smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)(CC(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000049356387	168312289	/nfs/dbraw/zinc/31/22/89/168312289.db2.gz	ADRUKGHBWLULDV-ZETCQYMHSA-N	-2	0	245.275	0.857	10	0		BCAERL
CSCC[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000003209754	342731725	/nfs/dbraw/zinc/73/17/25/342731725.db2.gz	JRGQIDFOMSJLPW-BYPYZUCNSA-N	-2	0	245.222	0.871	10	0		BCAERL
CCN(CC)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000040524358	538971854	/nfs/dbraw/zinc/97/18/54/538971854.db2.gz	TZWXTQCLYXNGDZ-SSDOTTSWSA-N	-2	0	246.263	0.356	10	0		BCAERL
CCCOCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000050103024	539010247	/nfs/dbraw/zinc/01/02/47/539010247.db2.gz	PVEAGYVCNPZFNK-UHFFFAOYSA-N	-2	0	212.205	0.395	10	0		BCAERL
CC(=O)N[C@H](CSC[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000022047201	187205949	/nfs/dbraw/zinc/20/59/49/187205949.db2.gz	NCVHUCCOTCVUCB-IYSWYEEDSA-N	-2	0	249.288	0.030	10	0	in-vitro	BCAERL
O=C([O-])Cc1ccc(OS(=O)(=O)[O-])cc1	ZINC000143138533	343117262	/nfs/dbraw/zinc/11/72/62/343117262.db2.gz	IIODELUADFSHIZ-UHFFFAOYSA-N	-2	0	232.213	0.495	10	0		BCAERL
O=C([O-])c1[nH]c(C(=O)[O-])c2c1OCCO2	ZINC000002563934	187242005	/nfs/dbraw/zinc/24/20/05/187242005.db2.gz	MUKLTUYFKHGLDJ-UHFFFAOYSA-N	-2	0	213.145	0.182	10	0		BCAERL
CC(=O)SC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000034528313	343274299	/nfs/dbraw/zinc/27/42/99/343274299.db2.gz	XFCUZVSVGRNFOR-RXMQYKEDSA-N	-2	0	206.219	0.442	10	0		BCAERL
CCOc1cc(C(=O)[O-])nc(C(=O)[O-])c1	ZINC000035653849	343301299	/nfs/dbraw/zinc/30/12/99/343301299.db2.gz	JQEWFUITIOXUCQ-UHFFFAOYSA-N	-2	0	211.173	0.877	10	0		BCAERL
N#Cc1c(CC(=O)[O-])cc([O-])cc1[N+](=O)[O-]	ZINC000396135477	344613088	/nfs/dbraw/zinc/61/30/88/344613088.db2.gz	IMUJMFOBMSVYSW-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1ccc([O-])c(CC(=O)[O-])c1C=O	ZINC000396138675	344614596	/nfs/dbraw/zinc/61/45/96/344614596.db2.gz	RZTOHKCVAZYWQO-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1cc([N+](=O)[O-])c([O-])cc1CC(=O)[O-]	ZINC000396138815	344614724	/nfs/dbraw/zinc/61/47/24/344614724.db2.gz	SIMKZXWMDZCIAH-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000396146472	344620267	/nfs/dbraw/zinc/62/02/67/344620267.db2.gz	JNBGUKSDTJQDSV-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
O=C([O-])c1ccccc1NC(=O)C=N[O-]	ZINC000254484725	345704475	/nfs/dbraw/zinc/70/44/75/345704475.db2.gz	HKECZOKZNVYPQT-UHFFFAOYSA-N	-2	0	208.173	0.783	10	0		BCAERL
C[C@H](CC(C)(C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000140062085	345851076	/nfs/dbraw/zinc/85/10/76/345851076.db2.gz	GKJYHTGGXDEYSU-SCSAIBSYSA-N	-3	0	204.178	0.273	10	0		BCAERL
O=C([O-])C1(NC(=O)C(F)F)CCCC1	ZINC000236411049	346237239	/nfs/dbraw/zinc/23/72/39/346237239.db2.gz	HCRKIRRRDNLIGG-UHFFFAOYSA-N	-2	0	207.176	0.765	10	0		BCAERL
Cc1cccc(C(=O)[O-])c1NC(=O)C(=O)[O-]	ZINC000013491443	179026307	/nfs/dbraw/zinc/02/63/07/179026307.db2.gz	XBWCWEUFICGBSE-UHFFFAOYSA-N	-2	0	223.184	0.716	10	0		BCAERL
O=C([O-])Cn1c2sccc2c(=O)nc1[O-]	ZINC000306792220	351040719	/nfs/dbraw/zinc/04/07/19/351040719.db2.gz	DOJLVQCVQPUUTP-UHFFFAOYSA-N	-2	0	226.213	0.248	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc(F)cc([O-])c1F	ZINC000307346506	352102865	/nfs/dbraw/zinc/10/28/65/352102865.db2.gz	PCZWMUVDWHBPGC-ZETCQYMHSA-N	-2	0	204.128	0.788	10	0		BCAERL
CC(=O)CCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013491806	188279441	/nfs/dbraw/zinc/27/94/41/188279441.db2.gz	PAZMBTMPGMMSDC-UHFFFAOYSA-N	-3	0	248.064	0.192	10	0		BCAERL
C=C[C@@H](C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000036421131	355670715	/nfs/dbraw/zinc/67/07/15/355670715.db2.gz	SJWVXFYBDFJOFF-UHNVWZDZSA-N	-2	0	225.166	0.940	10	0		BCAERL
Cc1cc(O)c(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675060086	538485939	/nfs/dbraw/zinc/48/59/39/538485939.db2.gz	RTLKJGNKCSCZNY-UHFFFAOYSA-N	-2	0	216.214	0.979	10	0		BCAERL
CC(C)(C)C[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000223587249	538592938	/nfs/dbraw/zinc/59/29/38/538592938.db2.gz	MJSZIAIXAOSWND-VIFPVBQESA-N	-2	0	204.222	0.713	10	0		BCAERL
O=P([O-])([O-])c1ccc(-n2cnnc2)cc1	ZINC000584634490	358318568	/nfs/dbraw/zinc/31/85/68/358318568.db2.gz	HGRGJRBBVZRQTP-UHFFFAOYSA-N	-2	0	225.144	0.070	10	0		BCAERL
CC(=O)C(C(=O)[O-])=C([O-])c1ccccc1O	ZINC000145245283	368349388	/nfs/dbraw/zinc/34/93/88/368349388.db2.gz	WXVAZWVDECJSAT-SECBINFHSA-N	-2	0	222.196	0.865	10	0		BCAERL
O=C([O-])[C@]1([N-]C(=O)C(F)(F)F)CCSC1	ZINC000043511133	182322025	/nfs/dbraw/zinc/32/20/25/182322025.db2.gz	VVNRKHYLQJTQMX-LURJTMIESA-N	-2	0	243.206	0.625	10	0		BCAERL
O=C([O-])CC/C=C(\NC(=O)C1CC1)C(=O)[O-]	ZINC000026024116	182431214	/nfs/dbraw/zinc/43/12/14/182431214.db2.gz	LVNFBZHUWSSGPC-UQCOIBPSSA-N	-2	0	227.216	0.346	10	0		BCAERL
O=C([O-])CNC(=O)Nc1ccccc1C(=O)[O-]	ZINC000032500486	182464370	/nfs/dbraw/zinc/46/43/70/182464370.db2.gz	WJCSORMHTSQZAY-UHFFFAOYSA-N	-2	0	238.199	0.591	10	0		BCAERL
COc1cc(C(=O)[O-])ccc1[C@@H](O)C(=O)[O-]	ZINC000095934443	384412896	/nfs/dbraw/zinc/41/28/96/384412896.db2.gz	QMCOLNKKAMIVGJ-MRVPVSSYSA-N	-2	0	226.184	0.511	10	0		BCAERL
O=C([O-])c1c[nH]c2nc(C(=O)[O-])ccc12	ZINC000095937190	384416891	/nfs/dbraw/zinc/41/68/91/384416891.db2.gz	IHYPKFBTFHFYOQ-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])[C@H](O)c1ccc([S-])c(F)c1O	ZINC000575704355	384781186	/nfs/dbraw/zinc/78/11/86/384781186.db2.gz	AEGQQCQLGOSIQV-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@@H](O)c1ccc([S-])c(F)c1O	ZINC000575704386	384783064	/nfs/dbraw/zinc/78/30/64/384783064.db2.gz	AEGQQCQLGOSIQV-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000086017777	384981781	/nfs/dbraw/zinc/98/17/81/384981781.db2.gz	JAYOPTGXLWIBTI-UHFFFAOYSA-N	-2	0	233.220	0.432	10	0		BCAERL
Cc1[n-]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000536952586	387165888	/nfs/dbraw/zinc/16/58/88/387165888.db2.gz	CVUVCCBOHNIUKN-UHFFFAOYSA-N	-2	0	233.227	0.496	10	0		BCAERL
O=Cc1cccn1[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000536960184	387172563	/nfs/dbraw/zinc/17/25/63/387172563.db2.gz	XTILHXNNKZQGTO-QMMMGPOBSA-N	-2	0	225.200	0.791	10	0		BCAERL
NS(=O)(=O)c1c([O-])c(F)ccc1[S-]	ZINC000575705771	387410440	/nfs/dbraw/zinc/41/04/40/387410440.db2.gz	NDQWDXTUKONFIV-UHFFFAOYSA-N	-2	0	223.250	0.467	10	0		BCAERL
O=C([O-])[C@@H](O)c1c(F)cc(O)cc1[S-]	ZINC000575706338	387410779	/nfs/dbraw/zinc/41/07/79/387410779.db2.gz	USRXAMCRCLDYLH-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@@H](O)c1c(O)cc([S-])cc1F	ZINC000575705498	387411046	/nfs/dbraw/zinc/41/10/46/387411046.db2.gz	JPYBDBOQAKDGJW-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@@H](O)c1c(O)ccc([S-])c1F	ZINC000575706153	387411182	/nfs/dbraw/zinc/41/11/82/387411182.db2.gz	SBOBGDDRIFNLFF-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])c1cnc([O-])n(CC(F)(F)F)c1=O	ZINC000575622704	387807059	/nfs/dbraw/zinc/80/70/59/387807059.db2.gz	QSUFJTZMNSDYPT-UHFFFAOYSA-N	-2	0	238.121	0.209	10	0		BCAERL
O=C([O-])c1c[n-]n(Cc2ccccc2)c1=O	ZINC000133062824	388377286	/nfs/dbraw/zinc/37/72/86/388377286.db2.gz	NVPINFORLVBKFR-VIFPVBQESA-N	-2	0	218.212	0.715	10	0		BCAERL
O=C([O-])C1=CC[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000575460912	388806852	/nfs/dbraw/zinc/80/68/52/388806852.db2.gz	KOTOSMLZQOZRBC-RXMQYKEDSA-N	-2	0	223.150	0.838	10	0		BCAERL
C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000261538547	135176482	/nfs/dbraw/zinc/17/64/82/135176482.db2.gz	YMXNCHWBCPNSAU-SCSAIBSYSA-N	-2	0	249.210	0.331	10	0		BCAERL
CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263550091	135359582	/nfs/dbraw/zinc/35/95/82/135359582.db2.gz	KAXHDBIHJYPYMY-RITPCOANSA-N	-2	0	217.221	0.077	10	0		BCAERL
C/C(=C(\CC(=O)[O-])C(=O)[O-])C(C)(C)O	ZINC000075602216	166232019	/nfs/dbraw/zinc/23/20/19/166232019.db2.gz	KLQHUIKODZUOKS-WAYWQWQTSA-N	-2	0	202.206	0.633	10	0		BCAERL
O=C([O-])[C@H](O)c1cc(F)c([O-])cc1F	ZINC000238719157	411318533	/nfs/dbraw/zinc/31/85/33/411318533.db2.gz	DYHIYVNGTJVTOD-SSDOTTSWSA-N	-2	0	204.128	0.788	10	0		BCAERL
CC1=C(C)CC(C(=O)[O-])(C(=O)[O-])OC1	ZINC000138606550	168080103	/nfs/dbraw/zinc/08/01/03/168080103.db2.gz	IJXWYMXOQFLCEF-UHFFFAOYSA-N	-2	0	200.190	0.651	10	0		BCAERL
CN1C(=O)[N-]C(=O)C(=C([O-])c2ccccc2)C1=O	ZINC000103238338	172970193	/nfs/dbraw/zinc/97/01/93/172970193.db2.gz	WXFOCSQVQRJWKG-QMMMGPOBSA-N	-2	0	246.222	0.194	10	0		BCAERL
COc1ccc(C(C(=O)[O-])C(=O)[O-])cc1	ZINC000013537373	175066756	/nfs/dbraw/zinc/06/67/56/175066756.db2.gz	HKGWZPGNUJEGCT-UHFFFAOYSA-N	-2	0	210.185	0.948	10	0		BCAERL
CCC(CC)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259429	566305570	/nfs/dbraw/zinc/30/55/70/566305570.db2.gz	BPYZSTAELXAICQ-VIFPVBQESA-N	-2	0	204.222	0.713	10	0		BCAERL
CCC(CC)(CC(=O)NCCC(=O)[O-])C(=O)[O-]	ZINC000037792777	168312552	/nfs/dbraw/zinc/31/25/52/168312552.db2.gz	BBBIJCZZDSLTNU-UHFFFAOYSA-N	-2	0	245.275	0.858	10	0		BCAERL
O=C([O-])C[C@](O)(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000006092938	398280940	/nfs/dbraw/zinc/28/09/40/398280940.db2.gz	XLGKDRSWPCQYAB-LLVKDONJSA-N	-2	0	240.211	0.225	10	0		BCAERL
N#Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1[O-]	ZINC000167058669	343584093	/nfs/dbraw/zinc/58/40/93/343584093.db2.gz	ADNMLTDGXCTMNU-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
N#Cc1cc([O-])c([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000396139126	344614569	/nfs/dbraw/zinc/61/45/69/344614569.db2.gz	SVFRLHPHICVWQF-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc(F)c([O-])cc1F	ZINC000238680927	345111031	/nfs/dbraw/zinc/11/10/31/345111031.db2.gz	DYHIYVNGTJVTOD-ZETCQYMHSA-N	-2	0	204.128	0.788	10	0		BCAERL
CCC[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000147300883	345710915	/nfs/dbraw/zinc/71/09/15/345710915.db2.gz	HRAPDLBXHOBAKA-ZCFIWIBFSA-N	-2	0	217.221	0.221	10	0		BCAERL
[NH3+][C@H](CCC(=O)[O-])c1ocnc1C(=O)[O-]	ZINC000616568020	347440034	/nfs/dbraw/zinc/44/00/34/347440034.db2.gz	AEMGHQZBHQJNJE-SCSAIBSYSA-N	-2	0	214.177	0.237	10	0		BCAERL
CC(C)[C@@](C)(CC(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000049356412	187951715	/nfs/dbraw/zinc/95/17/15/187951715.db2.gz	JMJRMTZYXGZLQD-RDDDGLTNSA-N	-2	0	245.275	0.713	10	0		BCAERL
O=C([O-])[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)[O-])C21CC1	ZINC000004005915	188275600	/nfs/dbraw/zinc/27/56/00/188275600.db2.gz	LWSWVNJMECIFIF-KVFPUHGPSA-N	-2	0	208.213	0.984	10	0		BCAERL
O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])cc1	ZINC000006093151	188277320	/nfs/dbraw/zinc/27/73/20/188277320.db2.gz	OATNQHYJXLHTEW-UHFFFAOYSA-N	-2	0	238.242	0.180	10	0	in-vitro	BCAERL
NS(=O)(=O)Nc1cc(F)ccc1O	ZINC000167500849	356171207	/nfs/dbraw/zinc/17/12/07/356171207.db2.gz	ZERSHOIZNJSLTG-UHFFFAOYSA-N	-2	0	206.198	0.147	10	0		BCAERL
NC(=O)[C@@H](C(=O)[O-])c1ccccc1[S-]	ZINC000034259509	181263972	/nfs/dbraw/zinc/26/39/72/181263972.db2.gz	FGTVXZKNVZPKKD-ZETCQYMHSA-N	-2	0	211.242	0.629	10	0		BCAERL
O=C([O-])[C@@H](O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000238683017	361178103	/nfs/dbraw/zinc/17/81/03/361178103.db2.gz	BEURMOGVNUOHRM-ZETCQYMHSA-N	-2	0	213.145	0.418	10	0		BCAERL
CCC[C@H](C)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260113	541334711	/nfs/dbraw/zinc/33/47/11/541334711.db2.gz	NYSKOAZNQYYHDC-RCOVLWMOSA-N	-2	0	204.222	0.713	10	0		BCAERL
O=C([O-])C1(C(=O)[O-])OC2CCC1CC2	ZINC000075601450	182422920	/nfs/dbraw/zinc/42/29/20/182422920.db2.gz	KAARCFGDJJRYRV-UHFFFAOYSA-N	-2	0	200.190	0.483	10	0		BCAERL
O=C([O-])CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000401317	182430990	/nfs/dbraw/zinc/43/09/90/182430990.db2.gz	ZLHHZRMVPUGTQH-UHFFFAOYSA-N	-2	0	223.184	0.798	10	0		BCAERL
O=C([O-])[C@@H]1CS[C@H](C(=O)[O-])CS1	ZINC000075616026	182520066	/nfs/dbraw/zinc/52/00/66/182520066.db2.gz	HFBXNZOAFYYTSB-IMJSIDKUSA-N	-2	0	208.260	0.373	10	0		BCAERL
O=C([O-])c1cc(=O)cc(C(=O)[O-])s1	ZINC000090693859	182552422	/nfs/dbraw/zinc/55/24/22/182552422.db2.gz	ZYEFUTPAYPSVHW-UHFFFAOYSA-N	-2	0	200.171	0.505	10	0		BCAERL
O=C([O-])[C@@H](O)c1ccc([S-])c(O)c1F	ZINC000575704671	384787827	/nfs/dbraw/zinc/78/78/27/384787827.db2.gz	BGXUHWZLPRNDPP-LURJTMIESA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])C[C@](O)(Cc1ccccc1)C(=O)[O-]	ZINC000006096567	387515058	/nfs/dbraw/zinc/51/50/58/387515058.db2.gz	ZNAJIKYTBCGAQQ-LLVKDONJSA-N	-2	0	224.212	0.520	10	0	in-vitro	BCAERL
COc1ccc(C(=O)[O-])c(O)c1C(=O)[O-]	ZINC000504491224	533351590	/nfs/dbraw/zinc/35/15/90/533351590.db2.gz	PTOYQUWBFGYVJY-UHFFFAOYSA-N	-2	0	212.157	0.797	10	0		BCAERL
CC(C)N(CC(=O)[O-])C(=O)CCC(=O)[O-]	ZINC000261535914	135170632	/nfs/dbraw/zinc/17/06/32/135170632.db2.gz	PQPNVXLHUCVVGU-UHFFFAOYSA-N	-2	0	217.221	0.173	10	0		BCAERL
C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000261538546	135176579	/nfs/dbraw/zinc/17/65/79/135176579.db2.gz	YMXNCHWBCPNSAU-BYPYZUCNSA-N	-2	0	249.210	0.331	10	0		BCAERL
