smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cnc(SC(F)(F)C(=O)[O-])[n-]c1=O	ZINC000306813615	398206234	/nfs/dbraw/zinc/20/62/34/398206234.db2.gz	AOBKHQGWJCGDEE-UHFFFAOYSA-N	-2	0	236.199	1.260	10	0		BDAERL
CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1	ZINC000141385695	343093704	/nfs/dbraw/zinc/09/37/04/343093704.db2.gz	PSQFECDXLJGLOK-UHFFFAOYSA-N	-2	0	234.280	1.146	10	0		BDAERL
Cc1ccc2cc(C(=O)[O-])c(C(=O)[O-])nc2c1	ZINC000032099647	343229658	/nfs/dbraw/zinc/22/96/58/343229658.db2.gz	KSUMYWMNVADYCX-UHFFFAOYSA-N	-2	0	231.207	1.940	10	0		BDAERL
N#Cc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1[S-]	ZINC000396134033	344612809	/nfs/dbraw/zinc/61/28/09/344612809.db2.gz	BPMOEJPCBNBOMY-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])c(CC(=O)[O-])cc1C=O	ZINC000396135576	344613188	/nfs/dbraw/zinc/61/31/88/344613188.db2.gz	ISHJXOBSYOVQIU-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc([S-])cc(C=O)c1CC(=O)[O-]	ZINC000396137823	344613925	/nfs/dbraw/zinc/61/39/25/344613925.db2.gz	QCSXGLYZMXHOFW-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
Cc1cccc(C[C@H](C(=O)[O-])[C@H](C)C(=O)[O-])c1	ZINC000005007695	179105065	/nfs/dbraw/zinc/10/50/65/179105065.db2.gz	INWOKZOLKGYIQG-ONGXEEELSA-N	-2	0	236.267	1.959	10	0		BDAERL
Cc1[nH]c(=S)c(C(=O)[O-])cc1C(=O)[O-]	ZINC000075622426	180029303	/nfs/dbraw/zinc/02/93/03/180029303.db2.gz	FVQHFZUNGDUREV-UHFFFAOYSA-N	-2	0	213.214	1.075	10	0		BDAERL
Cc1nc([C@@H](C)C(=O)[O-])sc1C(=O)[O-]	ZINC000083348139	180033210	/nfs/dbraw/zinc/03/32/10/180033210.db2.gz	UWYXTYPYRWSVLP-GSVOUGTGSA-N	-2	0	215.230	1.338	10	0		BDAERL
O=C([O-])[C@H]1C[C@]1(C(=O)[O-])c1ccc(F)cc1	ZINC000258719720	538795538	/nfs/dbraw/zinc/79/55/38/538795538.db2.gz	IFOKEJNJQTYCEI-KCJUWKMLSA-N	-2	0	224.187	1.253	10	0		BDAERL
Cc1ccccc1[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000259695071	538826923	/nfs/dbraw/zinc/82/69/23/538826923.db2.gz	VRJZEWBYOZADQG-GFCCVEGCSA-N	-2	0	222.240	1.812	10	0		BDAERL
O=C([O-])Cc1ccc(F)c([O-])c1Br	ZINC000306609351	360587829	/nfs/dbraw/zinc/58/78/29/360587829.db2.gz	YBEGCWSQQSSNRJ-UHFFFAOYSA-N	-2	0	249.035	1.921	10	0		BDAERL
Cc1cc(C(=O)[O-])c(F)c([S@](=O)[O-])c1	ZINC000306480459	541313380	/nfs/dbraw/zinc/31/33/80/541313380.db2.gz	CKUIETXEIDVZCO-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
O=C([O-])C(=O)C=C([O-])c1ccccc1Cl	ZINC000028258364	182416047	/nfs/dbraw/zinc/41/60/47/182416047.db2.gz	BLWCAZYQFBZYOK-UHFFFAOYSA-N	-2	0	226.615	1.567	10	0		BDAERL
O=C([O-])C[C@]1(C(=O)[O-])CCc2ccccc2C1	ZINC000039120877	182488246	/nfs/dbraw/zinc/48/82/46/182488246.db2.gz	KKQPZUSXOGXWFQ-ZDUSSCGKSA-N	-2	0	234.251	1.721	10	0		BDAERL
O=C([O-])c1ccc(C(=O)[O-])c2nccnc12	ZINC000090686131	182565059	/nfs/dbraw/zinc/56/50/59/182565059.db2.gz	BDKLYPXIJUUCLB-UHFFFAOYSA-N	-2	0	218.168	1.026	10	0		BDAERL
Cc1cc(C(=O)[O-])c2c(=O)[n-]c(=S)nc-2[nH]1	ZINC000039947671	384124333	/nfs/dbraw/zinc/12/43/33/384124333.db2.gz	MNMNCRDREKZHRQ-UHFFFAOYSA-N	-2	0	237.240	1.400	10	0		BDAERL
