-])CC1(C(=O)[O-])CCOCC1	33358824	171050474	/nfs/dbraw/zinc/05/04/74/171050474.db2.gz	LYIVWMHCWUWESC-UHFFFAOYSA-N	-2	0	188.179	0.343	50	0	in-vitro	ACAARL
O=C([O-])C(=O)C=C([O-])c1cccs1	38804712	171070902	/nfs/dbraw/zinc/07/09/02/171070902.db2.gz	MWRKICQKTVHQBI-UHFFFAOYSA-N	-2	0	198.199	0.975	50	0		ACAARL
[O-]C(=S)COCC([O-])=S	83411159	171130858	/nfs/dbraw/zinc/13/08/58/171130858.db2.gz	XPRMLSQMZDFCCC-UHFFFAOYSA-N	-2	0	166.223	0.774	50	0		ACAARL
O=C([O-])[C@H]1[C@H]2C=C[C@H]2[C@H]1C(=O)[O-]	45070227	171152582	/nfs/dbraw/zinc/15/25/82/171152582.db2.gz	COOXWMGUZWYMSO-FBXFSONDSA-N	-2	0	168.148	0.204	50	0		ACAARL
O=C([O-])[C@@H]1[C@H]2C=C[C@H]2[C@H]1C(=O)[O-]	247352969	171158893	/nfs/dbraw/zinc/15/88/93/171158893.db2.gz	COOXWMGUZWYMSO-JGWLITMVSA-N	-2	0	168.148	0.204	50	0		ACAARL
O=C([O-])C(=O)C=C([O-])c1ccsc1	13674023	171166906	/nfs/dbraw/zinc/16/69/06/171166906.db2.gz	XGDKWSCYRNCHSE-UHFFFAOYSA-N	-2	0	198.199	0.975	50	0		ACAARL
O=C([O-])c1nc2n(c1C(=O)[O-])CCC2	82386097	171168891	/nfs/dbraw/zinc/16/88/91/171168891.db2.gz	DEQCEHQJPHEBJA-UHFFFAOYSA-N	-2	0	196.162	0.226	50	0		ACAARL
COc1ccccc1P(=O)([O-])[O-]	1600105	171173301	/nfs/dbraw/zinc/17/33/01/171173301.db2.gz	QDBZWLAQPHAUGV-UHFFFAOYSA-N	-2	0	188.119	0.498	50	0		ACAARL
O=C([O-])C(=O)c1ccc(O)cc1	1529704	171187965	/nfs/dbraw/zinc/18/79/65/171187965.db2.gz	KXFJZKUFXHWWAJ-UHFFFAOYSA-N	-2	0	166.132	0.660	50	0	in-vitro	ACAARL
O=C([O-])Cc1c[nH]c(=S)[nH]c1=O	20156318	171188090	/nfs/dbraw/zinc/18/80/90/171188090.db2.gz	ZAJCWIFLJSMGCC-UHFFFAOYSA-N	-2	0	186.192	0.060	50	0		ACAARL
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	1643379	171197189	/nfs/dbraw/zinc/19/71/89/171197189.db2.gz	MSPJNHHBNOLHOC-IMJSIDKUSA-N	-2	0	158.153	0.428	50	0		ACAARL
O=C([O-])c1cccc(C(=O)[O-])n1	105246	171206738	/nfs/dbraw/zinc/20/67/38/171206738.db2.gz	WJJMNDUMQPNECX-UHFFFAOYSA-N	-2	0	167.120	0.478	50	0	endogenous,world	ACAARL
O=C([O-])CNc1ccccc1C(=O)[O-]	50907	171215015	/nfs/dbraw/zinc/21/50/15/171215015.db2.gz	PJUXPMVQAZLJEX-UHFFFAOYSA-N	-2	0	195.174	0.881	50	0	in-vitro	ACAARL
C[C@H]1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	238853739	344823723	/nfs/dbraw/zinc/82/37/23/344823723.db2.gz	KPNLIOQRPMSQNQ-STNDOWJSSA-N	-2	0	172.180	0.818	50	0		ACAARL
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)[O-]	3136875	204019693	/nfs/dbraw/zinc/01/96/93/204019693.db2.gz	FUBZERMWPMTSEB-KVFPUHGPSA-N	-2	0	196.202	0.984	50	0		ACAARL