O=C([O-])c1cc(=O)n(C2CCCCC2)[n-]1	ZINC000042411264	398015086	/nfs/dbraw/zinc/01/50/86/398015086.db2.gz	QWNUIKKMIDFVQI-UHFFFAOYSA-N	-2	0	210.233	0.992	10	0		BCAERL
CC1(C)C(=O)[C@]2(C(=O)[O-])CC[C@@]1(C(=O)[O-])C2	ZINC000004243198	167878154	/nfs/dbraw/zinc/87/81/54/167878154.db2.gz	KJGNDHQAHQSUMG-QWRGUYRKSA-N	-2	0	226.228	0.921	10	0		BCAERL
CC[C@@H](C)C[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259397	566306337	/nfs/dbraw/zinc/30/63/37/566306337.db2.gz	AFXOAGMGFOVXCW-MUWHJKNJSA-N	-2	0	204.222	0.713	10	0		BCAERL
Cc1nn2c([n-]1)nc(=O)c(C(C)C)c2[O-]	ZINC000129043478	584907438	/nfs/dbraw/zinc/90/74/38/584907438.db2.gz	VSOVQUWZLPAPPM-UHFFFAOYSA-N	-2	0	208.221	0.555	10	0		BCAERL
O=C([O-])c1cc(=O)n(-c2ccc(O)cc2)[n-]1	ZINC000213313610	711519594	/nfs/dbraw/zinc/51/95/94/711519594.db2.gz	BQOSUHXZOUZOIF-UHFFFAOYSA-N	-2	0	220.184	0.569	10	0		BCAERL
O=C([O-])Cc1ncc(Br)c(=O)[n-]1	ZINC000757121910	643239674	/nfs/dbraw/zinc/23/96/74/643239674.db2.gz	MEGCENXVIMHPIG-UHFFFAOYSA-N	-2	0	233.021	0.572	10	0		BCAERL
O=Cc1cccn1[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000536960172	398199552	/nfs/dbraw/zinc/19/95/52/398199552.db2.gz	XTILHXNNKZQGTO-MRVPVSSYSA-N	-2	0	225.200	0.791	10	0		BCAERL
Cc1ccc(-n2nc(C(=O)[O-])[n-]c2=O)cc1	ZINC000020272438	178347071	/nfs/dbraw/zinc/34/70/71/178347071.db2.gz	OUGGBVFNCKVAIB-UHFFFAOYSA-N	-2	0	219.200	0.567	10	0		BCAERL
O=C([O-])c1cnc(C[C@@H]2CCCO2)[nH]c1=O	ZINC000050102984	539010387	/nfs/dbraw/zinc/01/03/87/539010387.db2.gz	OMUOMGOCNYKOBE-LURJTMIESA-N	-2	0	224.216	0.190	10	0		BCAERL
C#CCOc1cc(C(=O)[O-])nc(C(=O)[O-])c1	ZINC000202268657	343117634	/nfs/dbraw/zinc/11/76/34/343117634.db2.gz	ZVFZYUQHKUHLLJ-UHFFFAOYSA-N	-2	0	221.168	0.490	10	0		BCAERL
O=C([O-])c1ncc(Cl)nc1C(=O)[O-]	ZINC000095761836	187287826	/nfs/dbraw/zinc/28/78/26/187287826.db2.gz	HLUIDKPBRYGSBH-UHFFFAOYSA-N	-2	0	202.553	0.526	10	0		BCAERL
N#Cc1c([O-])ccc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000396138160	344614198	/nfs/dbraw/zinc/61/41/98/344614198.db2.gz	QKTOPBALHSJJKO-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([O-])c([N+](=O)[O-])c(CC(=O)[O-])c1	ZINC000396151241	344624200	/nfs/dbraw/zinc/62/42/00/344624200.db2.gz	QQTYRHCJFJXUEM-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(C(=O)[O-])cc([O-])c1[N+](=O)[O-]	ZINC000396167696	344636891	/nfs/dbraw/zinc/63/68/91/344636891.db2.gz	YAERKSWYGBDSJT-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
O=C([O-])N1c2ccccc2NC[C@@H]1c1nnn[n-]1	ZINC000616691854	345549091	/nfs/dbraw/zinc/54/90/91/345549091.db2.gz	QCKSBELCDKGOLP-MRVPVSSYSA-N	-2	0	246.230	0.851	10	0		BCAERL
O=C([O-])C[C@H]1Cc2ccc(O)cc2OC1=O	ZINC000169263571	345839352	/nfs/dbraw/zinc/83/93/52/345839352.db2.gz	VFVPVMREQMEBLA-SSDOTTSWSA-N	-2	0	222.196	0.945	10	0		BCAERL
Nc1cc(S(=O)(=O)[O-])ccc1[S-]	ZINC000034128737	346205523	/nfs/dbraw/zinc/20/55/23/346205523.db2.gz	OQOSNFWADUEBEP-UHFFFAOYSA-N	-2	0	205.260	0.804	10	0		BCAERL
Cc1nsc([N-]S(C)(=O)=O)c1C(=O)[O-]	ZINC000037675804	350286348	/nfs/dbraw/zinc/28/63/48/350286348.db2.gz	SFSZXXDMTBBMAA-UHFFFAOYSA-N	-2	0	236.274	0.521	10	0		BCAERL
O=C([O-])N1CCC[C@@H](c2nnn[n-]2)CC1	ZINC000616611399	350809041	/nfs/dbraw/zinc/80/90/41/350809041.db2.gz	PSMKDSBYORKGFO-ZCFIWIBFSA-N	-2	0	211.225	0.447	10	0		BCAERL
O=C([O-])c1ncsc1S(=O)(=O)[O-]	ZINC000404896921	352619177	/nfs/dbraw/zinc/61/91/77/352619177.db2.gz	CFIAXJBYIVFMLW-UHFFFAOYSA-N	-2	0	209.204	0.088	10	0		BCAERL
O=C([O-])c1n[nH]c2c1cccc2C(=O)[O-]	ZINC000075131382	188049051	/nfs/dbraw/zinc/04/90/51/188049051.db2.gz	GKVSLGHRWYRDSA-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
NC(=O)C=C([O-])c1ccccc1CC(=O)[O-]	ZINC000082289143	181218978	/nfs/dbraw/zinc/21/89/78/181218978.db2.gz	WDXXHJZBSFDXKF-UHFFFAOYSA-N	-2	0	221.212	0.372	10	0		BCAERL
O=C(NCCOP(=O)([O-])[O-])c1ccccc1	ZINC000584652538	358307713	/nfs/dbraw/zinc/30/77/13/358307713.db2.gz	OXKUENHOSZBQRW-UHFFFAOYSA-N	-2	0	245.171	0.526	10	0		BCAERL
Cc1cnc(-c2nc(C(=O)[O-])cc(=O)[n-]2)o1	ZINC000584637462	358322859	/nfs/dbraw/zinc/32/28/59/358322859.db2.gz	ZPEBSWLLNRFIHO-UHFFFAOYSA-N	-2	0	221.172	0.844	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000238681651	361177616	/nfs/dbraw/zinc/17/76/16/361177616.db2.gz	MVNLREFIXPSMEW-ZETCQYMHSA-N	-2	0	213.145	0.418	10	0		BCAERL
CCC(C)(C)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259500	541333635	/nfs/dbraw/zinc/33/36/35/541333635.db2.gz	CQSDYNMXZKMTTE-SECBINFHSA-N	-2	0	204.222	0.713	10	0		BCAERL
CC(=O)C(C(=O)[O-])=C([O-])c1ccccc1O	ZINC000145245499	368349670	/nfs/dbraw/zinc/34/96/70/368349670.db2.gz	WXVAZWVDECJSAT-VIFPVBQESA-N	-2	0	222.196	0.865	10	0		BCAERL
O=C([O-])CC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000095935246	182431020	/nfs/dbraw/zinc/43/10/20/182431020.db2.gz	IWDABEUSMIOXEG-LURJTMIESA-N	-2	0	215.205	0.420	10	0		BCAERL
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1O	ZINC000006092114	182571555	/nfs/dbraw/zinc/57/15/55/182571555.db2.gz	RHLPAVIBWYPLRV-UHFFFAOYSA-N	-2	0	218.186	0.337	10	0		BCAERL
O=C([O-])c1ccc2oc([C@H](O)C(=O)[O-])nc2c1	ZINC000076163936	182575473	/nfs/dbraw/zinc/57/54/73/182575473.db2.gz	OVPZHRMCDRZVLQ-ZETCQYMHSA-N	-2	0	237.167	0.644	10	0		BCAERL
O=C([O-])c1ccccc1N[S@@](=O)[O-]	ZINC000039085016	182582663	/nfs/dbraw/zinc/58/26/63/182582663.db2.gz	NGIXXBBKFOVSRX-UHFFFAOYSA-N	-2	0	201.203	0.933	10	0		BCAERL
O=C([O-])c1cnn(Cc2ccc(C(=O)[O-])o2)c1	ZINC000020314328	182591319	/nfs/dbraw/zinc/59/13/19/182591319.db2.gz	VIPWOQWFIVNWTB-UHFFFAOYSA-N	-2	0	236.183	0.921	10	0		BCAERL
O=C([O-])c1cnc(-n2cccn2)[nH]c1=O	ZINC000117209029	384167824	/nfs/dbraw/zinc/16/78/24/384167824.db2.gz	RJKSSALQEWGLDD-UHFFFAOYSA-N	-2	0	206.161	0.066	10	0		BCAERL
C/C(C(=O)[O-])=C(/C)[C@H](C)[P@@](=O)([O-])O	ZINC000095080671	384358762	/nfs/dbraw/zinc/35/87/62/384358762.db2.gz	KTQKLYDEMBAUQW-OVCGOVNKSA-N	-2	0	208.150	0.974	10	0		BCAERL
O=C([O-])[C@@H](O)c1c(O)c(F)ccc1[S-]	ZINC000575706188	384801415	/nfs/dbraw/zinc/80/14/15/384801415.db2.gz	STYHFJMIWWEGDC-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@H](O)c1c(F)cc(O)cc1[S-]	ZINC000575706337	387410735	/nfs/dbraw/zinc/41/07/35/387410735.db2.gz	USRXAMCRCLDYLH-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])c1cc(C(=O)[O-])nc(Cl)n1	ZINC000201577617	397959933	/nfs/dbraw/zinc/95/99/33/397959933.db2.gz	LTDKJKWSQKAIFQ-UHFFFAOYSA-N	-2	0	202.553	0.526	10	0		BCAERL
O=C([O-])c1cc(=O)n(-c2ccccn2)[n-]1	ZINC000042411235	398014842	/nfs/dbraw/zinc/01/48/42/398014842.db2.gz	TZJGLTWQSWHSDR-UHFFFAOYSA-N	-2	0	205.173	0.259	10	0		BCAERL
CC(C)Sc1nnc(CC(=O)[O-])c(=O)[n-]1	ZINC000026443373	167338506	/nfs/dbraw/zinc/33/85/06/167338506.db2.gz	NYQKGUBQAUYVIC-UHFFFAOYSA-N	-2	0	229.261	0.705	10	0		BCAERL
COCC[C@@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000141160355	174388471	/nfs/dbraw/zinc/38/84/71/174388471.db2.gz	KCZSTYXICCQKRA-SSDOTTSWSA-N	-2	0	204.222	0.979	10	0		BCAERL
C[C@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)[O-]	ZINC000043630537	177023488	/nfs/dbraw/zinc/02/34/88/177023488.db2.gz	DVRAUVGSXKHGTA-YFKPBYRVSA-N	-2	0	225.200	0.819	10	0		BCAERL
O=C([O-])COc1ccc([S@](=O)[O-])cc1F	ZINC000393768865	582922670	/nfs/dbraw/zinc/92/26/70/582922670.db2.gz	DNXWYPAPBTVOJG-UHFFFAOYSA-N	-2	0	234.204	0.870	10	0		BCAERL
O=C([O-])c1ccc([S@@](=O)[O-])cc1O	ZINC000221914020	584907387	/nfs/dbraw/zinc/90/73/87/584907387.db2.gz	FJIZXNSHEGYUNT-UHFFFAOYSA-N	-2	0	202.187	0.671	10	0		BCAERL
CCC(CC)(CC(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000049356390	168312457	/nfs/dbraw/zinc/31/24/57/168312457.db2.gz	ADRUKGHBWLULDV-SSDOTTSWSA-N	-2	0	245.275	0.857	10	0		BCAERL
O=C([O-])c1sccc1S(=O)(=O)[O-]	ZINC000020534674	342989695	/nfs/dbraw/zinc/98/96/95/342989695.db2.gz	YXNDIUKTRLHPOM-UHFFFAOYSA-N	-2	0	208.216	0.693	10	0		BCAERL
CSc1nn2c([n-]1)nc(C)c(C(=O)[O-])c2=O	ZINC000031362790	343218152	/nfs/dbraw/zinc/21/81/52/343218152.db2.gz	NVMOOSHNKGHQEA-UHFFFAOYSA-N	-2	0	240.244	0.558	10	0		BCAERL
Nc1ccc([S@@](=O)[O-])cc1C(=O)[O-]	ZINC000039084909	343381538	/nfs/dbraw/zinc/38/15/38/343381538.db2.gz	KULGTBXIQIOSGM-UHFFFAOYSA-N	-2	0	201.203	0.548	10	0		BCAERL
CCC(CC)C(=O)OC(C(=O)[O-])C(=O)[O-]	ZINC000215641524	349904947	/nfs/dbraw/zinc/90/49/47/349904947.db2.gz	KJVIKZMJQZAPKQ-UHFFFAOYSA-N	-2	0	218.205	0.504	10	0		BCAERL
N#Cc1c(CC(=O)[O-])c([O-])ccc1[N+](=O)[O-]	ZINC000396134794	344612659	/nfs/dbraw/zinc/61/26/59/344612659.db2.gz	FOSRFWBUEZJCFO-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1ccc([O-])c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396135043	344612717	/nfs/dbraw/zinc/61/27/17/344612717.db2.gz	GWBSMZQXPBZSBF-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000396135928	344613085	/nfs/dbraw/zinc/61/30/85/344613085.db2.gz	KDKCDNHLAHCTKX-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([O-])cc(CC(=O)[O-])c1C=O	ZINC000396136622	344613596	/nfs/dbraw/zinc/61/35/96/344613596.db2.gz	LJLQHGSXDHEDHD-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1cc([O-])c(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000396140451	344615552	/nfs/dbraw/zinc/61/55/52/344615552.db2.gz	YQQUYJMLEVXUNP-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(C=O)c(CC(=O)[O-])cc1[O-]	ZINC000396145554	344619299	/nfs/dbraw/zinc/61/92/99/344619299.db2.gz	IBBALAGVUXSMOP-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])c([O-])cc1C=O	ZINC000396148788	344622640	/nfs/dbraw/zinc/62/26/40/344622640.db2.gz	NFFCTTDNQIBFJV-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
Cc1cccc([C@](O)(CC(=O)[O-])C(=O)[O-])c1	ZINC000675052653	537859543	/nfs/dbraw/zinc/85/95/43/537859543.db2.gz	CFHYKWMDYQZWFU-LLVKDONJSA-N	-2	0	224.212	0.742	10	0		BCAERL
Cc1nc([C@@H](O)C(=O)[O-])sc1C(=O)[O-]	ZINC000083348817	180041910	/nfs/dbraw/zinc/04/19/10/180041910.db2.gz	FZACPIMELWZIPZ-GSVOUGTGSA-N	-2	0	217.202	0.268	10	0		BCAERL
Cc1ncc(COP(=O)([O-])[O-])c(CO)c1O	ZINC000001532705	180160031	/nfs/dbraw/zinc/16/00/31/180160031.db2.gz	WHOMFKWHIQZTHY-UHFFFAOYSA-N	-2	0	249.159	0.197	10	0	endogenous,in-man	BCAERL
C[C@]1(C(=O)[O-])CC[C@](C)(C(=O)[O-])C1=O	ZINC000222897855	350255091	/nfs/dbraw/zinc/25/50/91/350255091.db2.gz	SWRMXQUCBGGGAO-IUCAKERBSA-N	-2	0	200.190	0.531	10	0		BCAERL
O=C([O-])[C@H](O)c1cc(F)cc([O-])c1F	ZINC000307346504	352102854	/nfs/dbraw/zinc/10/28/54/352102854.db2.gz	PCZWMUVDWHBPGC-SSDOTTSWSA-N	-2	0	204.128	0.788	10	0		BCAERL
O=C([O-])c1c[nH]c2cncc(C(=O)[O-])c12	ZINC000044713265	352384264	/nfs/dbraw/zinc/38/42/64/352384264.db2.gz	TWXAHYWHQNBIJU-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])C1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000001483470	188269349	/nfs/dbraw/zinc/26/93/49/188269349.db2.gz	AIARBUCVYFXSIS-UHFFFAOYSA-N	-2	0	226.213	0.093	10	0		BCAERL
O=C([O-])C1=N[C@H](C(=O)[O-])CC(OC2CC2)=C1	ZINC000095735276	188320533	/nfs/dbraw/zinc/32/05/33/188320533.db2.gz	LPMPLWKSPQXALM-QMMMGPOBSA-N	-2	0	225.200	0.432	10	0		BCAERL
O=C([O-])[C@H]1COc2ccc([S@](=O)[O-])cc2C1	ZINC000675060868	538486715	/nfs/dbraw/zinc/48/67/15/538486715.db2.gz	MBMMOYLLPUZBEN-SSDOTTSWSA-N	-2	0	242.252	0.903	10	0		BCAERL
CCN(CC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000040524357	358239000	/nfs/dbraw/zinc/23/90/00/358239000.db2.gz	TZWXTQCLYXNGDZ-ZETCQYMHSA-N	-2	0	246.263	0.356	10	0		BCAERL
O=C([O-])[C@H]1CCCC(C(=O)[O-])(C(=O)[O-])C1	ZINC000139130749	369016379	/nfs/dbraw/zinc/01/63/79/369016379.db2.gz	CZZHUWSYXHCJBJ-YFKPBYRVSA-N	-3	0	216.189	0.417	10	0		BCAERL
O=C([O-])C[C@@](O)(C(=O)[O-])c1ccccc1	ZINC000039223597	182481142	/nfs/dbraw/zinc/48/11/42/182481142.db2.gz	REDMBNQXBOTRET-JTQLQIEISA-N	-2	0	210.185	0.434	10	0		BCAERL
O=C([O-])C[C@H]1C=CCS[C@H]1C(=O)[O-]	ZINC000075602481	182484631	/nfs/dbraw/zinc/48/46/31/182484631.db2.gz	MDZXSYHJWMMFCE-IYSWYEEDSA-N	-2	0	202.231	0.834	10	0		BCAERL
O=C([O-])c1cc(C(=O)[O-])nc(N2CCCC2)n1	ZINC000072417281	182554010	/nfs/dbraw/zinc/55/40/10/182554010.db2.gz	PAQPQEXVESWYGB-UHFFFAOYSA-N	-2	0	237.215	0.473	10	0		BCAERL
O=C([O-])c1n[n-]n(Cc2ccccc2)c1=O	ZINC000039643928	182597820	/nfs/dbraw/zinc/59/78/20/182597820.db2.gz	UTIHNMCZTVCQCH-UHFFFAOYSA-N	-2	0	219.200	0.730	10	0		BCAERL
CCC[C@@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000001568176	169395368	/nfs/dbraw/zinc/39/53/68/169395368.db2.gz	NQTWROONGPTVIQ-SCSAIBSYSA-N	-2	0	213.155	0.918	10	0		BCAERL
O=C([O-])c1cnc2cc(C(=O)[O-])ccn12	ZINC000089202166	383943073	/nfs/dbraw/zinc/94/30/73/383943073.db2.gz	IYXDCOGJDNIREP-UHFFFAOYSA-N	-2	0	206.157	0.731	10	0		BCAERL
O=C([O-])C[C@@H]1N=C(Nc2ccccc2)N=C1[O-]	ZINC000072416561	384118084	/nfs/dbraw/zinc/11/80/84/384118084.db2.gz	UBFXQDPEFMWFBT-QMMMGPOBSA-N	-2	0	233.227	0.428	10	0		BCAERL
O=C([O-])[C@H](O)c1cc(O)c(F)cc1F	ZINC000258260255	384555763	/nfs/dbraw/zinc/55/57/63/384555763.db2.gz	YKLHUYAESWTKGG-SSDOTTSWSA-N	-2	0	204.128	0.788	10	0		BCAERL
C[C@]1(C(=O)[O-])C=CC(N)=C[C@]1(C)C(=O)[O-]	ZINC000100055334	384612520	/nfs/dbraw/zinc/61/25/20/384612520.db2.gz	QCKVEVPISQSMQP-NXEZZACHSA-N	-2	0	211.217	0.581	10	0		BCAERL