O=C([O-])[C@H]1[C@H](C(=O)[O-])C1(Cl)Cl	3121383	204019774	/nfs/dbraw/zinc/01/97/74/204019774.db2.gz	RPCDSJZGXPPDGQ-JCYAYHJZSA-N	-2	0	198.989	0.576	50	0		ACAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@H]1C(=O)[O-]	3136878	204019871	/nfs/dbraw/zinc/01/98/71/204019871.db2.gz	FUBZERMWPMTSEB-SOSBWXJGSA-N	-2	0	196.202	0.984	50	0		ACAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C1(Cl)Cl	3121384	204019876	/nfs/dbraw/zinc/01/98/76/204019876.db2.gz	RPCDSJZGXPPDGQ-XIXRPRMCSA-N	-2	0	198.989	0.576	50	0		ACAARL
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])C1(Cl)Cl	3121385	204019889	/nfs/dbraw/zinc/01/98/89/204019889.db2.gz	RPCDSJZGXPPDGQ-LWMBPPNESA-N	-2	0	198.989	0.576	50	0		ACAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-]	3136877	204019922	/nfs/dbraw/zinc/01/99/22/204019922.db2.gz	FUBZERMWPMTSEB-YWIQKCBGSA-N	-2	0	196.202	0.984	50	0		ACAARL
COC1C([O-])=NC(=S)N=C1[O-]	198740795	351779097	/nfs/dbraw/zinc/77/90/97/351779097.db2.gz	RMKWXURHNBGCDS-UHFFFAOYSA-N	-2	0	174.181	0.147	50	0		ACAARL
CCn1nc(C(=O)[O-])cc1C(=O)[O-]	142284651	229147491	/nfs/dbraw/zinc/14/74/91/229147491.db2.gz	BWQQOEKKEZSEGO-UHFFFAOYSA-N	-2	0	184.151	0.299	50	0		ACAARL
O=C([O-])C(C(=O)[O-])[C@H]1C=CCC1	31223	342924216	/nfs/dbraw/zinc/92/42/16/342924216.db2.gz	SHRHINXZYCBOBA-YFKPBYRVSA-N	-2	0	170.164	0.738	50	0		ACAARL
O=C([O-])C(C(=O)[O-])[C@@H]1C=CCC1	31224	342924235	/nfs/dbraw/zinc/92/42/35/342924235.db2.gz	SHRHINXZYCBOBA-RXMQYKEDSA-N	-2	0	170.164	0.738	50	0		ACAARL
Nc1c(C(=O)[O-])cccc1C(=O)[O-]	153908	342928671	/nfs/dbraw/zinc/92/86/71/342928671.db2.gz	LDOMKUVUXZRECL-UHFFFAOYSA-N	-2	0	181.147	0.665	50	0	in-vitro	ACAARL
CC(CC(=O)[O-])CC(=O)[O-]	167136	342930816	/nfs/dbraw/zinc/93/08/16/342930816.db2.gz	XJMMNTGIMDZPMU-UHFFFAOYSA-N	-2	0	146.142	0.572	50	0	endogenous,in-man	ACAARL
O=C([O-])CNc1ccc(C(=O)[O-])cc1	230715	342932083	/nfs/dbraw/zinc/93/20/83/342932083.db2.gz	YJEYSNOXMPDLJC-UHFFFAOYSA-N	-2	0	195.174	0.881	50	0	in-vitro	ACAARL
C[C@H](CCC(=O)[O-])C(=O)[O-]	388194	342935729	/nfs/dbraw/zinc/93/57/29/342935729.db2.gz	AQYCMVICBNBXNA-SCSAIBSYSA-N	-2	0	146.142	0.572	50	0	endogenous,in-man	ACAARL
CCC(C(=O)[O-])C(=O)[O-]	388046	342935743	/nfs/dbraw/zinc/93/57/43/342935743.db2.gz	UKFXDFUAPNAMPJ-UHFFFAOYSA-N	-2	0	132.115	0.182	50	0	endogenous,in-man	ACAARL
C[C@H](C(=O)[O-])[C@H](C)C(=O)[O-]	388422	342935930	/nfs/dbraw/zinc/93/59/30/342935930.db2.gz	KLZYRCVPDWTZLH-IMJSIDKUSA-N	-2	0	146.142	0.428	50	0	in-vitro	ACAARL
C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-]	388420	342936069	/nfs/dbraw/zinc/93/60/69/342936069.db2.gz	KLZYRCVPDWTZLH-ZXZARUISSA-N	-2	0	146.142	0.428	50	0	in-vitro	ACAARL
C[C@H](C[C@@H](C)C(=O)[O-])C(=O)[O-]	401412	342938210	/nfs/dbraw/zinc/93/82/10/342938210.db2.gz	VIWYMIDWAOZEAZ-RFZPGFLSSA-N	-2	0	160.169	0.818	50	0		ACAARL