O=C([O-])[C@H](O)c1cc([S-])c(O)cc1F	ZINC000575705844	384795242	/nfs/dbraw/zinc/79/52/42/384795242.db2.gz	OWKRQKXUTTWYLZ-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])c1ncc(Cl)c(C(=O)[O-])n1	ZINC000214088083	385803788	/nfs/dbraw/zinc/80/37/88/385803788.db2.gz	MPBGRCFGLFDYIX-UHFFFAOYSA-N	-2	0	202.553	0.526	10	0		BCAERL
O=C([O-])COC(=O)c1ccccc1C(=O)[O-]	ZINC000060221109	386381969	/nfs/dbraw/zinc/38/19/69/386381969.db2.gz	SWYJHJPNXKOMKD-UHFFFAOYSA-N	-2	0	224.168	0.626	10	0	in-vitro	BCAERL
CC(C)C1OCC(C(=O)[O-])(C(=O)[O-])CO1	ZINC000077301421	166758382	/nfs/dbraw/zinc/75/83/82/166758382.db2.gz	GRDWUAJVJQKXCX-UHFFFAOYSA-N	-2	0	218.205	0.171	10	0	in-vitro	BCAERL
CCn1c(C(=O)[O-])c2c(c1C(=O)[O-])OCCO2	ZINC000211730453	172132893	/nfs/dbraw/zinc/13/28/93/172132893.db2.gz	HBEBNZAIGIMPJQ-UHFFFAOYSA-N	-2	0	241.199	0.676	10	0		BCAERL
C[C@H]1CC(=O)C[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000098209826	177061479	/nfs/dbraw/zinc/06/14/79/177061479.db2.gz	FTECSEOMYYNPLN-JSKYLQRQSA-N	-2	0	200.190	0.387	10	0		BCAERL
Cc1ccccc1-n1nnc(C(=O)[O-])c1C(=O)[O-]	ZINC000057353649	525036700	/nfs/dbraw/zinc/03/67/00/525036700.db2.gz	BYNITIBJEMRQSU-UHFFFAOYSA-N	-2	0	247.210	0.972	10	0		BCAERL
O=C([O-])c1cccc2c1O[C@](O)(C(=O)[O-])C=C2	ZINC000004655009	560199387	/nfs/dbraw/zinc/19/93/87/560199387.db2.gz	QTUUVCOZQOTVCR-NSHDSACASA-N	-2	0	236.179	0.564	10	0	in-vitro	BCAERL
CC[C@@H](C(=O)[O-])n1cc(N)c(C(=O)[O-])n1	ZINC000229712608	538940214	/nfs/dbraw/zinc/94/02/14/538940214.db2.gz	GNXITMVAVOKYGY-YFKPBYRVSA-N	-2	0	213.193	0.199	10	0		BCAERL
O=C([O-])CCOCCCOCCC(=O)[O-]	ZINC000001584906	342704593	/nfs/dbraw/zinc/70/45/93/342704593.db2.gz	IJSFQTQPYISNEF-UHFFFAOYSA-N	-2	0	220.221	0.359	10	0		BCAERL
O=C([O-])c1cnc(C[C@H]2CCCO2)[nH]c1=O	ZINC000050102985	539010240	/nfs/dbraw/zinc/01/02/40/539010240.db2.gz	OMUOMGOCNYKOBE-ZCFIWIBFSA-N	-2	0	224.216	0.190	10	0		BCAERL
O=C([O-])c1n[nH]c2cccc(C(=O)[O-])c21	ZINC000014984565	342890124	/nfs/dbraw/zinc/89/01/24/342890124.db2.gz	OURCZCQCVGCRTL-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
CC1(C)OC[C@@H](COP(=O)([O-])[O-])O1	ZINC000009970255	187250031	/nfs/dbraw/zinc/25/00/31/187250031.db2.gz	JUPNVAYKUHWAKQ-YFKPBYRVSA-N	-2	0	212.138	0.247	10	0		BCAERL
O=C([O-])C[C@@H](C(=O)[O-])C1CCOCC1	ZINC000145818998	343269022	/nfs/dbraw/zinc/26/90/22/343269022.db2.gz	IAHMSIHNSSJXDQ-SSDOTTSWSA-N	-2	0	202.206	0.589	10	0		BCAERL
O=C([O-])c1cc(=O)c2c(O)cc([O-])cc2o1	ZINC000040979341	343411983	/nfs/dbraw/zinc/41/19/83/343411983.db2.gz	HGXKTBKFPFARKV-UHFFFAOYSA-N	-2	0	222.152	0.902	10	0	biogenic,in-vitro	BCAERL
N#Cc1c([O-])c([N+](=O)[O-])ccc1CC(=O)[O-]	ZINC000396140262	344615667	/nfs/dbraw/zinc/61/56/67/344615667.db2.gz	YBYONNJAYGAQEX-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([O-])cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396155003	344626879	/nfs/dbraw/zinc/62/68/79/344626879.db2.gz	FJVGVPAXYQWTHY-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
O=C([O-])C(=O)c1cccc(C(=O)C(=O)[O-])c1	ZINC000028979256	187320703	/nfs/dbraw/zinc/32/07/03/187320703.db2.gz	RSTWIZZMDAKQGV-UHFFFAOYSA-N	-2	0	222.152	0.221	10	0		BCAERL
O=C([O-])C[C@@](O)(C(=O)[O-])C1CCCCC1	ZINC000725260796	538084599	/nfs/dbraw/zinc/08/45/99/538084599.db2.gz	ZNQBRZNCAYWSAV-JTQLQIEISA-N	-2	0	216.233	0.857	10	0		BCAERL
Nc1ccc(CC(=O)[O-])c(CC(=O)[O-])c1	ZINC000021985640	350720971	/nfs/dbraw/zinc/72/09/71/350720971.db2.gz	FTZBYZFGNUMICJ-UHFFFAOYSA-N	-2	0	209.201	0.523	10	0		BCAERL
C[C@@H](CC(C)(C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000140061934	353109231	/nfs/dbraw/zinc/10/92/31/353109231.db2.gz	GKJYHTGGXDEYSU-BYPYZUCNSA-N	-3	0	204.178	0.273	10	0		BCAERL
O=C([O-])c1cc([S@](=O)[O-])cc2c1OCCO2	ZINC000675061421	538486580	/nfs/dbraw/zinc/48/65/80/538486580.db2.gz	VLTJSQCMCAOHSL-UHFFFAOYSA-N	-2	0	244.224	0.737	10	0		BCAERL
COc1ccc([S@](=O)[O-])cc1CC(=O)[O-]	ZINC000675062431	538488610	/nfs/dbraw/zinc/48/86/10/538488610.db2.gz	SSCAYAGTSILIKW-UHFFFAOYSA-N	-2	0	230.241	0.903	10	0		BCAERL
O=C([O-])c1cccc(C(=O)[O-])c1-c1c[nH]nn1	ZINC000584639246	358324482	/nfs/dbraw/zinc/32/44/82/358324482.db2.gz	HPSZQRZCLMKAEH-UHFFFAOYSA-N	-2	0	233.183	0.868	10	0		BCAERL
O=C([O-])C[C@@](O)(C(=O)[O-])C1CCCC1	ZINC000725259529	541333707	/nfs/dbraw/zinc/33/37/07/541333707.db2.gz	DENAXNJLACWSIZ-VIFPVBQESA-N	-2	0	202.206	0.467	10	0		BCAERL
Cc1c(C)c(=O)n(CCC(=O)[O-])[n-]c1=O	ZINC000071170462	374253030	/nfs/dbraw/zinc/25/30/30/374253030.db2.gz	KFIMJZWKIZDPFO-UHFFFAOYSA-N	-2	0	212.205	0.040	10	0		BCAERL
O=C([O-])C(=O)Nc1cscc1C(=O)[O-]	ZINC000013491446	182421189	/nfs/dbraw/zinc/42/11/89/182421189.db2.gz	DXXVPXUZWMHWQJ-UHFFFAOYSA-N	-2	0	215.186	0.469	10	0		BCAERL
O=C([O-])C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003597302	182421213	/nfs/dbraw/zinc/42/12/13/182421213.db2.gz	QHLBZSTXMLUZKR-UHFFFAOYSA-N	-2	0	209.157	0.408	10	0	in-vitro	BCAERL
O=C([O-])CCc1cnc(CCC(=O)[O-])cn1	ZINC000084397668	182455572	/nfs/dbraw/zinc/45/55/72/182455572.db2.gz	LPCBENZWRKDJSS-UHFFFAOYSA-N	-2	0	224.216	0.511	10	0		BCAERL
CCCCc1nc2c([nH]1)c(=O)[nH][n-]c2=O	ZINC000006419795	169027142	/nfs/dbraw/zinc/02/71/42/169027142.db2.gz	DQHJYYALMHIEAH-UHFFFAOYSA-N	-2	0	208.221	0.282	10	0	in-vivo	BCAERL
C[C@@]1(C(=O)[O-])C=C(N)C=C[C@]1(C)C(=O)[O-]	ZINC000100055330	384612190	/nfs/dbraw/zinc/61/21/90/384612190.db2.gz	QCKVEVPISQSMQP-ZJUUUORDSA-N	-2	0	211.217	0.581	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc([S-])cc(F)c1O	ZINC000575706168	387410764	/nfs/dbraw/zinc/41/07/64/387410764.db2.gz	SIRYZAOGWWZAKW-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])C1=CC[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000575460925	397945031	/nfs/dbraw/zinc/94/50/31/397945031.db2.gz	KOTOSMLZQOZRBC-YFKPBYRVSA-N	-2	0	223.150	0.838	10	0		BCAERL
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000096895332	166658269	/nfs/dbraw/zinc/65/82/69/166658269.db2.gz	BFOGWYCWALBEPH-OLQVQODUSA-N	-2	0	245.231	0.534	10	0		BCAERL
O=C([O-])[C@H](O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000238719993	411318589	/nfs/dbraw/zinc/31/85/89/411318589.db2.gz	GXXABXIJXSLWMG-SSDOTTSWSA-N	-2	0	213.145	0.418	10	0		BCAERL
Cc1[n-]n(CC(C)C)c(=O)c1CC(=O)[O-]	ZINC000036905555	168134058	/nfs/dbraw/zinc/13/40/58/168134058.db2.gz	QISURKCELIVTKF-MRVPVSSYSA-N	-2	0	212.249	0.951	10	0		BCAERL
COC1C[C@@H](C(=O)[O-])C[C@H](C(=O)[O-])C1	ZINC000075602220	174036379	/nfs/dbraw/zinc/03/63/79/174036379.db2.gz	SIVQDMMXUSRHKQ-WDSKDSINSA-N	-2	0	202.206	0.587	10	0		BCAERL
C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)[O-]	ZINC000043630541	176005196	/nfs/dbraw/zinc/00/51/96/176005196.db2.gz	DVRAUVGSXKHGTA-RXMQYKEDSA-N	-2	0	225.200	0.819	10	0		BCAERL
Nc1cc(C(=O)[O-])ccc1NCC(=O)[O-]	ZINC000004636297	487951274	/nfs/dbraw/zinc/95/12/74/487951274.db2.gz	FVNBWHXEADMOBN-UHFFFAOYSA-N	-2	0	210.189	0.464	10	0		BCAERL
O=C([O-])c1ccc2c(c1)S(=O)(=O)C=C2[O-]	ZINC000685965778	538912458	/nfs/dbraw/zinc/91/24/58/538912458.db2.gz	SOUUUBNHPMGYCT-UHFFFAOYSA-N	-2	0	226.209	0.355	10	0		BCAERL
O=C([O-])c1cccc(S(=O)(=O)[O-])c1C(=O)[O-]	ZINC000006091728	342773491	/nfs/dbraw/zinc/77/34/91/342773491.db2.gz	SDGNNLQZAPXALR-UHFFFAOYSA-N	-3	0	246.196	0.330	10	0		BCAERL
O=C([O-])[C@@H]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000042040657	361930402	/nfs/dbraw/zinc/93/04/02/361930402.db2.gz	PCGLNKCIMUNMPF-NTSWFWBYSA-N	-2	0	211.221	0.456	10	0		BCAERL
O=C([O-])c1cc(OCCO)cc(C(=O)[O-])c1	ZINC000116476350	342927432	/nfs/dbraw/zinc/92/74/32/342927432.db2.gz	HWIOZYQYVYQVSP-UHFFFAOYSA-N	-2	0	226.184	0.454	10	0		BCAERL
O=C([O-])c1ccc2c([O-])cc(=O)[nH]c2c1	ZINC000045817422	343534996	/nfs/dbraw/zinc/53/49/96/343534996.db2.gz	WDTHBCPWLFEDMS-UHFFFAOYSA-N	-2	0	205.169	0.932	10	0		BCAERL
C/C(=C/c1nsnc1C(=O)[O-])C(=O)[O-]	ZINC000075623339	187277833	/nfs/dbraw/zinc/27/78/33/187277833.db2.gz	WUXVOSUSQQUZHI-IHWYPQMZSA-N	-2	0	214.202	0.724	10	0		BCAERL
N#Cc1c([O-])c(CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000396139916	344614999	/nfs/dbraw/zinc/61/49/99/344614999.db2.gz	WYIHPMWYZCOSBY-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
CCCCCCC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104335376	168644663	/nfs/dbraw/zinc/64/46/63/168644663.db2.gz	ARKVEWKXYLZMSD-UHFFFAOYSA-N	-2	0	245.275	0.955	10	0		BCAERL
COc1ncc(C(CC(=O)[O-])CC(=O)[O-])cn1	ZINC000021989981	187591403	/nfs/dbraw/zinc/59/14/03/187591403.db2.gz	IDKSRZIGMRTFMJ-UHFFFAOYSA-N	-2	0	240.215	0.518	10	0		BCAERL
O=C([O-])c1cccc2[nH]c(S(=O)(=O)[O-])nc21	ZINC000057354167	188258699	/nfs/dbraw/zinc/25/86/99/188258699.db2.gz	MQANDMDKRYNQIO-UHFFFAOYSA-N	-2	0	242.212	0.508	10	0		BCAERL
O=C([O-])c1ncccc1C[P@](=O)([O-])O	ZINC000003581239	188275192	/nfs/dbraw/zinc/27/51/92/188275192.db2.gz	ROSWJUKEABEPFJ-UHFFFAOYSA-N	-2	0	217.117	0.458	10	0	in-vivo	BCAERL
CC(C)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005360219	355760583	/nfs/dbraw/zinc/76/05/83/355760583.db2.gz	HCVIJONZMYVLAW-ZETCQYMHSA-N	-2	0	231.248	0.467	10	0	endogenous,in-man	BCAERL
CCC[C@H](C)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260109	541334666	/nfs/dbraw/zinc/33/46/66/541334666.db2.gz	NYSKOAZNQYYHDC-IMTBSYHQSA-N	-2	0	204.222	0.713	10	0		BCAERL
O=C([O-])c1cc(O)c(C(=O)[O-])c(C(=O)[O-])c1	ZINC000060223014	369466899	/nfs/dbraw/zinc/46/68/99/369466899.db2.gz	ZMPSHRMZKUPMOM-UHFFFAOYSA-N	-3	0	226.140	0.487	10	0		BCAERL
O=C([O-])c1c[nH]n(-c2ccncc2)c1=O	ZINC000133067832	371981157	/nfs/dbraw/zinc/98/11/57/371981157.db2.gz	AXRXDTCWKKEHPX-UHFFFAOYSA-N	-2	0	205.173	0.671	10	0		BCAERL
Cn1cc(CC2CC(C(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000606303509	372092767	/nfs/dbraw/zinc/09/27/67/372092767.db2.gz	QTENFFNBMSZEMY-UHFFFAOYSA-N	-2	0	238.243	0.528	10	0		BCAERL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cl)cc1	ZINC000008576128	182571546	/nfs/dbraw/zinc/57/15/46/182571546.db2.gz	WGHSWNHOFPGMKJ-UHFFFAOYSA-N	-2	0	235.648	0.817	10	0	in-man	BCAERL
O=C([O-])c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000089195022	182573949	/nfs/dbraw/zinc/57/39/49/182573949.db2.gz	KRBTZLBCIHRRPY-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])C[P@@](=O)([O-])c1ccccc1	ZINC000003190908	383999396	/nfs/dbraw/zinc/99/93/96/383999396.db2.gz	FGALVVBOIVDPLP-UHFFFAOYSA-N	-2	0	200.130	0.667	10	0		BCAERL
O=C([O-])c1cn2ccc(C(=O)[O-])cc2n1	ZINC000075408928	384324411	/nfs/dbraw/zinc/32/44/11/384324411.db2.gz	QSCBTXSRXOGDOH-UHFFFAOYSA-N	-2	0	206.157	0.731	10	0		BCAERL
O=C([O-])CC(O)(CC(=O)[O-])[C@@H]1CCCSC1	ZINC000077301047	384914285	/nfs/dbraw/zinc/91/42/85/384914285.db2.gz	STAOKVVUNYHPBV-SSDOTTSWSA-N	-2	0	248.300	0.810	10	0	in-vitro	BCAERL
O=C([O-])[C@H](O)c1cc([S-])cc(F)c1O	ZINC000575706166	387410489	/nfs/dbraw/zinc/41/04/89/387410489.db2.gz	SIRYZAOGWWZAKW-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
NS(=O)(=O)c1c([O-])cc(F)cc1[S-]	ZINC000575705765	387410941	/nfs/dbraw/zinc/41/09/41/387410941.db2.gz	MXUAVCIUILBBET-UHFFFAOYSA-N	-2	0	223.250	0.467	10	0		BCAERL
O=C([O-])c1c[n-]n(Cc2ccccc2)c1=O	ZINC000133062621	388376694	/nfs/dbraw/zinc/37/66/94/388376694.db2.gz	NVPINFORLVBKFR-SECBINFHSA-N	-2	0	218.212	0.715	10	0		BCAERL
CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263550089	135359823	/nfs/dbraw/zinc/35/98/23/135359823.db2.gz	KAXHDBIHJYPYMY-NTSWFWBYSA-N	-2	0	217.221	0.077	10	0		BCAERL
Cc1[n-]n(-c2ccccn2)c(=O)c1CC(=O)[O-]	ZINC000034972626	168135059	/nfs/dbraw/zinc/13/50/59/168135059.db2.gz	UMNFOIBNIRWCNK-QMMMGPOBSA-N	-2	0	233.227	0.895	10	0		BCAERL
Cc1[n-]n(-c2ncccn2)c(=O)c1CC(=O)[O-]	ZINC000035728329	168135303	/nfs/dbraw/zinc/13/53/03/168135303.db2.gz	GKLJITMWRDXUPQ-ZETCQYMHSA-N	-2	0	234.215	0.290	10	0		BCAERL
Cc1[n-]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000102361992	168135431	/nfs/dbraw/zinc/13/54/31/168135431.db2.gz	PLORMQOECIJDNB-SECBINFHSA-N	-2	0	233.227	0.895	10	0		BCAERL
CCOC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002036232	170243373	/nfs/dbraw/zinc/24/33/73/170243373.db2.gz	WQTVQSGHEBLPPP-RXMQYKEDSA-N	-2	0	219.193	0.051	10	0		BCAERL
COc1ccc(-n2nc(C(=O)[O-])[n-]c2=O)cc1	ZINC000020272442	175044949	/nfs/dbraw/zinc/04/49/49/175044949.db2.gz	ZIQNBVZKZRXORC-UHFFFAOYSA-N	-2	0	235.199	0.680	10	0		BCAERL
C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000049356213	175845486	/nfs/dbraw/zinc/84/54/86/175845486.db2.gz	PRUNIQLZVGJVRL-CSMHCCOUSA-N	-2	0	241.243	0.243	10	0		BCAERL
CC[C@H](C(=O)[O-])n1cc(N)c(C(=O)[O-])n1	ZINC000229712614	538939884	/nfs/dbraw/zinc/93/98/84/538939884.db2.gz	GNXITMVAVOKYGY-RXMQYKEDSA-N	-2	0	213.193	0.199	10	0		BCAERL
CCCCC[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000034502282	538954401	/nfs/dbraw/zinc/95/44/01/538954401.db2.gz	QRXKEYMWUCJOKS-RQJHMYQMSA-N	-2	0	204.222	0.713	10	0		BCAERL
CC1(C)OC[C@H](COP(=O)([O-])[O-])O1	ZINC000009970256	342830170	/nfs/dbraw/zinc/83/01/70/342830170.db2.gz	JUPNVAYKUHWAKQ-RXMQYKEDSA-N	-2	0	212.138	0.247	10	0		BCAERL
CCN(CC)c1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000050103006	539010468	/nfs/dbraw/zinc/01/04/68/539010468.db2.gz	VSRPAKPSZFUDNH-UHFFFAOYSA-N	-2	0	211.221	0.314	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])c([O-])cc1[N+](=O)[O-]	ZINC000396148168	344621465	/nfs/dbraw/zinc/62/14/65/344621465.db2.gz	MKTAETIEHNFXNH-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1ccc([N+](=O)[O-])c([O-])c1CC(=O)[O-]	ZINC000396151240	344624255	/nfs/dbraw/zinc/62/42/55/344624255.db2.gz	QQJHURBJRRZBOZ-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1ccc([O-])c([N+](=O)[O-])c1C(=O)[O-]	ZINC000396156631	344628001	/nfs/dbraw/zinc/62/80/01/344628001.db2.gz	HUKTTWBDLAZNAF-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
Cc1cccc([C@@](O)(CC(=O)[O-])C(=O)[O-])c1	ZINC000675052658	537859753	/nfs/dbraw/zinc/85/97/53/537859753.db2.gz	CFHYKWMDYQZWFU-NSHDSACASA-N	-2	0	224.212	0.742	10	0		BCAERL
COc1ccc(P(=O)([O-])[O-])cc1N	ZINC000141451663	345860707	/nfs/dbraw/zinc/86/07/07/345860707.db2.gz	ADEXNPNSGDGRGU-UHFFFAOYSA-N	-2	0	203.134	0.080	10	0		BCAERL
O=c1nc([O-])c(=O)[n-]n1CCCc1ccccc1	ZINC000143758834	350053135	/nfs/dbraw/zinc/05/31/35/350053135.db2.gz	AFZTWLMBURQCEB-UHFFFAOYSA-N	-2	0	247.254	0.270	10	0		BCAERL
Cc1nc2cc[n-]n2c(=O)c1CC(=O)[O-]	ZINC000238856402	180108567	/nfs/dbraw/zinc/10/85/67/180108567.db2.gz	VYDSMJPBXSJXTQ-UHFFFAOYSA-N	-2	0	207.189	0.370	10	0		BCAERL
Cc1[nH]c2nc(=O)[n-]c(=O)c-2cc1C(=O)[O-]	ZINC000072416812	180114545	/nfs/dbraw/zinc/11/45/45/180114545.db2.gz	CTBXLPAGDVPEAE-UHFFFAOYSA-N	-2	0	221.172	0.030	10	0		BCAERL
O=C([O-])C[C@](O)(C(=O)[O-])C1CCCCC1	ZINC000725260797	538083665	/nfs/dbraw/zinc/08/36/65/538083665.db2.gz	ZNQBRZNCAYWSAV-SNVBAGLBSA-N	-2	0	216.233	0.857	10	0		BCAERL
CCc1cc(=O)n2[n-]c(C(=O)[O-])cc2n1	ZINC000084303740	538529292	/nfs/dbraw/zinc/52/92/92/538529292.db2.gz	BJAARILZCIJOGU-UHFFFAOYSA-N	-2	0	207.189	0.283	10	0		BCAERL
CCCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263554156	534919015	/nfs/dbraw/zinc/91/90/15/534919015.db2.gz	NBLXPOXUPRUVFB-NKWVEPMBSA-N	-2	0	231.248	0.467	10	0		BCAERL
CC(C)(C)OC(=O)N1NC(=O)C[C@H]1C(=O)[O-]	ZINC000685939188	538886561	/nfs/dbraw/zinc/88/65/61/538886561.db2.gz	YIPOXHSWZMXERO-YFKPBYRVSA-N	-2	0	230.220	0.112	10	0		BCAERL
CC(C)(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000222022843	259486140	/nfs/dbraw/zinc/48/61/40/259486140.db2.gz	VMWJGTKDJFMTFZ-SCSAIBSYSA-N	-3	0	204.178	0.273	10	0		BCAERL
O=C([O-])[C@@H]1CCCC(C(=O)[O-])(C(=O)[O-])C1	ZINC000139130865	361575314	/nfs/dbraw/zinc/57/53/14/361575314.db2.gz	CZZHUWSYXHCJBJ-RXMQYKEDSA-N	-3	0	216.189	0.417	10	0		BCAERL
O=C([O-])CCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000037792776	182445817	/nfs/dbraw/zinc/44/58/17/182445817.db2.gz	FFKFALLZCSJIIZ-UHFFFAOYSA-N	-2	0	243.259	0.612	10	0		BCAERL
O=C([O-])CC[C@H](NC(=O)c1ccco1)C(=O)[O-]	ZINC000037387470	182452150	/nfs/dbraw/zinc/45/21/50/182452150.db2.gz	GOSCHUJKDNCSQF-LURJTMIESA-N	-2	0	241.199	0.327	10	0		BCAERL
O=C([O-])CNC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000032500488	182464415	/nfs/dbraw/zinc/46/44/15/182464415.db2.gz	CUXXFRNNOOVDML-UHFFFAOYSA-N	-2	0	238.199	0.591	10	0		BCAERL
O=C([O-])[C@@H]1CCCN1NC(=S)[S-]	ZINC000114375367	182511186	/nfs/dbraw/zinc/51/11/86/182511186.db2.gz	RQESZFLTOIRLTO-BYPYZUCNSA-N	-2	0	206.292	0.255	10	0		BCAERL
O=C([O-])Cc1cccc2[nH]c(C(=O)[O-])nc21	ZINC000089195125	383941266	/nfs/dbraw/zinc/94/12/66/383941266.db2.gz	WSOZTBZEVGTGLN-UHFFFAOYSA-N	-2	0	220.184	0.888	10	0		BCAERL
O=C([O-])Cc1ccc(OS(=O)(=O)[O-])c(O)c1	ZINC000003650360	384023166	/nfs/dbraw/zinc/02/31/66/384023166.db2.gz	ZQTJTTSZJNFQGJ-UHFFFAOYSA-N	-2	0	248.212	0.201	10	0		BCAERL
O=C([O-])CCCCCCC(=O)NCC(=O)[O-]	ZINC000012494607	384322100	/nfs/dbraw/zinc/32/21/00/384322100.db2.gz	HXATVKDSYDWTCX-UHFFFAOYSA-N	-2	0	231.248	0.612	10	0	endogenous,in-man	BCAERL
O=C([O-])c1cc2[nH]c(=O)[nH]c2c([S-])c1	ZINC000095934964	384413087	/nfs/dbraw/zinc/41/30/87/384413087.db2.gz	NJJFZIAWRKRBTN-UHFFFAOYSA-N	-2	0	210.214	0.843	10	0		BCAERL
CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263550092	135359308	/nfs/dbraw/zinc/35/93/08/135359308.db2.gz	KAXHDBIHJYPYMY-WDSKDSINSA-N	-2	0	217.221	0.077	10	0		BCAERL
C[C@@H](CNC(=S)[S-])NC(=S)[S-]	ZINC000002019893	175730962	/nfs/dbraw/zinc/73/09/62/175730962.db2.gz	IJIHYLHFNAWUGR-VKHMYHEASA-N	-2	0	226.417	0.984	10	0	in-vitro	BCAERL
C[C@]1(C(=O)[O-])[C@H]2CC[C@H](O2)[C@@]1(C)C(=O)[O-]	ZINC000003871852	176528307	/nfs/dbraw/zinc/52/83/07/176528307.db2.gz	NMTNUQBORQILRK-YUMGAWCOSA-N	-2	0	214.217	0.729	10	0		BCAERL
CN(CCC(=O)[O-])c1cnc(C(=O)[O-])cn1	ZINC000262969325	536312725	/nfs/dbraw/zinc/31/27/25/536312725.db2.gz	AWHAEYIUCSFUJF-UHFFFAOYSA-N	-2	0	225.204	0.086	10	0		BCAERL
O=C([O-])C1=N[C@@H](C(=O)[O-])CCSC1	ZINC000005134376	571688119	/nfs/dbraw/zinc/68/81/19/571688119.db2.gz	XJUQJVUYGRTQGI-SCSAIBSYSA-N	-2	0	203.219	0.102	10	0	endogenous,in-man	BCAERL
O=C([O-])C=Cc1c(=O)[nH]c2ncccc2c1[O-]	ZINC000083327822	644402530	/nfs/dbraw/zinc/40/25/30/644402530.db2.gz	ACWBKWQVDPRBDG-ARJAWSKDSA-N	-2	0	232.195	0.727	10	0		BCAERL
COC[C@@H](C)Cc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000404257090	538955046	/nfs/dbraw/zinc/95/50/46/538955046.db2.gz	OVURLYYEFNZJLC-LURJTMIESA-N	-2	0	226.232	0.705	10	0		BCAERL
O=C([O-])C[C@H](C(=O)[O-])C1CCOCC1	ZINC000145818800	342763385	/nfs/dbraw/zinc/76/33/85/342763385.db2.gz	IAHMSIHNSSJXDQ-ZETCQYMHSA-N	-2	0	202.206	0.589	10	0		BCAERL
O=C([O-])Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000147596304	342777334	/nfs/dbraw/zinc/77/73/34/342777334.db2.gz	VONQLAHOKFFWJU-UHFFFAOYSA-N	-2	0	239.183	0.849	10	0		BCAERL
CC(=O)SC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000034528314	343274217	/nfs/dbraw/zinc/27/42/17/343274217.db2.gz	XFCUZVSVGRNFOR-YFKPBYRVSA-N	-2	0	206.219	0.442	10	0		BCAERL
C/C=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013491786	343320055	/nfs/dbraw/zinc/32/00/55/343320055.db2.gz	VPTVZDVITVNLTM-IHWYPQMZSA-N	-3	0	232.065	0.789	10	0		BCAERL
CC1(C)O[C@](C)(C(=O)[O-])[C@@](C)(C(=O)[O-])O1	ZINC000039953605	343394372	/nfs/dbraw/zinc/39/43/72/343394372.db2.gz	LSAIIAKZVXFJOH-RKDXNWHRSA-N	-2	0	218.205	0.456	10	0		BCAERL
O=C([O-])c1cccc2cc([O-])c(=O)[nH]c21	ZINC000045817439	343534960	/nfs/dbraw/zinc/53/49/60/343534960.db2.gz	BXTVBYCGAGJOPF-UHFFFAOYSA-N	-2	0	205.169	0.932	10	0		BCAERL
Cc1cc(C(=O)[O-])c(O)c([S@](=O)[O-])c1	ZINC000238527226	537819781	/nfs/dbraw/zinc/81/97/81/537819781.db2.gz	VXIYPHPVBIJAEN-UHFFFAOYSA-N	-2	0	216.214	0.979	10	0		BCAERL
O=C([O-])[C@H](CO)N(Cc1ccccc1)C(=O)[O-]	ZINC000097974145	344042759	/nfs/dbraw/zinc/04/27/59/344042759.db2.gz	OVEGACHVDFYAQI-VIFPVBQESA-N	-2	0	239.227	0.612	10	0		BCAERL
O=C([O-])[C@@H](Cc1cccnc1)[P@](=O)([O-])O	ZINC000028866169	344420217	/nfs/dbraw/zinc/42/02/17/344420217.db2.gz	OKYPCMVDMTZBEX-SSDOTTSWSA-N	-2	0	231.144	0.255	10	0		BCAERL
N#Cc1cc(C=O)c([O-])cc1CC(=O)[O-]	ZINC000396135070	344612636	/nfs/dbraw/zinc/61/26/36/344612636.db2.gz	GXXYMHUFLDZSAH-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
CC1(C)[C@H](C(=O)[O-])C[C@@H]1[C@@H](O)C(=O)[O-]	ZINC000238210984	344989508	/nfs/dbraw/zinc/98/95/08/344989508.db2.gz	HSWWMFKTGRZTDT-NGJCXOISSA-N	-2	0	202.206	0.179	10	0		BCAERL
C[C@H](C(=O)[O-])c1nc[n-]c(=O)c1Cl	ZINC000167017695	346183441	/nfs/dbraw/zinc/18/34/41/346183441.db2.gz	RUMQGFFQEKPCIM-VKHMYHEASA-N	-2	0	202.597	0.611	10	0		BCAERL
CCN(CC)C(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000170311404	346413706	/nfs/dbraw/zinc/41/37/06/346413706.db2.gz	GQRYEBGRMDJEQR-ZETCQYMHSA-N	-2	0	246.263	0.213	10	0		BCAERL
Cn1c([O-])cc(C(F)(F)F)c(C(=O)[O-])c1=O	ZINC000616576942	349098487	/nfs/dbraw/zinc/09/84/87/349098487.db2.gz	QZQAFIIFLCPYRV-UHFFFAOYSA-N	-2	0	237.133	0.808	10	0		BCAERL
O=C([O-])c1cc2cc(C(=O)[O-])c[nH]c-2n1	ZINC000095919929	350666902	/nfs/dbraw/zinc/66/69/02/350666902.db2.gz	MSQWBYWPZWYELP-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
Cn1ncc2cc(C(=O)[O-])c(C(=O)[O-])nc21	ZINC000034156748	180827837	/nfs/dbraw/zinc/82/78/37/180827837.db2.gz	FPJANZSAEGDDAS-UHFFFAOYSA-N	-2	0	221.172	0.365	10	0		BCAERL
CC1(C)SC(C(=O)[O-])=CN=C1C(=O)[O-]	ZINC000031541745	188271458	/nfs/dbraw/zinc/27/14/58/188271458.db2.gz	JTNYBEXNIHETSP-UHFFFAOYSA-N	-2	0	215.230	0.963	10	0		BCAERL
NC(=O)c1c([O-])[n-]c2cc(Cl)ccc2c1=O	ZINC000013833634	181286469	/nfs/dbraw/zinc/28/64/69/181286469.db2.gz	AUCZTESNKBYXQA-UHFFFAOYSA-N	-2	0	238.630	0.986	10	0		BCAERL
O=C([O-])c1cccn1C[C@H]1CCO[C@@H]1C(=O)[O-]	ZINC000675058490	538481548	/nfs/dbraw/zinc/48/15/48/538481548.db2.gz	JAMJQRXAQFFLBZ-APPZFPTMSA-N	-2	0	239.227	0.676	10	0		BCAERL
Cc1nc(=O)c2sc(C(=O)[O-])cc2[nH]1	ZINC000224970280	364452370	/nfs/dbraw/zinc/45/23/70/364452370.db2.gz	JOFFIXDALVOFLU-UHFFFAOYSA-N	-2	0	210.214	0.991	10	0		BCAERL
O=C([O-])COc1ccc([S@@](=O)[O-])cc1	ZINC000196841586	541514434	/nfs/dbraw/zinc/51/44/34/541514434.db2.gz	YTCPCOGWZHWFGU-UHFFFAOYSA-N	-2	0	216.214	0.731	10	0		BCAERL
C[C@@H]1CN(C(=O)CCC(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000382269167	367503215	/nfs/dbraw/zinc/50/32/15/367503215.db2.gz	YURSVOHIEOTMCU-RNFRBKRXSA-N	-2	0	229.232	0.030	10	0		BCAERL
COc1cccc2c1c([O-])c(C(=O)[O-])c(=O)n2C	ZINC000148512900	368351177	/nfs/dbraw/zinc/35/11/77/368351177.db2.gz	NAHJLLJQGJMMRD-UHFFFAOYSA-N	-2	0	249.222	0.951	10	0		BCAERL
O=C([O-])CSc1snnc1C(=O)[O-]	ZINC000003770884	182475228	/nfs/dbraw/zinc/47/52/28/182475228.db2.gz	UWYZOARAIKHCHP-UHFFFAOYSA-N	-2	0	220.231	0.413	10	0		BCAERL
O=c1cc([O-])nc2c(Br)c[n-]n21	ZINC000071475499	183261595	/nfs/dbraw/zinc/26/15/95/183261595.db2.gz	YEKFCEYLMULEEQ-UHFFFAOYSA-N	-2	0	230.021	0.903	10	0		BCAERL
C[C@@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000002507917	383966004	/nfs/dbraw/zinc/96/60/04/383966004.db2.gz	LPJYMIDYZUKJJK-ZCFIWIBFSA-N	-2	0	237.211	0.588	10	0		BCAERL
Cn1cc(C(=O)[O-])c2cc(C(=O)[O-])cnc21	ZINC000095937188	384417506	/nfs/dbraw/zinc/41/75/06/384417506.db2.gz	CTCRWUIFSFFRMW-UHFFFAOYSA-N	-2	0	220.184	0.970	10	0		BCAERL
NS(=O)(=O)c1c([O-])cc([S-])cc1F	ZINC000575705276	384793757	/nfs/dbraw/zinc/79/37/57/384793757.db2.gz	HMBFKDIGJKYQTE-UHFFFAOYSA-N	-2	0	223.250	0.467	10	0		BCAERL
O=C([O-])c1cnc2cccc(C(=O)[O-])n12	ZINC000084305066	384858285	/nfs/dbraw/zinc/85/82/85/384858285.db2.gz	JLRFAJRMSVHOJM-UHFFFAOYSA-N	-2	0	206.157	0.731	10	0		BCAERL
O=C([O-])c1cnc(-c2ccco2)[nH]c1=O	ZINC000054456594	385557090	/nfs/dbraw/zinc/55/70/90/385557090.db2.gz	UXKRCEBENXZLAI-UHFFFAOYSA-N	-2	0	206.157	0.728	10	0		BCAERL
O=C([O-])c1cc2nccc(C(=O)[O-])n2n1	ZINC000536957802	387171113	/nfs/dbraw/zinc/17/11/13/387171113.db2.gz	FKZMTPPEMLXARG-UHFFFAOYSA-N	-2	0	207.145	0.126	10	0		BCAERL
CCCN(CC(=O)[O-])c1cnc(C(=O)[O-])cn1	ZINC000263439822	135354414	/nfs/dbraw/zinc/35/44/14/135354414.db2.gz	WPDBKDQHVDFSSB-UHFFFAOYSA-N	-2	0	239.231	0.476	10	0		BCAERL
O=C([O-])c1cnc(N2CCC[C@H]2C(=O)[O-])cn1	ZINC000263438658	135354829	/nfs/dbraw/zinc/35/48/29/135354829.db2.gz	WGLKDYQLJAEHIA-ZETCQYMHSA-N	-2	0	237.215	0.228	10	0		BCAERL
CCOC(=O)c1ccc(P(=O)([O-])[O-])cc1	ZINC000077312457	170298051	/nfs/dbraw/zinc/29/80/51/170298051.db2.gz	CNSKRLSOPSXLHJ-UHFFFAOYSA-N	-2	0	230.156	0.666	10	0	in-vitro	BCAERL
CC[C@@]1(C(=O)[O-])C(C(=O)[O-])=C(C)ON1C	ZINC000077050350	171197299	/nfs/dbraw/zinc/19/72/99/171197299.db2.gz	XZIQNLVQOSWKMR-VIFPVBQESA-N	-2	0	215.205	0.455	10	0		BCAERL
CN(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000013491444	172295074	/nfs/dbraw/zinc/29/50/74/172295074.db2.gz	TZPJAYRRDSBBBJ-UHFFFAOYSA-N	-2	0	223.184	0.432	10	0		BCAERL
C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-]	ZINC000049356356	176789544	/nfs/dbraw/zinc/78/95/44/176789544.db2.gz	ISDCESGFUDWEKN-ZETCQYMHSA-N	-2	0	243.259	0.611	10	0		BCAERL
COCCOCCC(C)(C(=O)[O-])C(=O)[O-]	ZINC000675052448	583301797	/nfs/dbraw/zinc/30/17/97/583301797.db2.gz	FFRFZCUOSHDPGC-UHFFFAOYSA-N	-2	0	220.221	0.215	10	0		BCAERL
CC(=O)N[C@H](C(=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000756994764	586422053	/nfs/dbraw/zinc/42/20/53/586422053.db2.gz	PRPVZXYVDJEBLJ-VIFPVBQESA-N	-2	0	237.211	0.647	10	0		BCAERL
COc1cc(C(=O)[O-])ccc1[S@](=O)[O-]	ZINC000675062392	640949347	/nfs/dbraw/zinc/94/93/47/640949347.db2.gz	CSBNHPYTRLVKJE-UHFFFAOYSA-N	-2	0	216.214	0.974	10	0		BCAERL
CCC(CC)C(=O)NC(C(=O)[O-])C(=O)[O-]	ZINC000072267209	168336783	/nfs/dbraw/zinc/33/67/83/168336783.db2.gz	JJVPSBMKPFLOJL-UHFFFAOYSA-N	-2	0	217.221	0.077	10	0		BCAERL
Cc1nc2cc(C(=O)[O-])[n-]n2c(=O)c1C	ZINC000229927873	538949108	/nfs/dbraw/zinc/94/91/08/538949108.db2.gz	QCFUFOYALXGVAI-UHFFFAOYSA-N	-2	0	207.189	0.338	10	0		BCAERL
O=C([O-])c1n[nH]c2ccc(C(=O)[O-])cc21	ZINC000014984579	342890126	/nfs/dbraw/zinc/89/01/26/342890126.db2.gz	AELBMCHGLKYEOP-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
CC(C)(O)CCC[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000196927443	343637714	/nfs/dbraw/zinc/63/77/14/343637714.db2.gz	DRPYBSMJJNICPG-SNVBAGLBSA-N	-2	0	234.248	0.218	10	0		BCAERL
CCCCC[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000145175094	537816139	/nfs/dbraw/zinc/81/61/39/537816139.db2.gz	QRXKEYMWUCJOKS-RNFRBKRXSA-N	-2	0	204.222	0.713	10	0		BCAERL