O=C([O-])C1(C(=O)[O-])CCC1	404340	342938470	/nfs/dbraw/zinc/93/84/70/342938470.db2.gz	CCQPAEQGAVNNIA-UHFFFAOYSA-N	-2	0	144.126	0.326	50	0	investigational	ACAARL
CCC(CC)(C(=O)[O-])C(=O)[O-]	407093	342938784	/nfs/dbraw/zinc/93/87/84/342938784.db2.gz	LTMRRSWNXVJMBA-UHFFFAOYSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
Cc1ncc(C(=O)[O-])c(C(=O)[O-])c1O	902118	342941945	/nfs/dbraw/zinc/94/19/45/342941945.db2.gz	LVJJEIJOKPHQOU-UHFFFAOYSA-N	-2	0	197.146	0.492	50	0	endogenous,in-man	ACAARL
C[C@@]1(CC(=O)[O-])SC(=O)[N-]C1=O	1255066	342943978	/nfs/dbraw/zinc/94/39/78/342943978.db2.gz	CPSUMNMDBDCKMX-LURJTMIESA-N	-2	0	189.192	0.203	50	0		ACAARL
O=C([O-])c1cccc(C(=O)[O-])c1O	1556948	342947077	/nfs/dbraw/zinc/94/70/77/342947077.db2.gz	WVDGHGISNBRCAO-UHFFFAOYSA-N	-2	0	182.131	0.789	50	0	in-vitro	ACAARL
Cc1ccc(N)c(P(=O)([O-])[O-])c1	1561716	342947270	/nfs/dbraw/zinc/94/72/70/342947270.db2.gz	WFEPUKFABWDABK-UHFFFAOYSA-N	-2	0	187.135	0.380	50	0		ACAARL
CCC(C)(C(=O)[O-])C(=O)[O-]	1587896	342949614	/nfs/dbraw/zinc/94/96/14/342949614.db2.gz	OGAFKQWRXQJXJD-UHFFFAOYSA-N	-2	0	146.142	0.572	50	0		ACAARL
C[C@H](CCC(=O)[O-])CC(=O)[O-]	1589760	342949857	/nfs/dbraw/zinc/94/98/57/342949857.db2.gz	SYEOWUNSTUDKGM-RXMQYKEDSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
Cc1ccc(P(=O)([O-])[O-])cc1	1600104	342950785	/nfs/dbraw/zinc/95/07/85/342950785.db2.gz	LYNDWSARZJHIKU-UHFFFAOYSA-N	-2	0	172.120	0.798	50	0		ACAARL
O=C([O-])CC(CC(=O)[O-])CC(=O)[O-]	1608597	342952066	/nfs/dbraw/zinc/95/20/66/342952066.db2.gz	XYKQMCAWQYSNKA-UHFFFAOYSA-N	-3	0	190.151	0.027	50	0	in-vitro	ACAARL
C[C@H](CC(=O)[O-])[C@@H](C)C(=O)[O-]	1620985	342952693	/nfs/dbraw/zinc/95/26/93/342952693.db2.gz	LQNGULJVMSGMOE-RFZPGFLSSA-N	-2	0	160.169	0.818	50	0	in-vitro	ACAARL
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	1643377	342954009	/nfs/dbraw/zinc/95/40/09/342954009.db2.gz	MSPJNHHBNOLHOC-ZXZARUISSA-N	-2	0	158.153	0.428	50	0		ACAARL
O=C([O-])C(C(=O)[O-])C1CCCC1	1646380	342954221	/nfs/dbraw/zinc/95/42/21/342954221.db2.gz	DRHLPIHNSBNMFF-UHFFFAOYSA-N	-2	0	172.180	0.962	50	0	in-vitro	ACAARL
O=C([O-])C(F)(F)C(F)(F)C(=O)[O-]	1666662	342955642	/nfs/dbraw/zinc/95/56/42/342955642.db2.gz	YUDUFRYTKFGQCL-UHFFFAOYSA-N	-2	0	190.048	0.426	50	0	in-vitro	ACAARL
CC[C@](C)(CC(=O)[O-])C(=O)[O-]	1670887	342956487	/nfs/dbraw/zinc/95/64/87/342956487.db2.gz	FDYJJKHDNNVUDR-SSDOTTSWSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
CCCCOP(=O)([O-])[O-]	1673626	342956848	/nfs/dbraw/zinc/95/68/48/342956848.db2.gz	BNMJSBUIDQYHIN-UHFFFAOYSA-N	-2	0	154.102	0.896	50	0	in-vitro	ACAARL