N#Cc1c([O-])ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396140520	344615636	/nfs/dbraw/zinc/61/56/36/344615636.db2.gz	ZBBMNVHVSHERQP-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])cc(C=O)c1[O-]	ZINC000396148183	344621426	/nfs/dbraw/zinc/62/14/26/344621426.db2.gz	MNTYDILDTFEVDO-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
O=C([O-])C[C@@H]1Cc2ccc(O)cc2OC1=O	ZINC000169263491	345839403	/nfs/dbraw/zinc/83/94/03/345839403.db2.gz	VFVPVMREQMEBLA-ZETCQYMHSA-N	-2	0	222.196	0.945	10	0		BCAERL
C[C@@]1(C(=O)[O-])CC[C@@](C)(C(=O)[O-])C1=O	ZINC000222897788	350255321	/nfs/dbraw/zinc/25/53/21/350255321.db2.gz	SWRMXQUCBGGGAO-RKDXNWHRSA-N	-2	0	200.190	0.531	10	0		BCAERL
O=C([O-])c1ccc(S(=O)(=O)[O-])s1	ZINC000222236987	350568771	/nfs/dbraw/zinc/56/87/71/350568771.db2.gz	VYGMSCIUJPPFRV-UHFFFAOYSA-N	-2	0	208.216	0.693	10	0		BCAERL
O=C([O-])N1CCCC[C@@H](c2nnn[n-]2)C1	ZINC000616652955	351187059	/nfs/dbraw/zinc/18/70/59/351187059.db2.gz	KTKGIKHKBVZZQG-ZCFIWIBFSA-N	-2	0	211.225	0.447	10	0		BCAERL
O=C([O-])c1c[nH]c2c1nccc2C(=O)[O-]	ZINC000044713038	352384375	/nfs/dbraw/zinc/38/43/75/352384375.db2.gz	ZBTGXRQGIIKURY-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])c1ccc(Cn2[n-]c(=O)ccc2=O)cc1	ZINC000022176546	188109200	/nfs/dbraw/zinc/10/92/00/188109200.db2.gz	RLNKVTNBNPVFLN-UHFFFAOYSA-N	-2	0	246.222	0.283	10	0		BCAERL
C/C=C(/C[C@@H](C)[C@@](C)(O)C(=O)[O-])C(=O)[O-]	ZINC000003623497	188518786	/nfs/dbraw/zinc/51/87/86/188518786.db2.gz	CEYWPVCZMDVGLZ-BEPFRFAYSA-N	-2	0	216.233	0.879	10	0		BCAERL
CCCCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000028645210	168741289	/nfs/dbraw/zinc/74/12/89/168741289.db2.gz	QRXKEYMWUCJOKS-NKWVEPMBSA-N	-2	0	204.222	0.713	10	0		BCAERL
COc1cc([S@](=O)[O-])cc(C(=O)[O-])c1OC	ZINC000675060243	538486052	/nfs/dbraw/zinc/48/60/52/538486052.db2.gz	VBWFUCBXCPBFFT-UHFFFAOYSA-N	-2	0	246.240	0.983	10	0		BCAERL
O=c1nc2[nH]cc([S@](=O)[O-])cc-2c(=O)[n-]1	ZINC000675061917	538487780	/nfs/dbraw/zinc/48/77/80/538487780.db2.gz	SSGXXRIVCBLZDM-UHFFFAOYSA-N	-2	0	227.201	0.017	10	0		BCAERL
O=C([O-])c1cc(=O)[n-]c(-c2ncco2)n1	ZINC000584637347	358322891	/nfs/dbraw/zinc/32/28/91/358322891.db2.gz	RFAOOSWRZFBTLK-UHFFFAOYSA-N	-2	0	207.145	0.535	10	0		BCAERL
CC(C)(C)C[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000223587286	541335907	/nfs/dbraw/zinc/33/59/07/541335907.db2.gz	MJSZIAIXAOSWND-SECBINFHSA-N	-2	0	204.222	0.713	10	0		BCAERL
CCC(C)(C)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259501	541333797	/nfs/dbraw/zinc/33/37/97/541333797.db2.gz	CQSDYNMXZKMTTE-VIFPVBQESA-N	-2	0	204.222	0.713	10	0		BCAERL
O=P([O-])([O-])c1cccc(-c2ccccn2)n1	ZINC000035653998	368323927	/nfs/dbraw/zinc/32/39/27/368323927.db2.gz	KHRGDPAXGBFKSF-UHFFFAOYSA-N	-2	0	236.167	0.947	10	0		BCAERL
O=C([O-])C1(C(=O)[O-])CC2(C1)CCOC2	ZINC000606302811	372091897	/nfs/dbraw/zinc/09/18/97/372091897.db2.gz	XXBDZNLQOILADS-UHFFFAOYSA-N	-2	0	200.190	0.343	10	0		BCAERL
O=C([O-])[C@H]1C[C@@H](C(=O)[O-])Oc2ccccc2O1	ZINC000039123588	182520204	/nfs/dbraw/zinc/52/02/04/182520204.db2.gz	NPRGCRFFQGAMGH-DTORHVGOSA-N	-2	0	238.195	0.754	10	0		BCAERL
O=C([O-])c1cc(O)cc(OS(=O)(=O)[O-])c1	ZINC000077291877	182557455	/nfs/dbraw/zinc/55/74/55/182557455.db2.gz	NDZHPENMJGDGPX-UHFFFAOYSA-N	-2	0	234.185	0.272	10	0	in-vitro	BCAERL
O=C([O-])c1nnc2c[n-]c(Br)nc1-2	ZINC000089211935	383947138	/nfs/dbraw/zinc/94/71/38/383947138.db2.gz	IMURAMNSGKKMNE-UHFFFAOYSA-N	-2	0	243.020	0.814	10	0		BCAERL
CC(=O)N[C@@H](CSC[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000006020917	384143059	/nfs/dbraw/zinc/14/30/59/384143059.db2.gz	NCVHUCCOTCVUCB-FSPLSTOPSA-N	-2	0	249.288	0.030	10	0		BCAERL
O=C([O-])c1nc2[nH]cccc-2c1C(=O)[O-]	ZINC000095937104	384416959	/nfs/dbraw/zinc/41/69/59/384416959.db2.gz	JAUCWBBRMXGDBE-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
COC(=O)C1=C(CC(=O)[O-])C([O-])=NC1C	ZINC000019851515	384546549	/nfs/dbraw/zinc/54/65/49/384546549.db2.gz	ZAEBEGUUFLRDSD-UHFFFAOYSA-N	-2	0	213.189	0.442	10	0		BCAERL
O=C([O-])c1ccc(/C=C2\NC(=O)[N-]C2=O)cc1	ZINC000033398485	384610829	/nfs/dbraw/zinc/61/08/29/384610829.db2.gz	WUTHPFGNYBVSDZ-YVMONPNESA-N	-2	0	232.195	0.565	10	0		BCAERL
O=C([O-])CC(O)(CC(=O)[O-])[C@H]1CCCSC1	ZINC000077301044	384914481	/nfs/dbraw/zinc/91/44/81/384914481.db2.gz	STAOKVVUNYHPBV-ZETCQYMHSA-N	-2	0	248.300	0.810	10	0	in-vitro	BCAERL
Cc1c(C(=O)[O-])nnn1-c1ccc(C(=O)[O-])cc1	ZINC000062265772	385168788	/nfs/dbraw/zinc/16/87/88/385168788.db2.gz	DCRUWUUZEXZACA-UHFFFAOYSA-N	-2	0	247.210	0.972	10	0		BCAERL
O=C([O-])c1nc2ccc(C(=O)[O-])cc2n1O	ZINC000253570223	385684528	/nfs/dbraw/zinc/68/45/28/385684528.db2.gz	NILJPLLYXBIGTP-UHFFFAOYSA-N	-2	0	222.156	0.670	10	0		BCAERL
C[C@H](C[C@](C)(C(=O)[O-])[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000255004354	385702334	/nfs/dbraw/zinc/70/23/34/385702334.db2.gz	ZRPIGWVJNXHCKL-DGAHNEANSA-N	-3	0	232.232	0.909	10	0		BCAERL
Nc1cc([S@@](=O)[O-])ccc1S(=O)(=O)[O-]	ZINC000165342054	386037953	/nfs/dbraw/zinc/03/79/53/386037953.db2.gz	ZQLPDFATEXNDLQ-UHFFFAOYSA-N	-2	0	237.258	0.096	10	0		BCAERL
O=C([O-])[C@H](O)c1ccc([S-])c(O)c1F	ZINC000575704676	387408388	/nfs/dbraw/zinc/40/83/88/387408388.db2.gz	BGXUHWZLPRNDPP-ZCFIWIBFSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@H](O)c1c(O)cc([S-])cc1F	ZINC000575705497	387410594	/nfs/dbraw/zinc/41/05/94/387410594.db2.gz	JPYBDBOQAKDGJW-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])CSc1nc[n-]c(=O)c1Cl	ZINC000163490207	388380173	/nfs/dbraw/zinc/38/01/73/388380173.db2.gz	OKJVMGYVMBRGNT-UHFFFAOYSA-N	-2	0	220.637	0.600	10	0		BCAERL
CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263550090	135359786	/nfs/dbraw/zinc/35/97/86/135359786.db2.gz	KAXHDBIHJYPYMY-PHDIDXHHSA-N	-2	0	217.221	0.077	10	0		BCAERL
CCC[C@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000263558411	135359987	/nfs/dbraw/zinc/35/99/87/135359987.db2.gz	PQSHNRCPXYDQBG-LURJTMIESA-N	-2	0	239.231	0.840	10	0		BCAERL
O=C([O-])c1cccc(-n2nn[n-]c2=S)c1	ZINC000005731065	397869550	/nfs/dbraw/zinc/86/95/50/397869550.db2.gz	FZLLHXXADRILOZ-UHFFFAOYSA-N	-2	0	222.229	0.649	10	0		BCAERL
CC1(C)C(=O)[C@@]2(C(=O)[O-])CC[C@]1(C(=O)[O-])C2	ZINC000004243197	167877736	/nfs/dbraw/zinc/87/77/36/167877736.db2.gz	KJGNDHQAHQSUMG-GHMZBOCLSA-N	-2	0	226.228	0.921	10	0		BCAERL
CN(CCC(=O)[O-])C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000263565289	536311544	/nfs/dbraw/zinc/31/15/44/536311544.db2.gz	VNCCQBVWIYNMSJ-JGVFFNPUSA-N	-2	0	243.259	0.276	10	0		BCAERL
CC[C@H](C)C[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259396	566305747	/nfs/dbraw/zinc/30/57/47/566305747.db2.gz	AFXOAGMGFOVXCW-IMTBSYHQSA-N	-2	0	204.222	0.713	10	0		BCAERL
CCC(CC)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259427	566306141	/nfs/dbraw/zinc/30/61/41/566306141.db2.gz	BPYZSTAELXAICQ-SECBINFHSA-N	-2	0	204.222	0.713	10	0		BCAERL
Cc1nc2c(C(=O)[O-])c[n-]n2c(=O)c1F	ZINC000258006839	349490579	/nfs/dbraw/zinc/49/05/79/349490579.db2.gz	GURAZZAOQROLSO-UHFFFAOYSA-N	-2	0	211.152	0.581	10	0		BCAERL
COC[C@H](C)Cc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000404257092	538955175	/nfs/dbraw/zinc/95/51/75/538955175.db2.gz	OVURLYYEFNZJLC-ZCFIWIBFSA-N	-2	0	226.232	0.705	10	0		BCAERL
O=C1c2ccccc2C(=O)N1C[P@](=O)([O-])O	ZINC000138116959	342779665	/nfs/dbraw/zinc/77/96/65/342779665.db2.gz	MSOHGLLUPOHZSQ-UHFFFAOYSA-N	-2	0	241.139	0.418	10	0		BCAERL
O=C([O-])[C@H]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000042040655	361929770	/nfs/dbraw/zinc/92/97/70/361929770.db2.gz	PCGLNKCIMUNMPF-WDSKDSINSA-N	-2	0	211.221	0.456	10	0		BCAERL
O=C([O-])c1ccc2[nH]c(=O)cc([O-])c2c1	ZINC000117768082	343015804	/nfs/dbraw/zinc/01/58/04/343015804.db2.gz	RPPMJWDFCWLZHA-UHFFFAOYSA-N	-2	0	205.169	0.932	10	0	in-vitro	BCAERL
O=C([O-])CCSc1nc2c(c(=O)[nH]1)CCC2	ZINC000020396098	343634308	/nfs/dbraw/zinc/63/43/08/343634308.db2.gz	SHAFJEZLWHNHAT-UHFFFAOYSA-N	-2	0	240.284	0.825	10	0		BCAERL
N#Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1[O-]	ZINC000396135946	344613292	/nfs/dbraw/zinc/61/32/92/344613292.db2.gz	KFGUCUGBOIBSNT-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1ccc(CC(=O)[O-])c([O-])c1C=O	ZINC000396147114	344620480	/nfs/dbraw/zinc/62/04/80/344620480.db2.gz	KVOVHRTWBRQDPR-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1ccc([N+](=O)[O-])c([O-])c1C(=O)[O-]	ZINC000396159936	344633010	/nfs/dbraw/zinc/63/30/10/344633010.db2.gz	MUCAXZXAYIIBIT-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
N#Cc1c([O-])ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396162474	344634686	/nfs/dbraw/zinc/63/46/86/344634686.db2.gz	PVBJEYOKBFLTDB-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
O=C([O-])c1cccc(/C=C2/NC(=O)[N-]C2=O)c1	ZINC000215856272	349936587	/nfs/dbraw/zinc/93/65/87/349936587.db2.gz	RRAFKSDUDIFVGQ-VMPITWQZSA-N	-2	0	232.195	0.565	10	0		BCAERL
CC(=O)c1nc(COP(=O)([O-])[O-])c[nH]1	ZINC000143813843	345866821	/nfs/dbraw/zinc/86/68/21/345866821.db2.gz	RTWAJVINAZVKLA-UHFFFAOYSA-N	-2	0	220.121	0.222	10	0		BCAERL
CSCC[C@@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000001568175	346075071	/nfs/dbraw/zinc/07/50/71/346075071.db2.gz	JRGQIDFOMSJLPW-SCSAIBSYSA-N	-2	0	245.222	0.871	10	0		BCAERL
[O-]C(=S)N1CCN(C([O-])=S)CC1	ZINC000034614288	190985580	/nfs/dbraw/zinc/98/55/80/190985580.db2.gz	DAYTXJHPNKUCNA-UHFFFAOYSA-N	-2	0	206.292	0.290	10	0		BCAERL
O=C([O-])c1n[nH]c(-c2ccc(C(=O)[O-])cc2)n1	ZINC000725256183	538055341	/nfs/dbraw/zinc/05/53/41/538055341.db2.gz	VZVBIKWPOSLDPK-UHFFFAOYSA-N	-2	0	233.183	0.868	10	0		BCAERL
C/C(C(=O)[O-])=C(/C)[C@@H](C)[P@@](=O)([O-])O	ZINC000095080672	191054212	/nfs/dbraw/zinc/05/42/12/191054212.db2.gz	KTQKLYDEMBAUQW-BMMSZFGTSA-N	-2	0	208.150	0.974	10	0		BCAERL
O=C([O-])c1cc2cc(C(=O)[O-])ncc2[nH]1	ZINC000095919916	350666874	/nfs/dbraw/zinc/66/68/74/350666874.db2.gz	YRFOWUYTDUXWKT-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
Cn1cc(C(=O)[O-])c(=O)c2cccc(C(=O)[O-])c21	ZINC000045928757	180635665	/nfs/dbraw/zinc/63/56/65/180635665.db2.gz	UAMIZVRSUBOHIC-UHFFFAOYSA-N	-2	0	247.206	0.935	10	0		BCAERL
O=C([O-])Cc1ccc([S@](=O)[O-])s1	ZINC000675059574	538484156	/nfs/dbraw/zinc/48/41/56/538484156.db2.gz	JJOXCUVGHDSJSP-UHFFFAOYSA-N	-2	0	206.244	0.956	10	0		BCAERL
CC(C)(C)OC(=O)N1NC(=O)C[C@@H]1C(=O)[O-]	ZINC000685939187	538886520	/nfs/dbraw/zinc/88/65/20/538886520.db2.gz	YIPOXHSWZMXERO-RXMQYKEDSA-N	-2	0	230.220	0.112	10	0		BCAERL
O=C([O-])c1c[nH]c2cc(C(=O)[O-])cnc12	ZINC000044712946	359710983	/nfs/dbraw/zinc/71/09/83/359710983.db2.gz	DEZDWGNIKQPEDZ-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])[C@@H](O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000238684289	361178856	/nfs/dbraw/zinc/17/88/56/361178856.db2.gz	GXXABXIJXSLWMG-ZETCQYMHSA-N	-2	0	213.145	0.418	10	0		BCAERL
COc1ccc([S@](=O)[O-])c(OC)c1C(=O)[O-]	ZINC000675060499	541463517	/nfs/dbraw/zinc/46/35/17/541463517.db2.gz	ADRRBWQMEITBHV-UHFFFAOYSA-N	-2	0	246.240	0.983	10	0		BCAERL
O=Cc1ccc(N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000113622666	368899057	/nfs/dbraw/zinc/89/90/57/368899057.db2.gz	WCZSZSQVWHQGBO-UHFFFAOYSA-N	-2	0	237.211	0.475	10	0		BCAERL
O=C([O-])CNc1ncnc2cc(C(=O)[O-])ccc21	ZINC000001293289	182469466	/nfs/dbraw/zinc/46/94/66/182469466.db2.gz	VVUIWRUEYZUVPE-UHFFFAOYSA-N	-2	0	247.210	0.825	10	0		BCAERL
CNc1ccc(S(=O)(=O)[O-])cc1C(=O)[O-]	ZINC000005318852	384109605	/nfs/dbraw/zinc/10/96/05/384109605.db2.gz	JWNYMRVWULNVDD-UHFFFAOYSA-N	-2	0	231.229	0.673	10	0		BCAERL
O=C([O-])Cc1c(C(=O)[O-])[nH]c2[nH]ccc(=O)c12	ZINC000095937197	384416437	/nfs/dbraw/zinc/41/64/37/384416437.db2.gz	YBYQBKPATVLOJW-UHFFFAOYSA-N	-2	0	236.183	0.594	10	0		BCAERL
O=C([O-])CS(=O)(=O)C=C([O-])c1ccccc1	ZINC000058252170	385652975	/nfs/dbraw/zinc/65/29/75/385652975.db2.gz	HOILIXOYKXZDMF-UHFFFAOYSA-N	-2	0	242.252	0.369	10	0		BCAERL
O=C([O-])[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000575484873	387251867	/nfs/dbraw/zinc/25/18/67/387251867.db2.gz	JHWLNWGEMAKUAO-ZXZARUISSA-N	-2	0	211.139	0.528	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc([S-])c(O)cc1F	ZINC000575705845	387410205	/nfs/dbraw/zinc/41/02/05/387410205.db2.gz	OWKRQKXUTTWYLZ-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
CC(C)N(CC(=O)[O-])C(=O)CSCC(=O)[O-]	ZINC000261571584	135213610	/nfs/dbraw/zinc/21/36/10/135213610.db2.gz	HOIIEEYCSOIETD-UHFFFAOYSA-N	-2	0	249.288	0.126	10	0		BCAERL
CCC[C@@H](NC(=O)CSCC(=O)[O-])C(=O)[O-]	ZINC000261588858	135229247	/nfs/dbraw/zinc/22/92/47/135229247.db2.gz	SRHDABADRQHKCQ-ZCFIWIBFSA-N	-2	0	249.288	0.174	10	0		BCAERL
CCC(C)(C)NC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104335393	168291722	/nfs/dbraw/zinc/29/17/22/168291722.db2.gz	KVEFWOODLHHXQE-UHFFFAOYSA-N	-2	0	246.263	0.356	10	0		BCAERL
CC[C@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000026578105	171253462	/nfs/dbraw/zinc/25/34/62/171253462.db2.gz	CTWQDKYMKUKTOI-NKWVEPMBSA-N	-2	0	231.248	0.467	10	0		BCAERL