CC[C@@H](CC(=O)[O-])C(=O)[O-]	1845889	342964684	/nfs/dbraw/zinc/96/46/84/342964684.db2.gz	RVHOBHMAPRVOLO-BYPYZUCNSA-N	-2	0	146.142	0.572	50	0		ACAARL
O=Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1	2022137	342967050	/nfs/dbraw/zinc/96/70/50/342967050.db2.gz	PNODFDYINILVKZ-UHFFFAOYSA-N	-2	0	194.142	0.896	50	0		ACAARL
CCCC(C(=O)[O-])C(=O)[O-]	2034392	342967885	/nfs/dbraw/zinc/96/78/85/342967885.db2.gz	VQDJODAWOFNASI-UHFFFAOYSA-N	-2	0	146.142	0.572	50	0	in-vitro	ACAARL
C[C@H](C(=O)[O-])C(C)(C)C(=O)[O-]	2036243	342967913	/nfs/dbraw/zinc/96/79/13/342967913.db2.gz	KJDGGLOKWHMBOX-SCSAIBSYSA-N	-2	0	160.169	0.818	50	0		ACAARL
CC[C@@](C)(CC(=O)[O-])C(=O)[O-]	2043257	342969123	/nfs/dbraw/zinc/96/91/23/342969123.db2.gz	FDYJJKHDNNVUDR-ZETCQYMHSA-N	-2	0	160.169	0.962	50	0	in-vitro	ACAARL
CC[C@H](C(=O)[O-])[P@@](=O)([O-])O	2390191	342972273	/nfs/dbraw/zinc/97/22/73/342972273.db2.gz	PWSXRGRLZKVHLW-GSVOUGTGSA-N	-2	0	168.085	0.027	50	0		ACAARL
Cc1cnc(C(=O)[O-])c(C(=O)[O-])c1	2546118	342975671	/nfs/dbraw/zinc/97/56/71/342975671.db2.gz	JPIJMXOJEHMTPU-UHFFFAOYSA-N	-2	0	181.147	0.786	50	0		ACAARL
C[C@H](C(=O)[O-])[C@@H]1SC(=O)[N-]C1=O	3637789	342982952	/nfs/dbraw/zinc/98/29/52/342982952.db2.gz	KWHFVHRLIRLOLD-HRFVKAFMSA-N	-2	0	189.192	0.059	50	0		ACAARL
C[C@H](C(=O)[O-])[C@H]1SC(=O)[N-]C1=O	3637792	342983374	/nfs/dbraw/zinc/98/33/74/342983374.db2.gz	KWHFVHRLIRLOLD-STHAYSLISA-N	-2	0	189.192	0.059	50	0		ACAARL
CC(C)Cn1[n-]c(CC(=O)[O-])cc1=O	4206158	342988709	/nfs/dbraw/zinc/98/87/09/342988709.db2.gz	ZUHYFPMWZVPVHD-UHFFFAOYSA-N	-2	0	198.222	0.460	50	0	in-vitro	ACAARL
CC1(C)[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	4759982	342994840	/nfs/dbraw/zinc/99/48/40/342994840.db2.gz	KLGKVMMWRDYKJM-RFZPGFLSSA-N	-2	0	172.180	0.818	50	0		ACAARL
CCCC[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]	4764164	342994866	/nfs/dbraw/zinc/99/48/66/342994866.db2.gz	MQVBPERQKIUJRM-WDSKDSINSA-N	-2	0	190.195	0.323	50	0		ACAARL
CCCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	4764169	342994901	/nfs/dbraw/zinc/99/49/01/342994901.db2.gz	MQVBPERQKIUJRM-NTSWFWBYSA-N	-2	0	190.195	0.323	50	0		ACAARL
Cc1cc([O-])n(C)c(=O)c1C(=O)[O-]	4992743	342997824	/nfs/dbraw/zinc/99/78/24/342997824.db2.gz	KHDHZSMTYNPGPP-UHFFFAOYSA-N	-2	0	183.163	0.098	50	0		ACAARL
O=C([O-])CCCCCC(=O)C(=O)[O-]	5113008	342998803	/nfs/dbraw/zinc/99/88/03/342998803.db2.gz	HAGOOZVJLSSXGZ-UHFFFAOYSA-N	-2	0	188.179	0.675	50	0	in-vitro	ACAARL
CC1=C(C(=O)[O-])[C@@H](C(=O)[O-])CC1	5500424	343003829	/nfs/dbraw/zinc/00/38/29/343003829.db2.gz	PTMAUWQVVHTGHB-YFKPBYRVSA-N	-2	0	170.164	0.882	50	0		ACAARL