COc1ccc(C(=O)[O-])c(NCC(=O)[O-])c1	ZINC000238852649	175064185	/nfs/dbraw/zinc/06/41/85/175064185.db2.gz	GWLIVJXYQGPUDX-UHFFFAOYSA-N	-2	0	225.200	0.890	10	0		BCAERL
COc1ccc([C@@H](O)[P@@](=O)([O-])O)cc1	ZINC000026292363	175181180	/nfs/dbraw/zinc/18/11/80/175181180.db2.gz	QXKKQXRTAGJQKZ-QMMMGPOBSA-N	-2	0	218.145	0.864	10	0		BCAERL
C[C@H](CCC(=O)CC(=O)[O-])CC(=O)CC(=O)[O-]	ZINC000098090927	176615265	/nfs/dbraw/zinc/61/52/65/176615265.db2.gz	OOYOUVIUGJMALE-SSDOTTSWSA-N	-2	0	244.243	0.880	10	0		BCAERL
CC[C@H](C)C[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259398	566305799	/nfs/dbraw/zinc/30/57/99/566305799.db2.gz	AFXOAGMGFOVXCW-RCOVLWMOSA-N	-2	0	204.222	0.713	10	0		BCAERL
NC(=O)c1cc(C(=O)[O-])cc([S@](=O)[O-])c1	ZINC000675061989	566449405	/nfs/dbraw/zinc/44/94/05/566449405.db2.gz	XMBMCMYIQBXUOO-UHFFFAOYSA-N	-2	0	229.213	0.064	10	0		BCAERL
CC(C)CC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000224750371	640637690	/nfs/dbraw/zinc/63/76/90/640637690.db2.gz	LVCUVZCESYKTJD-UHFFFAOYSA-N	-3	0	247.124	0.000	10	0		BCAERL
C[C@H](CNC(=S)[S-])NC(=S)[S-]	ZINC000002019894	342714442	/nfs/dbraw/zinc/71/44/42/342714442.db2.gz	IJIHYLHFNAWUGR-GSVOUGTGSA-N	-2	0	226.417	0.984	10	0	in-vitro	BCAERL
O=C([O-])[C@H]1CCCC[C@H]1c1n[nH]c(=O)[n-]1	ZINC000042040649	361930146	/nfs/dbraw/zinc/93/01/46/361930146.db2.gz	PCGLNKCIMUNMPF-RITPCOANSA-N	-2	0	211.221	0.456	10	0		BCAERL
O=C([O-])c1cc(=O)[nH]c(C[C@H]2CCOC2)n1	ZINC000380620096	538991210	/nfs/dbraw/zinc/99/12/10/538991210.db2.gz	ATQXDWYJURRJLX-ZCFIWIBFSA-N	-2	0	224.216	0.459	10	0		BCAERL
CCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000012501104	342852672	/nfs/dbraw/zinc/85/26/72/342852672.db2.gz	OJDJHGIXNZPZFD-UHFFFAOYSA-N	-2	0	206.027	0.233	10	0	in-vivo	BCAERL
COc1cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c1	ZINC000220719221	344354839	/nfs/dbraw/zinc/35/48/39/344354839.db2.gz	CJKJAAODJKVPGV-UHFFFAOYSA-N	-3	0	240.167	0.790	10	0		BCAERL
O=C([O-])c1cc(=O)n(-c2nccs2)[n-]1	ZINC000097608849	344400937	/nfs/dbraw/zinc/40/09/37/344400937.db2.gz	QHNMZQKBLCGURE-UHFFFAOYSA-N	-2	0	211.202	0.320	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])cc([O-])c1C=O	ZINC000396135825	344612974	/nfs/dbraw/zinc/61/29/74/344612974.db2.gz	JFLXEYOPYAMFHH-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1ccc([O-])c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000396145861	344619176	/nfs/dbraw/zinc/61/91/76/344619176.db2.gz	IBWOXBJSYDYGQH-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[O-]	ZINC000396163822	344635032	/nfs/dbraw/zinc/63/50/32/344635032.db2.gz	SAZQIIZXZOVFLV-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
CCN(CC)C(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000170311402	346413481	/nfs/dbraw/zinc/41/34/81/346413481.db2.gz	GQRYEBGRMDJEQR-SSDOTTSWSA-N	-2	0	246.263	0.213	10	0		BCAERL
C[C@]12C=C[C@](C)(O1)C(C(=O)[O-])=C2C(=O)[O-]	ZINC000147337993	346496429	/nfs/dbraw/zinc/49/64/29/346496429.db2.gz	GFBPUAJUTHUXNL-AOOOYVTPSA-N	-2	0	210.185	0.570	10	0		BCAERL
O=C([O-])N1C[C@H](c2nnn[n-]2)Nc2ccccc21	ZINC000616685770	351258393	/nfs/dbraw/zinc/25/83/93/351258393.db2.gz	SBYZGXSJMOIFRM-SSDOTTSWSA-N	-2	0	246.230	0.851	10	0		BCAERL
O=S(=O)([O-])c1cc(=S)n2cn[n-]c2n1	ZINC000100292872	188099089	/nfs/dbraw/zinc/09/90/89/188099089.db2.gz	XVUWAJKYHIHLHH-UHFFFAOYSA-N	-2	0	232.246	0.034	10	0		BCAERL
O=C([O-])[C@@H](O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000238684158	361178956	/nfs/dbraw/zinc/17/89/56/361178956.db2.gz	ZCMYYWJQOQYHDB-ZETCQYMHSA-N	-2	0	213.145	0.418	10	0		BCAERL
CCC[C@@H](C)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260111	541334601	/nfs/dbraw/zinc/33/46/01/541334601.db2.gz	NYSKOAZNQYYHDC-MUWHJKNJSA-N	-2	0	204.222	0.713	10	0		BCAERL
COc1ccc(C(=O)[O-])c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000116507566	368950389	/nfs/dbraw/zinc/95/03/89/368950389.db2.gz	HLZMLAKVUFHRJQ-UHFFFAOYSA-N	-2	0	241.155	1.000	10	0		BCAERL
Nc1cc(NCC(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC000098090832	181689811	/nfs/dbraw/zinc/68/98/11/181689811.db2.gz	GABFDOWZUYNACB-UHFFFAOYSA-N	-2	0	246.244	0.012	10	0		BCAERL
O=C([O-])C1(NC(=O)c2cn[nH]n2)CCCCC1	ZINC000070142891	182089763	/nfs/dbraw/zinc/08/97/63/182089763.db2.gz	JKZJOGUIHBLCKJ-UHFFFAOYSA-N	-2	0	238.247	0.322	10	0		BCAERL
O=C([O-])C1(Cc2n[nH]c(=O)[n-]2)CCCCC1	ZINC000042040620	182422646	/nfs/dbraw/zinc/42/26/46/182422646.db2.gz	JYWVKPRYWDQTIN-UHFFFAOYSA-N	-2	0	225.248	0.676	10	0		BCAERL
O=C([O-])c1cnc2ccc(C(=O)[O-])cn12	ZINC000089202031	383944052	/nfs/dbraw/zinc/94/40/52/383944052.db2.gz	OIRSGKBBHTVGRM-UHFFFAOYSA-N	-2	0	206.157	0.731	10	0		BCAERL
O=C([O-])C[C@@](O)(Cc1ccccc1)C(=O)[O-]	ZINC000006096632	384145928	/nfs/dbraw/zinc/14/59/28/384145928.db2.gz	ZNAJIKYTBCGAQQ-NSHDSACASA-N	-2	0	224.212	0.520	10	0		BCAERL
O=C([O-])c1cccn1C[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000521400320	386443664	/nfs/dbraw/zinc/44/36/64/386443664.db2.gz	JAMJQRXAQFFLBZ-VXNVDRBHSA-N	-2	0	239.227	0.676	10	0		BCAERL
O=C([O-])[C@H](O)c1cc([S-])cc(O)c1F	ZINC000575704823	387408815	/nfs/dbraw/zinc/40/88/15/387408815.db2.gz	CDTYNNNQIIIICU-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])[C@H](O)c1c(O)c(F)ccc1[S-]	ZINC000575706187	387410748	/nfs/dbraw/zinc/41/07/48/387410748.db2.gz	STYHFJMIWWEGDC-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
CCC[C@@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000263558412	135360544	/nfs/dbraw/zinc/36/05/44/135360544.db2.gz	PQSHNRCPXYDQBG-ZCFIWIBFSA-N	-2	0	239.231	0.840	10	0		BCAERL
CN(C(=O)/C=C/C(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000016902328	172292148	/nfs/dbraw/zinc/29/21/48/172292148.db2.gz	AMDPUTCUHXXXCM-VOTSOKGWSA-N	-2	0	249.222	0.988	10	0		BCAERL
C[C@@](O)(C[C@](C)(O)C([O-])=S)C([O-])=S	ZINC000098089652	177451824	/nfs/dbraw/zinc/45/18/24/177451824.db2.gz	DQCOLEACCLUJPJ-KNVOCYPGSA-N	-2	0	224.303	0.649	10	0		BCAERL
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000251438995	487755802	/nfs/dbraw/zinc/75/58/02/487755802.db2.gz	UXEMXSNPGVUVSN-PRJMDXOYSA-N	-2	0	243.259	0.323	10	0		BCAERL
CCCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263554157	534917080	/nfs/dbraw/zinc/91/70/80/534917080.db2.gz	NBLXPOXUPRUVFB-RNFRBKRXSA-N	-2	0	231.248	0.467	10	0		BCAERL
O=C([O-])c1cc2ccc(=O)[nH]c2c(C(=O)[O-])c1	ZINC000043220651	342791094	/nfs/dbraw/zinc/79/10/94/342791094.db2.gz	LWGJHJZIWONNKE-UHFFFAOYSA-N	-2	0	233.179	0.925	10	0		BCAERL
O=C([O-])c1ccc(O)c(OS(=O)(=O)[O-])c1	ZINC000077291871	398308184	/nfs/dbraw/zinc/30/81/84/398308184.db2.gz	GSFKEOSQCKWCLH-UHFFFAOYSA-N	-2	0	234.185	0.272	10	0	in-vitro	BCAERL
COCC[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000141160563	398343418	/nfs/dbraw/zinc/34/34/18/398343418.db2.gz	KCZSTYXICCQKRA-ZETCQYMHSA-N	-2	0	204.222	0.979	10	0		BCAERL
N#Cc1c([O-])ccc(C=O)c1CC(=O)[O-]	ZINC000396140465	344615608	/nfs/dbraw/zinc/61/56/08/344615608.db2.gz	YVXMCMTUHUCKPF-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1cc([O-])c(C=O)c(CC(=O)[O-])c1	ZINC000396144172	344617558	/nfs/dbraw/zinc/61/75/58/344617558.db2.gz	CSSUAZWQCBLVEB-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
C/C=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013541935	362615924	/nfs/dbraw/zinc/61/59/24/362615924.db2.gz	VPTVZDVITVNLTM-NSCUHMNNSA-N	-3	0	232.065	0.789	10	0	in-vitro	BCAERL
O=C([O-])Cc1cccc([S@@](=O)[O-])c1	ZINC000144555136	537947437	/nfs/dbraw/zinc/94/74/37/537947437.db2.gz	MTYMFDYTLIZQDI-UHFFFAOYSA-N	-2	0	200.215	0.894	10	0		BCAERL
O=S(=O)([O-])[C@@H](O)c1cc(O)cc(F)c1	ZINC000236544516	346250609	/nfs/dbraw/zinc/25/06/09/346250609.db2.gz	YLCVQBQLKIULBP-SSDOTTSWSA-N	-2	0	222.193	0.410	10	0		BCAERL
Cc1cccc(NC(=O)C(=O)[O-])c1C(=O)[O-]	ZINC000013491442	179124665	/nfs/dbraw/zinc/12/46/65/179124665.db2.gz	PIQOTFDQIXLVMM-UHFFFAOYSA-N	-2	0	223.184	0.716	10	0		BCAERL
CCCC(CCOCCOC)(C(=O)[O-])C(=O)[O-]	ZINC000675055230	537989569	/nfs/dbraw/zinc/98/95/69/537989569.db2.gz	ZLEYMWYGKVMZGP-UHFFFAOYSA-N	-2	0	248.275	0.995	10	0		BCAERL
Cc1ccccc1N(CC(=O)[O-])CC(=O)[O-]	ZINC000008415679	179296543	/nfs/dbraw/zinc/29/65/43/179296543.db2.gz	KBQLZPUOEZHYAA-UHFFFAOYSA-N	-2	0	223.228	0.971	10	0		BCAERL
Cc1cc([N-]S(=O)(=O)[C@@H](C)C(=O)[O-])on1	ZINC000042521753	187430376	/nfs/dbraw/zinc/43/03/76/187430376.db2.gz	BVCZMCYKXCMXTR-YFKPBYRVSA-N	-2	0	234.233	0.198	10	0		BCAERL
COc1nc(=O)c2c(O)c(C(=O)[O-])cnc2[n-]1	ZINC000616581798	349285400	/nfs/dbraw/zinc/28/54/00/349285400.db2.gz	DWQWYENWJHMIIR-UHFFFAOYSA-N	-2	0	237.171	0.143	10	0		BCAERL
O=C([O-])N1CCC[C@H](c2nnn[n-]2)CC1	ZINC000616630132	351101915	/nfs/dbraw/zinc/10/19/15/351101915.db2.gz	PSMKDSBYORKGFO-LURJTMIESA-N	-2	0	211.225	0.447	10	0		BCAERL
O=C([O-])N1CCCC[C@H](c2nnn[n-]2)C1	ZINC000616628157	351097820	/nfs/dbraw/zinc/09/78/20/351097820.db2.gz	KTKGIKHKBVZZQG-LURJTMIESA-N	-2	0	211.225	0.447	10	0		BCAERL
O=C([O-])C1=N[C@@H](C(=O)[O-])CC(OC2CC2)=C1	ZINC000095735278	188147205	/nfs/dbraw/zinc/14/72/05/188147205.db2.gz	LPMPLWKSPQXALM-MRVPVSSYSA-N	-2	0	225.200	0.432	10	0		BCAERL
NC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000037473909	181261617	/nfs/dbraw/zinc/26/16/17/181261617.db2.gz	JIXMUWSSLPVCPX-UHFFFAOYSA-N	-2	0	224.172	0.574	10	0		BCAERL
COc1cc(S(=O)(=O)[O-])cc(C=O)c1O	ZINC000231412690	368370185	/nfs/dbraw/zinc/37/01/85/368370185.db2.gz	LPRUEDSDJRLLJH-UHFFFAOYSA-N	-2	0	232.213	0.460	10	0		BCAERL
NS(=O)(=O)c1ccc([S-])c(C(=O)[O-])c1	ZINC000042137136	374250983	/nfs/dbraw/zinc/25/09/83/374250983.db2.gz	WYPRSNHONSMGGQ-UHFFFAOYSA-N	-2	0	233.270	0.321	10	0		BCAERL
COc1cc2nc(C(=O)[O-])[nH]c2c(C(=O)[O-])c1	ZINC000089195033	383941335	/nfs/dbraw/zinc/94/13/35/383941335.db2.gz	YNTCNBWJDRGYGP-UHFFFAOYSA-N	-2	0	236.183	0.968	10	0		BCAERL
O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000044069475	384487526	/nfs/dbraw/zinc/48/75/26/384487526.db2.gz	WTNDADANUZETTI-HSUXUTPPSA-N	-3	0	216.189	0.273	10	0		BCAERL
C[C@@]1(C(=O)[O-])C=CC(N)=C[C@]1(C)C(=O)[O-]	ZINC000100055335	384612983	/nfs/dbraw/zinc/61/29/83/384612983.db2.gz	QCKVEVPISQSMQP-VHSXEESVSA-N	-2	0	211.217	0.581	10	0		BCAERL
O=C([O-])CN(CC(=O)[O-])c1ccccc1O	ZINC000008435800	387748201	/nfs/dbraw/zinc/74/82/01/387748201.db2.gz	GJFXENUPRQPECY-UHFFFAOYSA-N	-2	0	225.200	0.368	10	0		BCAERL
O=C([O-])CCCNc1cnc(C(=O)[O-])cn1	ZINC000263403604	135352186	/nfs/dbraw/zinc/35/21/86/135352186.db2.gz	JVYAZILUMZHCCK-UHFFFAOYSA-N	-2	0	225.204	0.452	10	0		BCAERL
CC(C)[C@@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000263435557	135354442	/nfs/dbraw/zinc/35/44/42/135354442.db2.gz	VDGXSIONUWNLRA-MRVPVSSYSA-N	-2	0	239.231	0.696	10	0		BCAERL
O=C([O-])c1cc(=O)n(-c2ccncc2)[n-]1	ZINC000042411256	398014887	/nfs/dbraw/zinc/01/48/87/398014887.db2.gz	ZXAGFGJUZQAFNU-UHFFFAOYSA-N	-2	0	205.173	0.259	10	0		BCAERL
Cc1[n-]n(CC(C)C)c(=O)c1CC(=O)[O-]	ZINC000096955652	168134592	/nfs/dbraw/zinc/13/45/92/168134592.db2.gz	QISURKCELIVTKF-QMMMGPOBSA-N	-2	0	212.249	0.951	10	0		BCAERL
COC1C[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])C1	ZINC000075602221	174036417	/nfs/dbraw/zinc/03/64/17/174036417.db2.gz	SIVQDMMXUSRHKQ-PHDIDXHHSA-N	-2	0	202.206	0.587	10	0		BCAERL
C[C@@H](C(=O)[O-])N(C)c1ccc(C(=O)[O-])cc1N	ZINC000062833462	175624041	/nfs/dbraw/zinc/62/40/41/175624041.db2.gz	ASZOQGDDZIPSAL-LURJTMIESA-N	-2	0	238.243	0.876	10	0		BCAERL
CC[C@@H](C)C[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259395	566305723	/nfs/dbraw/zinc/30/57/23/566305723.db2.gz	AFXOAGMGFOVXCW-HZGVNTEJSA-N	-2	0	204.222	0.713	10	0		BCAERL
O=C([O-])c1cccc2c1O[C@@](O)(C(=O)[O-])C=C2	ZINC000004655010	560199390	/nfs/dbraw/zinc/19/93/90/560199390.db2.gz	QTUUVCOZQOTVCR-LLVKDONJSA-N	-2	0	236.179	0.564	10	0	in-vitro	BCAERL
CCC(CC)C(=O)C(C(=O)[O-])C(=O)[O-]	ZINC000067172143	168332524	/nfs/dbraw/zinc/33/25/24/168332524.db2.gz	HDVXWNCSBFTGHH-UHFFFAOYSA-N	-2	0	202.206	0.777	10	0		BCAERL
Cc1cc(=S)n2nc(C(=O)[O-])[n-]c2n1	ZINC000034090047	178217977	/nfs/dbraw/zinc/21/79/77/178217977.db2.gz	RGTPRWZDYVUAHV-UHFFFAOYSA-N	-2	0	210.218	0.420	10	0		BCAERL
Cc1c(OCC(=O)[O-])cccc1OCC(=O)[O-]	ZINC000001696251	342709717	/nfs/dbraw/zinc/70/97/17/342709717.db2.gz	QKDMOXIUBIOGEQ-UHFFFAOYSA-N	-2	0	240.211	0.922	10	0		BCAERL
O=C([O-])c1ccnc(-n2[n-]ccc2=O)c1	ZINC000146721545	342771290	/nfs/dbraw/zinc/77/12/90/342771290.db2.gz	TWWVYJCIKYFEJM-UHFFFAOYSA-N	-2	0	205.173	0.671	10	0		BCAERL
CC(=O)N[C@@H](CS[C@@H](C)CC(=O)[O-])C(=O)[O-]	ZINC000006020368	342772888	/nfs/dbraw/zinc/77/28/88/342772888.db2.gz	NZLXIGKXJUXPAV-FSPLSTOPSA-N	-2	0	249.288	0.172	10	0	in-vitro	BCAERL
O=C([O-])c1cc(=O)[nH]c(C[C@@H]2CCOC2)n1	ZINC000380620088	538991512	/nfs/dbraw/zinc/99/15/12/538991512.db2.gz	ATQXDWYJURRJLX-LURJTMIESA-N	-2	0	224.216	0.459	10	0		BCAERL
CC(C)(C)NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013861541	343107464	/nfs/dbraw/zinc/10/74/64/343107464.db2.gz	XAPAQHHMDMREJH-LURJTMIESA-N	-2	0	246.263	0.402	10	0		BCAERL