C[C@H]1CCC(C(=O)[O-])=C1C(=O)[O-]	5675830	343006305	/nfs/dbraw/zinc/00/63/05/343006305.db2.gz	OEVBZISGAKURFA-BYPYZUCNSA-N	-2	0	170.164	0.882	50	0		ACAARL
C[C@H]1C=CC[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	6130017	343012657	/nfs/dbraw/zinc/01/26/57/343012657.db2.gz	ZPRXNOLDOXHXIQ-XVMARJQXSA-N	-2	0	184.191	0.984	50	0		ACAARL
C[C@H](CCCC(=O)[O-])C(=O)[O-]	6662113	343016093	/nfs/dbraw/zinc/01/60/93/343016093.db2.gz	JZUMVFMLJGSMRF-RXMQYKEDSA-N	-2	0	160.169	0.962	50	0	in-man	ACAARL
Cc1cc([O-])[nH]c(=O)c1C(=O)[O-]	8648824	343019551	/nfs/dbraw/zinc/01/95/51/343019551.db2.gz	ZZNZFBULEPJXCW-UHFFFAOYSA-N	-2	0	169.136	0.087	50	0		ACAARL
C[C@H](C(=O)[O-])n1ccc(C(=O)[O-])n1	12357883	343028733	/nfs/dbraw/zinc/02/87/33/343028733.db2.gz	HJPUGIHRYIHCHE-SCSAIBSYSA-N	-2	0	184.151	0.227	50	0		ACAARL
CC[C@H](C(=O)[O-])n1ccc(C(=O)[O-])n1	12396899	343030227	/nfs/dbraw/zinc/03/02/27/343030227.db2.gz	VJGFJPMMQPBYTJ-ZCFIWIBFSA-N	-2	0	198.178	0.617	50	0	in-vitro	ACAARL
Cc1nc[nH]c(=O)c1CCC(=O)[O-]	12480211	343031541	/nfs/dbraw/zinc/03/15/41/343031541.db2.gz	XHMUCUBQVBBGNB-UHFFFAOYSA-N	-2	0	182.179	0.096	50	0		ACAARL
Cc1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	15886568	343043264	/nfs/dbraw/zinc/04/32/64/343043264.db2.gz	DCYCQZSHGUXYGP-UHFFFAOYSA-N	-2	0	170.124	0.115	50	0	in-vitro	ACAARL
Cc1ccn([C@H](CC(=O)[O-])C(=O)[O-])n1	19094001	343051632	/nfs/dbraw/zinc/05/16/32/343051632.db2.gz	XMOYXMGSBMYOFG-ZCFIWIBFSA-N	-2	0	198.178	0.292	50	0	in-vitro	ACAARL
C[P@@](=O)([O-])CCC(=O)[O-]	20123861	343067612	/nfs/dbraw/zinc/06/76/12/343067612.db2.gz	QXFUBAAEKCHBQY-UHFFFAOYSA-N	-2	0	152.086	0.361	50	0	in-vitro	ACAARL
CN(CC(=O)[O-])C(=S)[S-]	20219901	343069474	/nfs/dbraw/zinc/06/94/74/343069474.db2.gz	KEZYHIPQRGTUDU-UHFFFAOYSA-N	-2	0	165.239	0.218	50	0	biogenic	ACAARL
CCC(CC)(C(=O)[O-])C(=O)C(=O)[O-]	20231591	343070055	/nfs/dbraw/zinc/07/00/55/343070055.db2.gz	ROFDDOQLDAQFRA-UHFFFAOYSA-N	-2	0	188.179	0.531	50	0		ACAARL
CCCC(O)(CC(=O)[O-])CC(=O)[O-]	27654001	343091461	/nfs/dbraw/zinc/09/14/61/343091461.db2.gz	GGAWXSMRRDXBKS-UHFFFAOYSA-N	-2	0	190.195	0.467	50	0		ACAARL
Cc1cc2ncc(C(=O)[O-])c(=O)n2[n-]1	29865942	343092792	/nfs/dbraw/zinc/09/27/92/343092792.db2.gz	SFJGLPBGKDVSDB-UHFFFAOYSA-N	-2	0	193.162	0.029	50	0		ACAARL
CCn1cnc(C(=O)[O-])c1C(=O)[O-]	31425331	343093463	/nfs/dbraw/zinc/09/34/63/343093463.db2.gz	AALUVAMJOLDSJD-UHFFFAOYSA-N	-2	0	184.151	0.299	50	0		ACAARL
Cc1[nH]nc(C(=O)[O-])c1C(=O)[O-]	33836203	343107109	/nfs/dbraw/zinc/10/71/09/343107109.db2.gz	CGTRFYVYHNAOAB-UHFFFAOYSA-N	-2	0	170.124	0.115	50	0		ACAARL
O=C([O-])CC1(C(=O)[O-])CCC1	34144289	343111653	/nfs/dbraw/zinc/11/16/53/343111653.db2.gz	KUFAUKOOXXSLJL-UHFFFAOYSA-N	-2	0	158.153	0.716	50	0		ACAARL
O=C([O-])c1ccc([S@@](=O)[O-])cc1	34469681	343119813	/nfs/dbraw/zinc/11/98/13/343119813.db2.gz	NQDSVALAUVWDQL-UHFFFAOYSA-N	-2	0	186.188	0.965	50	0		ACAARL
CCc1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	38550857	343189472	/nfs/dbraw/zinc/18/94/72/343189472.db2.gz	UABYSXCDWOEBRI-UHFFFAOYSA-N	-2	0	184.151	0.369	50	0		ACAARL
CC(C)c1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	71774011	343557998	/nfs/dbraw/zinc/55/79/98/343557998.db2.gz	YCSKGHLYJDXIQO-UHFFFAOYSA-N	-2	0	198.178	0.930	50	0		ACAARL
CC1=C([O-])C(C(=O)[O-])N=N1	82164266	343595809	/nfs/dbraw/zinc/59/58/09/343595809.db2.gz	YKNCINPCYGMSKJ-UHFFFAOYSA-N	-2	0	142.114	0.122	50	0	in-vitro	ACAARL
CC1[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	82839624	343613394	/nfs/dbraw/zinc/61/33/94/343613394.db2.gz	CUXGPKYJOMGPCJ-QWWZWVQMSA-N	-2	0	144.126	0.038	50	0		ACAARL
CC1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	82839626	343613440	/nfs/dbraw/zinc/61/34/40/343613440.db2.gz	CUXGPKYJOMGPCJ-IMJSIDKUSA-N	-2	0	144.126	0.038	50	0		ACAARL
Cc1nc(C(=O)[O-])c(C)nc1C(=O)[O-]	83280895	343618110	/nfs/dbraw/zinc/61/81/10/343618110.db2.gz	FTVHHZKDJQVMCP-UHFFFAOYSA-N	-2	0	196.162	0.490	50	0		ACAARL
Cc1coc(CC(=O)[O-])c1C(=O)[O-]	84230610	343632682	/nfs/dbraw/zinc/63/26/82/343632682.db2.gz	WHRXGHXENVTYPE-UHFFFAOYSA-N	-2	0	184.147	0.913	50	0	in-vitro	ACAARL
CC1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	95883775	343689171	/nfs/dbraw/zinc/68/91/71/343689171.db2.gz	KPNLIOQRPMSQNQ-WDSKDSINSA-N	-2	0	172.180	0.818	50	0		ACAARL
CCn1[n-]c(C(=O)[O-])cc1=O	107326605	343749154	/nfs/dbraw/zinc/74/91/54/343749154.db2.gz	VXMHEQPAYUHOER-UHFFFAOYSA-N	-2	0	156.141	0.307	50	0		ACAARL
CC[C@H](O[C@@H](CC)C(=O)[O-])C(=O)[O-]	113845986	343760531	/nfs/dbraw/zinc/76/05/31/343760531.db2.gz	RUARALYJHUDLAX-WDSKDSINSA-N	-2	0	190.195	0.729	50	0		ACAARL
CC[C@@H](O[C@H](CC)C(=O)[O-])C(=O)[O-]	113845989	343760538	/nfs/dbraw/zinc/76/05/38/343760538.db2.gz	RUARALYJHUDLAX-PHDIDXHHSA-N	-2	0	190.195	0.729	50	0		ACAARL
Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1O	149050399	344061968	/nfs/dbraw/zinc/06/19/68/344061968.db2.gz	NRLAHLDJPVUAFP-UHFFFAOYSA-N	-2	0	197.146	0.371	50	0		ACAARL
Cc1nc(C(=O)[O-])c(C(=O)[O-])n1C	166178959	344275806	/nfs/dbraw/zinc/27/58/06/344275806.db2.gz	FYZUPKJUPDDKFI-UHFFFAOYSA-N	-2	0	184.151	0.125	50	0		ACAARL
CCn1cc(C(=O)[O-])c(C(=O)[O-])n1	216759302	344399266	/nfs/dbraw/zinc/39/92/66/344399266.db2.gz	ZTDDUTNCHYQGNE-UHFFFAOYSA-N	-2	0	184.151	0.299	50	0		ACAARL
CC(C)n1cc(C(=O)[O-])c(C(=O)[O-])n1	216759363	344399337	/nfs/dbraw/zinc/39/93/37/344399337.db2.gz	HNYGSSHLXMXAAU-UHFFFAOYSA-N	-2	0	198.178	0.860	50	0		ACAARL