O=C([O-])Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1	ZINC000204668315	343583223	/nfs/dbraw/zinc/58/32/23/343583223.db2.gz	BXYPJKKQFYIAQK-UHFFFAOYSA-N	-2	0	239.183	0.849	10	0		BCAERL
O=C([O-])[C@H](Cc1cccnc1)[P@](=O)([O-])O	ZINC000028866172	344811313	/nfs/dbraw/zinc/81/13/13/344811313.db2.gz	OKYPCMVDMTZBEX-ZETCQYMHSA-N	-2	0	231.144	0.255	10	0		BCAERL
O=C([O-])[C@H](O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000238719957	344983274	/nfs/dbraw/zinc/98/32/74/344983274.db2.gz	ZCMYYWJQOQYHDB-SSDOTTSWSA-N	-2	0	213.145	0.418	10	0		BCAERL
O=C([O-])[C@H](O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000238719319	345116869	/nfs/dbraw/zinc/11/68/69/345116869.db2.gz	MVNLREFIXPSMEW-SSDOTTSWSA-N	-2	0	213.145	0.418	10	0		BCAERL
C[C@@H](C(=O)[O-])c1nc[n-]c(=O)c1Cl	ZINC000167017797	346183603	/nfs/dbraw/zinc/18/36/03/346183603.db2.gz	RUMQGFFQEKPCIM-GSVOUGTGSA-N	-2	0	202.597	0.611	10	0		BCAERL
O=C([O-])c1c[n-]n(-c2cccnn2)c1=O	ZINC000236466997	346242559	/nfs/dbraw/zinc/24/25/59/346242559.db2.gz	XUQKIJPUQIQJOB-UHFFFAOYSA-N	-2	0	206.161	0.066	10	0		BCAERL
CCC(CCOCCOC)(C(=O)[O-])C(=O)[O-]	ZINC000675052411	537964288	/nfs/dbraw/zinc/96/42/88/537964288.db2.gz	DVXVKKOSVXSDOM-UHFFFAOYSA-N	-2	0	234.248	0.605	10	0		BCAERL
C/C(=C\C(=O)[O-])C[C@@H](C)[C@](C)(O)C(=O)[O-]	ZINC000075626031	187396731	/nfs/dbraw/zinc/39/67/31/187396731.db2.gz	SBPBKRGXKIVQRJ-HIGCGDNMSA-N	-2	0	216.233	0.879	10	0		BCAERL
O=C([O-])N1CCCCC[C@@H]1c1nnn[n-]1	ZINC000616623222	351088687	/nfs/dbraw/zinc/08/86/87/351088687.db2.gz	WRVJRFTYGJPXBL-ZCFIWIBFSA-N	-2	0	211.225	0.795	10	0		BCAERL
O=C([O-])N1CCc2ccccc2[C@H]1c1nnn[n-]1	ZINC000616679036	351249396	/nfs/dbraw/zinc/24/93/96/351249396.db2.gz	IUKRIQPTLBKCOW-VIFPVBQESA-N	-2	0	245.242	0.825	10	0		BCAERL
O=C([O-])c1c[nH]c2ccc(C(=O)[O-])nc12	ZINC000044712893	352384294	/nfs/dbraw/zinc/38/42/94/352384294.db2.gz	GTPJOBQIMPIFAZ-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])c1c[nH]c2c1ccnc2C(=O)[O-]	ZINC000044713199	352384459	/nfs/dbraw/zinc/38/44/59/352384459.db2.gz	LGRYUOLAMKMBCL-UHFFFAOYSA-N	-2	0	206.157	0.959	10	0		BCAERL
O=C([O-])c1nnc2c(Br)[n-]cnc1-2	ZINC000089212002	188144583	/nfs/dbraw/zinc/14/45/83/188144583.db2.gz	AGOITZBXRDAGKR-UHFFFAOYSA-N	-2	0	243.020	0.814	10	0		BCAERL
O=C([O-])c1cccn1C[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000675058491	538481453	/nfs/dbraw/zinc/48/14/53/538481453.db2.gz	JAMJQRXAQFFLBZ-CBAPKCEASA-N	-2	0	239.227	0.676	10	0		BCAERL
O=C([O-])C[C@](O)(C(=O)[O-])C1CCCC1	ZINC000725259528	541333626	/nfs/dbraw/zinc/33/36/26/541333626.db2.gz	DENAXNJLACWSIZ-SECBINFHSA-N	-2	0	202.206	0.467	10	0		BCAERL
O=C([O-])[C@@]1([N-]C(=O)C(F)(F)F)CCSC1	ZINC000043511135	182346507	/nfs/dbraw/zinc/34/65/07/182346507.db2.gz	VVNRKHYLQJTQMX-ZCFIWIBFSA-N	-2	0	243.206	0.625	10	0		BCAERL
O=C([O-])CC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000095935247	182431196	/nfs/dbraw/zinc/43/11/96/182431196.db2.gz	IWDABEUSMIOXEG-ZCFIWIBFSA-N	-2	0	215.205	0.420	10	0		BCAERL
O=C([O-])CCC(=O)C[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013529715	182432305	/nfs/dbraw/zinc/43/23/05/182432305.db2.gz	NDCLEZFANCSZHL-LURJTMIESA-N	-3	0	246.215	0.376	10	0		BCAERL
CC[C@]1(C(=O)[O-])S[C@@H]([NH3+])[C@](C)(C(=O)[O-])[C@@H]1C	ZINC000095081103	384359041	/nfs/dbraw/zinc/35/90/41/384359041.db2.gz	HBFRQNKGTIOCOU-ZRVLKLQWSA-N	-2	0	247.316	0.978	10	0		BCAERL
O=C([O-])c1nc2[nH]ccc(O)c-2c1C(=O)[O-]	ZINC000095937105	384417253	/nfs/dbraw/zinc/41/72/53/384417253.db2.gz	RKWZRZBCXJZZGU-UHFFFAOYSA-N	-2	0	222.156	0.665	10	0		BCAERL
C[C@@]1(C(=O)[O-])C=CC(N)=C[C@@]1(C)C(=O)[O-]	ZINC000100055332	384612679	/nfs/dbraw/zinc/61/26/79/384612679.db2.gz	QCKVEVPISQSMQP-UWVGGRQHSA-N	-2	0	211.217	0.581	10	0		BCAERL
Cn1ccc(-c2[n-][nH]c(=O)c2C(=O)[O-])c1	ZINC000082532742	384690781	/nfs/dbraw/zinc/69/07/81/384690781.db2.gz	WFAYIKBLDSZWKW-UHFFFAOYSA-N	-2	0	207.189	0.407	10	0		BCAERL
C[C@H](C[C@@](C)(C(=O)[O-])[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000255004355	385703527	/nfs/dbraw/zinc/70/35/27/385703527.db2.gz	ZRPIGWVJNXHCKL-OXOINMOOSA-N	-3	0	232.232	0.909	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc([S-])cc(O)c1F	ZINC000575704830	387408520	/nfs/dbraw/zinc/40/85/20/387408520.db2.gz	CDTYNNNQIIIICU-ZETCQYMHSA-N	-2	0	218.205	0.938	10	0		BCAERL
O=C([O-])CN(CC(=O)[O-])Cc1ccco1	ZINC000034531203	387422790	/nfs/dbraw/zinc/42/27/90/387422790.db2.gz	NJOHLYZGKSJHFJ-UHFFFAOYSA-N	-2	0	213.189	0.251	10	0		BCAERL
Cc1cc([N-]S(=O)(=O)[C@H](C)C(=O)[O-])on1	ZINC000042521755	388095864	/nfs/dbraw/zinc/09/58/64/388095864.db2.gz	BVCZMCYKXCMXTR-RXMQYKEDSA-N	-2	0	234.233	0.198	10	0		BCAERL
O=C([O-])CCC[N-]S(=O)(=O)CC(F)(F)F	ZINC000261531325	135159807	/nfs/dbraw/zinc/15/98/07/135159807.db2.gz	GCWUUBBICLXEIG-UHFFFAOYSA-N	-2	0	249.210	0.333	10	0		BCAERL
C[C@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000263443266	135354637	/nfs/dbraw/zinc/35/46/37/135354637.db2.gz	XSQIRZFNGRGNEO-BYPYZUCNSA-N	-2	0	211.177	0.060	10	0		BCAERL
O=C([O-])CCNc1cnc(C(=O)[O-])cn1	ZINC000263491754	135357292	/nfs/dbraw/zinc/35/72/92/135357292.db2.gz	ISAANMQKIUOBQH-UHFFFAOYSA-N	-2	0	211.177	0.061	10	0		BCAERL
CC(C)CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000037584056	166795723	/nfs/dbraw/zinc/79/57/23/166795723.db2.gz	DTZAVFAYFZDBBV-QMMMGPOBSA-N	-2	0	245.275	0.857	10	0		BCAERL
CC(C)Sc1nnc(CCC(=O)[O-])c(=O)[n-]1	ZINC000032501021	167339384	/nfs/dbraw/zinc/33/93/84/167339384.db2.gz	BADNQFKTPZOECC-UHFFFAOYSA-N	-2	0	243.288	0.683	10	0		BCAERL
Cc1[n-]n(-c2ccccn2)c(=O)c1CC(=O)[O-]	ZINC000100866875	168135241	/nfs/dbraw/zinc/13/52/41/168135241.db2.gz	UMNFOIBNIRWCNK-MRVPVSSYSA-N	-2	0	233.227	0.895	10	0		BCAERL
CCC(C)(C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000054401793	168266370	/nfs/dbraw/zinc/26/63/70/168266370.db2.gz	KGANQAWOJIEVAC-ZETCQYMHSA-N	-2	0	245.275	0.857	10	0		BCAERL
C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000049356202	176808285	/nfs/dbraw/zinc/80/82/85/176808285.db2.gz	PRUNIQLZVGJVRL-RNJXMRFFSA-N	-2	0	241.243	0.243	10	0		BCAERL
O=C([O-])CCc1cccc(OS(=O)(=O)[O-])c1	ZINC000006092506	560205215	/nfs/dbraw/zinc/20/52/15/560205215.db2.gz	IQWLPDPKVFZEOK-UHFFFAOYSA-N	-2	0	246.240	0.885	10	0	in-vitro	BCAERL
Cc1cc2[n-]c(=S)n(CC(=O)[O-])c(=O)c2[nH]1	ZINC000100491637	178303538	/nfs/dbraw/zinc/30/35/38/178303538.db2.gz	YZKXJMKVKOGTDV-UHFFFAOYSA-N	-2	0	239.256	0.406	10	0		BCAERL
CCCCC[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000145175322	537816689	/nfs/dbraw/zinc/81/66/89/537816689.db2.gz	QRXKEYMWUCJOKS-BQBZGAKWSA-N	-2	0	204.222	0.713	10	0		BCAERL
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1[O-]	ZINC000396133800	344612322	/nfs/dbraw/zinc/61/23/22/344612322.db2.gz	BDYKWWBFIZRRAZ-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([N+](=O)[O-])cc([O-])c1CC(=O)[O-]	ZINC000396136238	344613460	/nfs/dbraw/zinc/61/34/60/344613460.db2.gz	LHEPEFHFADCLGS-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])cc([O-])c1[N+](=O)[O-]	ZINC000396137310	344613522	/nfs/dbraw/zinc/61/35/22/344613522.db2.gz	NYKOYNTYRVCAPN-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([O-])cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396140454	344615582	/nfs/dbraw/zinc/61/55/82/344615582.db2.gz	YREHYIWFBKMERY-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1[O-]	ZINC000396148852	344622440	/nfs/dbraw/zinc/62/24/40/344622440.db2.gz	NJRWBJKFGGBMPL-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(C=O)cc(CC(=O)[O-])c1[O-]	ZINC000396148833	344622470	/nfs/dbraw/zinc/62/24/70/344622470.db2.gz	NHWZUEKQCADKHK-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1ccc(C=O)c([O-])c1CC(=O)[O-]	ZINC000396150591	344623901	/nfs/dbraw/zinc/62/39/01/344623901.db2.gz	QCEIXFCMKNPNLF-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1ccc([O-])c(C=O)c1CC(=O)[O-]	ZINC000396154302	344626117	/nfs/dbraw/zinc/62/61/17/344626117.db2.gz	UUYUEYQWNLXIQL-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1[O-]	ZINC000396163168	344635185	/nfs/dbraw/zinc/63/51/85/344635185.db2.gz	RDJIWCDLJDUGGA-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
N#Cc1cc([O-])cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396166481	344636355	/nfs/dbraw/zinc/63/63/55/344636355.db2.gz	WVCSBXAJADMETC-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
O=C([O-])c1ccc2c(O)c(C(=O)[O-])cnc2n1	ZINC000117475918	344746631	/nfs/dbraw/zinc/74/66/31/344746631.db2.gz	ZMJNJKKKRUOIEZ-UHFFFAOYSA-N	-2	0	234.167	0.732	10	0		BCAERL
[NH3+][C@@H](CCC(=O)[O-])c1ocnc1C(=O)[O-]	ZINC000616568018	347439861	/nfs/dbraw/zinc/43/98/61/347439861.db2.gz	AEMGHQZBHQJNJE-BYPYZUCNSA-N	-2	0	214.177	0.237	10	0		BCAERL
Cn1[n-]c(C(=O)[O-])c(Br)c1=O	ZINC000250841790	538027668	/nfs/dbraw/zinc/02/76/68/538027668.db2.gz	VBFAHHZLPJSGBQ-UHFFFAOYSA-N	-2	0	221.010	0.586	10	0		BCAERL
CCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000024803120	350229307	/nfs/dbraw/zinc/22/93/07/350229307.db2.gz	HRAPDLBXHOBAKA-LURJTMIESA-N	-2	0	217.221	0.221	10	0	in-vivo	BCAERL
O=C([O-])c1nn(-c2ccc(F)cc2)c(=O)[n-]1	ZINC000020272446	188108589	/nfs/dbraw/zinc/10/85/89/188108589.db2.gz	ZJMRVIMWJOAFNW-UHFFFAOYSA-N	-2	0	223.163	0.810	10	0		BCAERL
O=C([O-])c1cccn1C[C@@H]1CCO[C@H]1C(=O)[O-]	ZINC000675058492	538481188	/nfs/dbraw/zinc/48/11/88/538481188.db2.gz	JAMJQRXAQFFLBZ-IONNQARKSA-N	-2	0	239.227	0.676	10	0		BCAERL
O=[S@]([O-])c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000675060679	541463979	/nfs/dbraw/zinc/46/39/79/541463979.db2.gz	GQQRHHUTDDVXSR-UHFFFAOYSA-N	-2	0	246.269	0.219	10	0		BCAERL
O=C([O-])C1(S(=O)(=O)[O-])CCCCC1	ZINC000038613281	182423917	/nfs/dbraw/zinc/42/39/17/182423917.db2.gz	NUUWTVSNCJJERP-UHFFFAOYSA-N	-2	0	208.235	0.662	10	0		BCAERL
O=C([O-])CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000037792770	182445509	/nfs/dbraw/zinc/44/55/09/182445509.db2.gz	NHRRTIRRLAGXQA-HTQZYQBOSA-N	-2	0	243.259	0.468	10	0		BCAERL
O=C([O-])COc1ccccc1CC(=O)[O-]	ZINC000001688768	182471293	/nfs/dbraw/zinc/47/12/93/182471293.db2.gz	FDSGDSBZYOHXHF-UHFFFAOYSA-N	-2	0	210.185	0.777	10	0		BCAERL
O=C([O-])CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000027765265	182464198	/nfs/dbraw/zinc/46/41/98/182464198.db2.gz	HNVHGFRSJMKRDN-BQBZGAKWSA-N	-2	0	229.232	0.078	10	0		BCAERL
CCCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000012500996	169313034	/nfs/dbraw/zinc/31/30/34/169313034.db2.gz	JCWMAIAFQQTSAX-UHFFFAOYSA-N	-3	0	220.054	0.623	10	0	in-vivo	BCAERL
O=c1cc([O-])nc(Nc2ccc3c(c2)OCO3)[nH]1	ZINC000072416558	384116457	/nfs/dbraw/zinc/11/64/57/384116457.db2.gz	LMNMBHLECQBZED-UHFFFAOYSA-N	-2	0	247.210	0.948	10	0		BCAERL
O=C([O-])c1[n-]c(-c2cccnc2)[nH+]c1C(=O)[O-]	ZINC000082299306	384121660	/nfs/dbraw/zinc/12/16/60/384121660.db2.gz	HLANIEAGYFMGJV-UHFFFAOYSA-N	-2	0	233.183	0.868	10	0		BCAERL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000044069478	384489050	/nfs/dbraw/zinc/48/90/50/384489050.db2.gz	WTNDADANUZETTI-SRQIZXRXSA-N	-3	0	216.189	0.273	10	0		BCAERL
Cc1c(C(=O)[O-])nnn1-c1cccc(C(=O)[O-])c1	ZINC000062265725	385111547	/nfs/dbraw/zinc/11/15/47/385111547.db2.gz	XLOGEZOBUINFRE-UHFFFAOYSA-N	-2	0	247.210	0.972	10	0		BCAERL
C[C@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000034413829	385279259	/nfs/dbraw/zinc/27/92/59/385279259.db2.gz	LPJYMIDYZUKJJK-LURJTMIESA-N	-2	0	237.211	0.588	10	0		BCAERL
O=C([O-])/C=C/C(=O)NCCCCCC(=O)[O-]	ZINC000001569105	387754643	/nfs/dbraw/zinc/75/46/43/387754643.db2.gz	OHQFLBMAHZJOJA-AATRIKPKSA-N	-2	0	229.232	0.388	10	0		BCAERL
O=C([O-])c1ccc(OS(=O)(=O)[O-])cc1	ZINC000013542606	388159934	/nfs/dbraw/zinc/15/99/34/388159934.db2.gz	RJTYSXVYCZAUHE-UHFFFAOYSA-N	-2	0	218.186	0.566	10	0	in-man	BCAERL
CCC[C@H](NC(=O)CSCC(=O)[O-])C(=O)[O-]	ZINC000261588857	135229177	/nfs/dbraw/zinc/22/91/77/135229177.db2.gz	SRHDABADRQHKCQ-LURJTMIESA-N	-2	0	249.288	0.174	10	0		BCAERL
CCCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263554158	135360510	/nfs/dbraw/zinc/36/05/10/135360510.db2.gz	NBLXPOXUPRUVFB-RQJHMYQMSA-N	-2	0	231.248	0.467	10	0		BCAERL
CCCCNC(=O)/C=C(\CC(=O)[O-])C(=O)[O-]	ZINC000584647732	398080867	/nfs/dbraw/zinc/08/08/67/398080867.db2.gz	VCUZFMQHAREGGF-FNORWQNLSA-N	-2	0	229.232	0.388	10	0		BCAERL
Cc1[n-]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000035779316	168135503	/nfs/dbraw/zinc/13/55/03/168135503.db2.gz	PLORMQOECIJDNB-VIFPVBQESA-N	-2	0	233.227	0.895	10	0		BCAERL
O=C([O-])N1c2ccccc2NC[C@H]1c1nnn[n-]1	ZINC000616683665	411414599	/nfs/dbraw/zinc/41/45/99/411414599.db2.gz	QCKSBELCDKGOLP-QMMMGPOBSA-N	-2	0	246.230	0.851	10	0		BCAERL
CCOC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001641458	170242282	/nfs/dbraw/zinc/24/22/82/170242282.db2.gz	WQTVQSGHEBLPPP-YFKPBYRVSA-N	-2	0	219.193	0.051	10	0		BCAERL
C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-]	ZINC000049356360	175828101	/nfs/dbraw/zinc/82/81/01/175828101.db2.gz	ISDCESGFUDWEKN-SSDOTTSWSA-N	-2	0	243.259	0.611	10	0		BCAERL