C[C@]1(C(=O)[O-])C[C@@]12C[C@@]2(C)C(=O)[O-]	239125187	344824520	/nfs/dbraw/zinc/82/45/20/344824520.db2.gz	KBRFBMYJZWMKBM-HRDYMLBCSA-N	-2	0	184.191	0.962	50	0		ACAARL
O=C([O-])[C@@H]1[C@@H]2C=C[C@H]2[C@H]1C(=O)[O-]	247352984	344826445	/nfs/dbraw/zinc/82/64/45/344826445.db2.gz	COOXWMGUZWYMSO-KVTDHHQDSA-N	-2	0	168.148	0.204	50	0		ACAARL
O=C([O-])c1cc(F)n[nH]1	307076819	345796758	/nfs/dbraw/zinc/79/67/58/345796758.db2.gz	LSQNHKORGLHIMY-UHFFFAOYSA-N	-2	0	130.078	0.247	50	0		ACAARL
CC(C)CC(F)(C(=O)[O-])C(=O)[O-]	585142201	346753512	/nfs/dbraw/zinc/75/35/12/346753512.db2.gz	JUDHNJYDNHQEEK-UHFFFAOYSA-N	-2	0	178.159	0.910	50	0		ACAARL
C[C@@H](CC(=O)[O-])[C@H](C)C(=O)[O-]	394318	351278459	/nfs/dbraw/zinc/27/84/59/351278459.db2.gz	LQNGULJVMSGMOE-WHFBIAKZSA-N	-2	0	160.169	0.818	50	0	in-vitro	ACAARL
CC(C)C(C(=O)[O-])C(=O)[O-]	394950	351278483	/nfs/dbraw/zinc/27/84/83/351278483.db2.gz	DQEUFPARIOFOAI-UHFFFAOYSA-N	-2	0	146.142	0.428	50	0	in-vitro	ACAARL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[O-]	1732855	351298507	/nfs/dbraw/zinc/29/85/07/351298507.db2.gz	HJBCAOHCOZDCCY-UHFFFAOYSA-N	-2	0	199.128	0.528	50	0	in-vitro	ACAARL
O=P([O-])([O-])c1ccccc1O	2807256	351315001	/nfs/dbraw/zinc/31/50/01/351315001.db2.gz	VTLSGZWUFXMAOD-UHFFFAOYSA-N	-2	0	174.092	0.195	50	0		ACAARL
Cc1cccc(P(=O)([O-])[O-])c1	3086388	351315901	/nfs/dbraw/zinc/31/59/01/351315901.db2.gz	PLTITAYELKYVLW-UHFFFAOYSA-N	-2	0	172.120	0.798	50	0		ACAARL
O=P([O-])([O-])c1ccc(O)cc1	3608742	351318015	/nfs/dbraw/zinc/31/80/15/351318015.db2.gz	YIDVLWDHYNWHMH-UHFFFAOYSA-N	-2	0	174.092	0.195	50	0	in-vitro	ACAARL
CCO[P@@](=O)([O-])C(=O)[O-]	3653723	351319072	/nfs/dbraw/zinc/31/90/72/351319072.db2.gz	BKWIXPAEQDWSDE-UHFFFAOYSA-N	-2	0	154.058	0.886	50	0		ACAARL
C[C@@]1(C(=O)[O-])C[C@H]1C(=O)[O-]	4862950	351334289	/nfs/dbraw/zinc/33/42/89/351334289.db2.gz	CUXGZYHWQYTLKE-BBIVZNJYSA-N	-2	0	144.126	0.182	50	0		ACAARL
CC(C)(OC(C)(C)C(=O)[O-])C(=O)[O-]	5395811	351343879	/nfs/dbraw/zinc/34/38/79/351343879.db2.gz	RJYYBURLNQJOMQ-UHFFFAOYSA-N	-2	0	190.195	0.729	50	0		ACAARL
C[C@@H]1C=CC[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	6130014	351350099	/nfs/dbraw/zinc/35/00/99/351350099.db2.gz	ZPRXNOLDOXHXIQ-QYNIQEEDSA-N	-2	0	184.191	0.984	50	0	in-vitro	ACAARL
C[C@@H](SCC(=O)[O-])C(=O)[O-]	6852750	351354152	/nfs/dbraw/zinc/35/41/52/351354152.db2.gz	UEHXJEXLYJVLTJ-GSVOUGTGSA-N	-2	0	164.182	0.277	50	0		ACAARL
CC[C@@H](C(=O)[O-])n1ccc(C(=O)[O-])n1	12396897	351365328	/nfs/dbraw/zinc/36/53/28/351365328.db2.gz	VJGFJPMMQPBYTJ-LURJTMIESA-N	-2	0	198.178	0.617	50	0	in-vitro	ACAARL
O=P([O-])([O-])Oc1ccc(O)cc1	13540060	351369670	/nfs/dbraw/zinc/36/96/70/351369670.db2.gz	ISNQQCBTEWYZTH-UHFFFAOYSA-N	-2	0	190.091	0.864	50	0		ACAARL
O=Cc1c(O)cccc1C(=O)[O-]	15217452	351378108	/nfs/dbraw/zinc/37/81/08/351378108.db2.gz	OGHSDOFDWLGWKO-UHFFFAOYSA-N	-2	0	166.132	0.903	50	0	in-vitro	ACAARL
CC[C@@H](C(=O)[O-])[P@@](=O)([O-])O	29786743	351422270	/nfs/dbraw/zinc/42/22/70/351422270.db2.gz	PWSXRGRLZKVHLW-VKHMYHEASA-N	-2	0	168.085	0.027	50	0		ACAARL
O=c1[n-]c(C2CC2)nc([O-])c1F	38386855	351481174	/nfs/dbraw/zinc/48/11/74/351481174.db2.gz	HTHLEQWSIZBZGJ-UHFFFAOYSA-N	-2	0	170.143	0.492	50	0	in-vitro	ACAARL
C[C@]1(C(=O)[O-])CC[C@]1(C)C(=O)[O-]	39641719	351503225	/nfs/dbraw/zinc/50/32/25/351503225.db2.gz	UAVBJCGFDYWJAG-HTQZYQBOSA-N	-2	0	172.180	0.962	50	0		ACAARL
C[C@@H](SCCC(=O)[O-])C(=O)[O-]	49854419	351550009	/nfs/dbraw/zinc/55/00/09/351550009.db2.gz	SIHCENGFXNSHNG-SCSAIBSYSA-N	-2	0	178.209	0.667	50	0		ACAARL
C[C@@H]1C=CC[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	100290483	351694350	/nfs/dbraw/zinc/69/43/50/351694350.db2.gz	ZPRXNOLDOXHXIQ-VQVTYTSYSA-N	-2	0	184.191	0.984	50	0	in-vitro	ACAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@H]2[C@H]1C(=O)[O-]	104280480	351711806	/nfs/dbraw/zinc/71/18/06/351711806.db2.gz	COOXWMGUZWYMSO-KAZBKCHUSA-N	-2	0	168.148	0.204	50	0		ACAARL
O=C([O-])C(CC(F)(F)F)C(=O)[O-]	197036919	351777714	/nfs/dbraw/zinc/77/77/14/351777714.db2.gz	MHYPGYJSBKDVGX-UHFFFAOYSA-N	-2	0	186.085	0.724	50	0		ACAARL
Cc1c(C(=O)[O-])ncnc1C(=O)[O-]	575465843	352264391	/nfs/dbraw/zinc/26/43/91/352264391.db2.gz	YMLNPSXGIDFHPZ-UHFFFAOYSA-N	-2	0	182.135	0.181	50	0		ACAARL
C[C@@H]1C=CC[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	6030604	371620749	/nfs/dbraw/zinc/62/07/49/371620749.db2.gz	ZPRXNOLDOXHXIQ-FSDSQADBSA-N	-2	0	184.191	0.984	50	0	in-vitro	ACAARL
Cc1cc2ncc(C(=O)[O-])c(=O)n2[n-]1	103591310	409450577	/nfs/dbraw/zinc/45/05/77/409450577.db2.gz	CYWMDGLKMSQVMR-UHFFFAOYSA-N	-2	0	193.162	0.442	50	0		ACAARL
O=C([O-])COc1ccnc(C(=O)[O-])c1	958528926	631164630	/nfs/dbraw/zinc/16/46/30/631164630.db2.gz	YPYMPMYLKVNSEV-UHFFFAOYSA-N	-2	0	197.146	0.243	50	0		ACAARL
O=C([O-])c1cc(C(=O)[O-])c(F)cn1	238638298	526345270	/nfs/dbraw/zinc/34/52/70/526345270.db2.gz	YMTWJDCPCBQOIJ-UHFFFAOYSA-N	-2	0	185.110	0.617	50	0		ACAARL
O=C([O-])c1nc2nc[n-]c(Cl)c-2n1	84252481	526408873	/nfs/dbraw/zinc/40/88/73/526408873.db2.gz	DNCAWBLRBIPPFI-UHFFFAOYSA-N	-2	0	198.569	0.705	50	0		ACAARL
O=C([O-])C12CCC(C(=O)[O-])(C1)C2	216559918	527560356	/nfs/dbraw/zinc/56/03/56/527560356.db2.gz	PIFLRCNRXDHGOK-UHFFFAOYSA-N	-2	0	170.164	0.716	50	0		ACAARL