C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-]	ZINC000049356271	176814019	/nfs/dbraw/zinc/81/40/19/176814019.db2.gz	SEKREBBWBLDQSY-FXQIFTODSA-N	-2	0	243.259	0.467	10	0		BCAERL
C[C@H]1CC(=O)C[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000098209828	177061863	/nfs/dbraw/zinc/06/18/63/177061863.db2.gz	FTECSEOMYYNPLN-UBKIQSJTSA-N	-2	0	200.190	0.387	10	0		BCAERL
CC(C)[C@H]([NH2+][C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000014618332	560223242	/nfs/dbraw/zinc/22/32/42/560223242.db2.gz	OEZFTGUQNATVAL-SVRRBLITSA-N	-2	0	247.247	0.003	10	0	in-vitro	BCAERL
CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000756994763	586422155	/nfs/dbraw/zinc/42/21/55/586422155.db2.gz	PRPVZXYVDJEBLJ-SECBINFHSA-N	-2	0	237.211	0.647	10	0		BCAERL
CC(C)CC[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000168729934	632488172	/nfs/dbraw/zinc/48/81/72/632488172.db2.gz	PEMUJFINIWBGAR-VIFPVBQESA-N	-2	0	204.222	0.713	10	0		BCAERL
CC(C)CC[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000138046520	342749663	/nfs/dbraw/zinc/74/96/63/342749663.db2.gz	PEMUJFINIWBGAR-SECBINFHSA-N	-2	0	204.222	0.713	10	0		BCAERL
O=C([O-])[C@@H]1CCCC[C@H]1c1n[nH]c(=O)[n-]1	ZINC000042040652	361929838	/nfs/dbraw/zinc/92/98/38/361929838.db2.gz	PCGLNKCIMUNMPF-PHDIDXHHSA-N	-2	0	211.221	0.456	10	0		BCAERL
N#Cc1cc([O-])c(C=O)cc1CC(=O)[O-]	ZINC000396136175	344613546	/nfs/dbraw/zinc/61/35/46/344613546.db2.gz	KQPSTCDFVLZORE-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1cc(C=O)c([O-])c(CC(=O)[O-])c1	ZINC000396145892	344619009	/nfs/dbraw/zinc/61/90/09/344619009.db2.gz	IFYWGHZRLUPJIR-UHFFFAOYSA-N	-2	0	205.169	0.703	10	0		BCAERL
N#Cc1c(C(=O)[O-])cc([O-])cc1[N+](=O)[O-]	ZINC000396155163	344626826	/nfs/dbraw/zinc/62/68/26/344626826.db2.gz	GKXWLAQWTNMJNX-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
N#Cc1c([O-])c([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000396155821	344627398	/nfs/dbraw/zinc/62/73/98/344627398.db2.gz	GOIUDSJGQDWSCD-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
N#Cc1cc([O-])c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000396157579	344628941	/nfs/dbraw/zinc/62/89/41/344628941.db2.gz	JATMBAZOGUSGJN-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
O=C([O-])C1([N-]C(=O)C(F)(F)F)CCOCC1	ZINC000149518455	346119428	/nfs/dbraw/zinc/11/94/28/346119428.db2.gz	NAYSSBARKYUPLE-UHFFFAOYSA-N	-2	0	241.165	0.299	10	0		BCAERL
O=C([O-])N1CCCCC[C@H]1c1nnn[n-]1	ZINC000616624178	351091074	/nfs/dbraw/zinc/09/10/74/351091074.db2.gz	WRVJRFTYGJPXBL-LURJTMIESA-N	-2	0	211.225	0.795	10	0		BCAERL
O=C([O-])c1cc(S(=O)(=O)[O-])cs1	ZINC000404912528	352628734	/nfs/dbraw/zinc/62/87/34/352628734.db2.gz	JMLIQYFJRIAZJB-UHFFFAOYSA-N	-2	0	208.216	0.693	10	0		BCAERL
CC(=O)N[C@@H](CS[C@H](C)CC(=O)[O-])C(=O)[O-]	ZINC000006036103	188102839	/nfs/dbraw/zinc/10/28/39/188102839.db2.gz	NZLXIGKXJUXPAV-VDTYLAMSSA-N	-2	0	249.288	0.172	10	0	in-vitro	BCAERL
O=C([O-])c1ccc(O)c([S@](=O)[O-])c1	ZINC000675059353	538483312	/nfs/dbraw/zinc/48/33/12/538483312.db2.gz	FYWZJIGWKLNBGU-UHFFFAOYSA-N	-2	0	202.187	0.671	10	0		BCAERL
CCn1cc([S@](=O)[O-])cc1C(=O)[O-]	ZINC000675062498	538488689	/nfs/dbraw/zinc/48/86/89/538488689.db2.gz	VCUVAXPRRMOXKE-UHFFFAOYSA-N	-2	0	203.219	0.787	10	0		BCAERL
O=C([O-])c1cc(C(=O)[O-])cc([S@@](=O)[O-])c1	ZINC000090685835	538591915	/nfs/dbraw/zinc/59/19/15/538591915.db2.gz	WVKAUAMJXDSBBR-UHFFFAOYSA-N	-3	0	230.197	0.664	10	0		BCAERL
C=CC(=O)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1	ZINC000584634487	358318187	/nfs/dbraw/zinc/31/81/87/358318187.db2.gz	HFSAJDRRIAPPQC-UHFFFAOYSA-N	-2	0	237.167	0.569	10	0		BCAERL
Cc1cc(S(=O)(=O)[O-])cc(C=O)c1O	ZINC000584641696	358327111	/nfs/dbraw/zinc/32/71/11/358327111.db2.gz	ILJYVFZOWVXOPH-UHFFFAOYSA-N	-2	0	216.214	0.760	10	0		BCAERL
O=C([O-])c1ccccc1NC(=O)c1nnn[n-]1	ZINC000002551078	182378521	/nfs/dbraw/zinc/37/85/21/182378521.db2.gz	JGLCDAFNHWYBLQ-UHFFFAOYSA-N	-2	0	233.187	0.150	10	0		BCAERL
O=C([O-])C[C@@H]1C=CCS[C@H]1C(=O)[O-]	ZINC000075602483	182477927	/nfs/dbraw/zinc/47/79/27/182477927.db2.gz	MDZXSYHJWMMFCE-CAHLUQPWSA-N	-2	0	202.231	0.834	10	0		BCAERL
O=C([O-])[C@@H]1C[C@@H](C(=O)[O-])Oc2ccccc2O1	ZINC000039123590	182519639	/nfs/dbraw/zinc/51/96/39/182519639.db2.gz	NPRGCRFFQGAMGH-IUCAKERBSA-N	-2	0	238.195	0.754	10	0		BCAERL
CC1(C)O[C@@](C)(C(=O)[O-])[C@](C)(C(=O)[O-])O1	ZINC000039953607	384124909	/nfs/dbraw/zinc/12/49/09/384124909.db2.gz	LSAIIAKZVXFJOH-IUCAKERBSA-N	-2	0	218.205	0.456	10	0		BCAERL
COc1cc(C(=O)[O-])ccc1[C@H](O)C(=O)[O-]	ZINC000095934442	384413358	/nfs/dbraw/zinc/41/33/58/384413358.db2.gz	QMCOLNKKAMIVGJ-QMMMGPOBSA-N	-2	0	226.184	0.511	10	0		BCAERL
CC(=O)N[C@H](CSC[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000022047197	385889418	/nfs/dbraw/zinc/88/94/18/385889418.db2.gz	NCVHUCCOTCVUCB-CAHLUQPWSA-N	-2	0	249.288	0.030	10	0	in-vitro	BCAERL
O=C([O-])[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000575493588	387264934	/nfs/dbraw/zinc/26/49/34/387264934.db2.gz	JHWLNWGEMAKUAO-JPYJGEKTSA-N	-2	0	211.139	0.528	10	0		BCAERL
CN1C(=O)[N-]C(=O)C(=C([O-])c2ccccc2)C1=O	ZINC000103238336	388582303	/nfs/dbraw/zinc/58/23/03/388582303.db2.gz	WXFOCSQVQRJWKG-MRVPVSSYSA-N	-2	0	246.222	0.194	10	0		BCAERL
COC1(OC)CC2(C1)CC(C(=O)[O-])(C(=O)[O-])C2	ZINC000575447661	398041458	/nfs/dbraw/zinc/04/14/58/398041458.db2.gz	IJGNIPICZVEDGC-UHFFFAOYSA-N	-2	0	244.243	0.705	10	0		BCAERL
CC(C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000037387453	166724893	/nfs/dbraw/zinc/72/48/93/166724893.db2.gz	NBEBYAAWEGPLCM-LURJTMIESA-N	-2	0	217.221	0.077	10	0		BCAERL
Cc1[n-]n(-c2ncccn2)c(=O)c1CC(=O)[O-]	ZINC000102299090	168135384	/nfs/dbraw/zinc/13/53/84/168135384.db2.gz	GKLJITMWRDXUPQ-SSDOTTSWSA-N	-2	0	234.215	0.290	10	0		BCAERL
CCOC(=O)c1nc2c([n-]1)[n-]c(=S)[nH]c2=O	ZINC000040176452	170307931	/nfs/dbraw/zinc/30/79/31/170307931.db2.gz	AUIZVXBXUXZMOJ-UHFFFAOYSA-N	-2	0	240.244	0.898	10	0		BCAERL
CCc1[n-]n2c(nc(C)cc2=O)c1C(=O)[O-]	ZINC000073738048	172045866	/nfs/dbraw/zinc/04/58/66/172045866.db2.gz	OLQYKZLURMBHDE-UHFFFAOYSA-N	-2	0	221.216	0.592	10	0		BCAERL
CCn1c(C(=O)[O-])cc(=O)cc1C(=O)[O-]	ZINC000001673554	172133415	/nfs/dbraw/zinc/13/34/15/172133415.db2.gz	ONIIXUJJQUELCI-UHFFFAOYSA-N	-2	0	211.173	0.265	10	0		BCAERL
Cc1cccc(-n2nnc(C(=O)[O-])c2C(=O)[O-])c1	ZINC000057353648	524147801	/nfs/dbraw/zinc/14/78/01/524147801.db2.gz	OKTBAWYORGGOPC-UHFFFAOYSA-N	-2	0	247.210	0.972	10	0		BCAERL
CCCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000263554155	535052889	/nfs/dbraw/zinc/05/28/89/535052889.db2.gz	NBLXPOXUPRUVFB-BQBZGAKWSA-N	-2	0	231.248	0.467	10	0		BCAERL
O=C([O-])C=C(/C=C/C(=O)[O-])/C=C\C(=O)[O-]	ZINC000013541931	560219209	/nfs/dbraw/zinc/21/92/09/560219209.db2.gz	WKDXBDTUVVLFQV-JUBDMUOYSA-N	-3	0	212.157	0.279	10	0	in-vitro	BCAERL
O=C([O-])c1cn2cc(C(=O)[O-])ccc2n1	ZINC000003742151	342737461	/nfs/dbraw/zinc/73/74/61/342737461.db2.gz	VTXBKGVFWYKIET-UHFFFAOYSA-N	-2	0	206.157	0.731	10	0		BCAERL
O=C([O-])c1cc2c(s1)C(=O)[N-]S2(=O)=O	ZINC000039296098	538969482	/nfs/dbraw/zinc/96/94/82/538969482.db2.gz	KTDCBJUOIPATJO-UHFFFAOYSA-N	-2	0	233.226	0.453	10	0		BCAERL
O=C([O-])c1ccc(-c2n[nH]c(=O)[n-]2)cc1	ZINC000061811292	539015465	/nfs/dbraw/zinc/01/54/65/539015465.db2.gz	WXXSIZJMZZPSLT-UHFFFAOYSA-N	-2	0	205.173	0.463	10	0		BCAERL
N#Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1[O-]	ZINC000396137763	344614029	/nfs/dbraw/zinc/61/40/29/344614029.db2.gz	PSPXYCHIYFZUNR-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1[O-]	ZINC000396139855	344614977	/nfs/dbraw/zinc/61/49/77/344614977.db2.gz	WIBVOCUFFHYRKV-UHFFFAOYSA-N	-2	0	222.156	0.799	10	0		BCAERL
N#Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000396158378	344631896	/nfs/dbraw/zinc/63/18/96/344631896.db2.gz	JWZAWGJKZNGMGR-UHFFFAOYSA-N	-2	0	208.129	0.870	10	0		BCAERL
Cc1cccc(-n2nc(C(=O)[O-])[n-]c2=O)c1	ZINC000020272466	179001224	/nfs/dbraw/zinc/00/12/24/179001224.db2.gz	JNFJBBWSOGMRFF-UHFFFAOYSA-N	-2	0	219.200	0.980	10	0		BCAERL
Cc1nc([C@H](O)C(=O)[O-])sc1C(=O)[O-]	ZINC000083348816	180055609	/nfs/dbraw/zinc/05/56/09/180055609.db2.gz	FZACPIMELWZIPZ-VKHMYHEASA-N	-2	0	217.202	0.268	10	0		BCAERL
O=C([O-])N1CCc2ccccc2[C@@H]1c1nnn[n-]1	ZINC000616677263	351243756	/nfs/dbraw/zinc/24/37/56/351243756.db2.gz	IUKRIQPTLBKCOW-SECBINFHSA-N	-2	0	245.242	0.825	10	0		BCAERL
O=C([O-])N1C[C@@H](c2nnn[n-]2)Nc2ccccc21	ZINC000616686840	351257062	/nfs/dbraw/zinc/25/70/62/351257062.db2.gz	SBYZGXSJMOIFRM-ZETCQYMHSA-N	-2	0	246.230	0.851	10	0		BCAERL
O=C([O-])c1c(F)c(F)ccc1S(=O)(=O)[O-]	ZINC000021985408	188109326	/nfs/dbraw/zinc/10/93/26/188109326.db2.gz	QRRFYVNEBLUWDX-UHFFFAOYSA-N	-2	0	238.167	0.910	10	0		BCAERL
O=C([O-])[C@@H]1COc2ccc([S@](=O)[O-])cc2C1	ZINC000675060869	538486954	/nfs/dbraw/zinc/48/69/54/538486954.db2.gz	MBMMOYLLPUZBEN-ZETCQYMHSA-N	-2	0	242.252	0.903	10	0		BCAERL
CCCC(=O)C(CC)(C(=O)[O-])C(=O)[O-]	ZINC000169046501	358094578	/nfs/dbraw/zinc/09/45/78/358094578.db2.gz	UECOWMXNQBHSSJ-UHFFFAOYSA-N	-2	0	202.206	0.921	10	0		BCAERL
O=C(Cn1ncc2cccnc21)P(=O)([O-])[O-]	ZINC000584621490	358288749	/nfs/dbraw/zinc/28/87/49/358288749.db2.gz	SFAVEXYATFEHQE-UHFFFAOYSA-N	-2	0	241.143	0.136	10	0		BCAERL
CCC[C@@H](C)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260108	541334640	/nfs/dbraw/zinc/33/46/40/541334640.db2.gz	NYSKOAZNQYYHDC-HZGVNTEJSA-N	-2	0	204.222	0.713	10	0		BCAERL
Nc1c(C(=O)[O-])nn(-c2ccccc2)c1C(=O)[O-]	ZINC000082310739	181667526	/nfs/dbraw/zinc/66/75/26/181667526.db2.gz	NREUJEOSWRVHNA-UHFFFAOYSA-N	-2	0	247.210	0.851	10	0		BCAERL
O=C([O-])C1(Cc2n[nH]c(=O)[n-]2)CCCC1	ZINC000042040599	182422076	/nfs/dbraw/zinc/42/20/76/182422076.db2.gz	HSAGFXCPTVIIPM-UHFFFAOYSA-N	-2	0	211.221	0.286	10	0		BCAERL
O=C([O-])CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000037792764	182446132	/nfs/dbraw/zinc/44/61/32/182446132.db2.gz	WDUIMUFCLHDVLE-HTQZYQBOSA-N	-2	0	241.243	0.244	10	0		BCAERL
O=C([O-])CN(CC(=O)[O-])C(=O)C1CCCCC1	ZINC000110968583	182459513	/nfs/dbraw/zinc/45/95/13/182459513.db2.gz	LDKGRJVBMRMCIQ-UHFFFAOYSA-N	-2	0	243.259	0.565	10	0		BCAERL
O=C([O-])c1cnc(N2CCCC2)nc1C(=O)[O-]	ZINC000072416077	182589379	/nfs/dbraw/zinc/58/93/79/182589379.db2.gz	MNQXQEOIXXODQL-UHFFFAOYSA-N	-2	0	237.215	0.473	10	0		BCAERL
O=C([O-])CCC(=O)CCC(=O)CCC(=O)[O-]	ZINC000003870974	384031128	/nfs/dbraw/zinc/03/11/28/384031128.db2.gz	DUAWJQCMZICMIK-UHFFFAOYSA-N	-2	0	230.216	0.634	10	0	in-vivo	BCAERL
O=C([O-])C[C@H]1N=C(Nc2ccccc2)N=C1[O-]	ZINC000072416560	384117091	/nfs/dbraw/zinc/11/70/91/384117091.db2.gz	UBFXQDPEFMWFBT-MRVPVSSYSA-N	-2	0	233.227	0.428	10	0		BCAERL
O=C([O-])c1[n-]c(-c2ccncc2)[nH+]c1C(=O)[O-]	ZINC000082299308	384121273	/nfs/dbraw/zinc/12/12/73/384121273.db2.gz	WABCMZMPPSJIPZ-UHFFFAOYSA-N	-2	0	233.183	0.868	10	0		BCAERL
CC1(C)O[C@@](C)(C(=O)[O-])[C@@](C)(C(=O)[O-])O1	ZINC000039953606	384124919	/nfs/dbraw/zinc/12/49/19/384124919.db2.gz	LSAIIAKZVXFJOH-DTORHVGOSA-N	-2	0	218.205	0.456	10	0		BCAERL
CC(=O)N[C@@H](CSC[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000006036734	384143634	/nfs/dbraw/zinc/14/36/34/384143634.db2.gz	NCVHUCCOTCVUCB-VDTYLAMSSA-N	-2	0	249.288	0.030	10	0		BCAERL
O=C([O-])Cc1c2ccc[nH]c-2nc1C(=O)[O-]	ZINC000095937196	384416714	/nfs/dbraw/zinc/41/67/14/384416714.db2.gz	PVLGWDPYEMMUPA-UHFFFAOYSA-N	-2	0	220.184	0.888	10	0		BCAERL
O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000044069481	384488771	/nfs/dbraw/zinc/48/87/71/384488771.db2.gz	WTNDADANUZETTI-PBXRRBTRSA-N	-3	0	216.189	0.273	10	0		BCAERL
CS(=O)(=O)c1nc2cccc(C(=O)[O-])c2[n-]1	ZINC000080090916	384528504	/nfs/dbraw/zinc/52/85/04/384528504.db2.gz	VCLZLBWWYCUVGD-UHFFFAOYSA-N	-2	0	240.240	0.665	10	0		BCAERL
O=C([O-])[C@H](O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000238719668	384529402	/nfs/dbraw/zinc/52/94/02/384529402.db2.gz	BEURMOGVNUOHRM-SSDOTTSWSA-N	-2	0	213.145	0.418	10	0		BCAERL
O=C([O-])[C@@H](O)c1cc(O)c(F)cc1F	ZINC000258260256	384555730	/nfs/dbraw/zinc/55/57/30/384555730.db2.gz	YKLHUYAESWTKGG-ZETCQYMHSA-N	-2	0	204.128	0.788	10	0		BCAERL
NS(=O)(=O)c1ccc([S-])c(F)c1[O-]	ZINC000575706518	384799656	/nfs/dbraw/zinc/79/96/56/384799656.db2.gz	YFBSYNDURJFXGX-UHFFFAOYSA-N	-2	0	223.250	0.467	10	0		BCAERL
COn1c2cc(C(=O)[O-])ccc2nc1C(=O)[O-]	ZINC000253564965	385684328	/nfs/dbraw/zinc/68/43/28/385684328.db2.gz	HDOYUNMLYHRLSE-UHFFFAOYSA-N	-2	0	236.183	0.491	10	0		BCAERL
COc1cc(C(=O)[O-])cc2[nH]nc(C(=O)[O-])c21	ZINC000575440516	387135442	/nfs/dbraw/zinc/13/54/42/387135442.db2.gz	NISOTGDGTTZKLK-UHFFFAOYSA-N	-2	0	236.183	0.968	10	0		BCAERL
O=C([O-])/C=C/c1ccc(OS(=O)(=O)[O-])cc1	ZINC000001644134	387456610	/nfs/dbraw/zinc/45/66/10/387456610.db2.gz	OYDCCWNLILCHDJ-ZZXKWVIFSA-N	-2	0	244.224	0.966	10	0	in-vitro	BCAERL
O=C([O-])[C@H](O)c1c(O)ccc([S-])c1F	ZINC000575706152	387410297	/nfs/dbraw/zinc/41/02/97/387410297.db2.gz	SBOBGDDRIFNLFF-SSDOTTSWSA-N	-2	0	218.205	0.938	10	0		BCAERL
CC[C@]1(C(=O)[O-])C(C(=O)[O-])=C(C)ON1C	ZINC000077050346	171712064	/nfs/dbraw/zinc/71/20/64/171712064.db2.gz	XZIQNLVQOSWKMR-SECBINFHSA-N	-2	0	215.205	0.455	10	0		BCAERL