O=C([O-])c1cc(OC(F)F)cc(O)c1[S-]	ZINC000575661269	384414356	/nfs/dbraw/zinc/41/43/56/384414356.db2.gz	CDOHKHNXQYSTDP-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CC(C)[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C(C)C	ZINC000062720753	385184665	/nfs/dbraw/zinc/18/46/65/385184665.db2.gz	HSCLUIKEZDGKBP-YUMQZZPRSA-N	-2	0	202.250	1.700	10	0		BDAERL
CCc1cc([S-])cc([C@H](O)C(=O)[O-])c1F	ZINC000575701058	387404835	/nfs/dbraw/zinc/40/48/35/387404835.db2.gz	HCTOUYBXCUQTTE-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])cc([S-])c1F	ZINC000575701477	387405330	/nfs/dbraw/zinc/40/53/30/387405330.db2.gz	PWVGYHOCNFUVIV-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1c([S-])ccc(F)c1[C@@H](O)C(=O)[O-]	ZINC000575701645	387405794	/nfs/dbraw/zinc/40/57/94/387405794.db2.gz	SNNZAOPYILYXFX-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc([S-])cc(F)c1O	ZINC000575704948	387408600	/nfs/dbraw/zinc/40/86/00/387408600.db2.gz	DGONZAQECAXMEY-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1cc(C#N)c([S-])cc1[C@H](O)C(=O)[O-]	ZINC000575644561	387872041	/nfs/dbraw/zinc/87/20/41/387872041.db2.gz	HWEDNACLULWRIP-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc(C#N)cc([S-])c1[C@@H](O)C(=O)[O-]	ZINC000575644739	387876642	/nfs/dbraw/zinc/87/66/42/387876642.db2.gz	IVJKKSZYQSKYQK-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc([S-])c(CC(=O)[O-])c(C#N)c1	ZINC000575646791	387881997	/nfs/dbraw/zinc/88/19/97/387881997.db2.gz	OTYPVZJQNJBXBT-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
O=C([O-])Cn1[n-]c(-c2ccc(F)cc2)cc1=O	ZINC000067341012	388406211	/nfs/dbraw/zinc/40/62/11/388406211.db2.gz	KBCOSMJKVYDSFT-UHFFFAOYSA-N	-2	0	236.202	1.067	10	0		BDAERL
O=C([O-])CC[C@H](C(=O)[O-])C(F)(F)F	ZINC000034743159	134601363	/nfs/dbraw/zinc/60/13/63/134601363.db2.gz	KPKIOVNMEYGKJZ-GSVOUGTGSA-N	-2	0	200.112	1.114	10	0		BDAERL
C[C@@H]1CCCC[C@]1(CC(=O)[O-])C(=O)[O-]	ZINC000075601547	176090236	/nfs/dbraw/zinc/09/02/36/176090236.db2.gz	BAZDXKXWSWZAAX-GMSGAONNSA-N	-2	0	200.234	1.742	10	0		BDAERL
C[C@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000001045398	177354890	/nfs/dbraw/zinc/35/48/90/177354890.db2.gz	NSVFQYRNBOFQMT-XAMCCFCMSA-N	-2	0	200.234	1.454	10	0		BDAERL
O=C([O-])c1ccccc1CC(=O)NOCC1CC1	ZINC000688953811	976196285	/nfs/dbraw/zinc/19/62/85/976196285.db2.gz	BUFSYAFOYOOYDX-UHFFFAOYSA-N	-2	0	249.266	1.385	10	0		BDAERL
Cc1cc(C(=O)[O-])ccc1[S@@](=O)[O-]	ZINC000197924298	539012677	/nfs/dbraw/zinc/01/26/77/539012677.db2.gz	YAOGDMFKZRHLQT-UHFFFAOYSA-N	-2	0	200.215	1.274	10	0		BDAERL
O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc32)[C@@H]1C(=O)[O-]	ZINC000033369578	343252574	/nfs/dbraw/zinc/25/25/74/343252574.db2.gz	FMDJPIDUSFJPFC-CKIJPRSSSA-N	-2	0	232.235	1.673	10	0		BDAERL
CCP(=O)([O-])CC[P@](=O)([O-])CC	ZINC000139205039	343278514	/nfs/dbraw/zinc/27/85/14/343278514.db2.gz	FGFKCVQVPYWJOP-UHFFFAOYSA-N	-2	0	214.138	1.567	10	0		BDAERL
N#Cc1c([S-])cc(C=O)cc1CC(=O)[O-]	ZINC000396135333	344612984	/nfs/dbraw/zinc/61/29/84/344612984.db2.gz	HWHAFNVRLQIGAJ-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc(C(F)F)c1[O-]	ZINC000396140187	344615165	/nfs/dbraw/zinc/61/51/65/344615165.db2.gz	XLPYLNFKJHJCQX-UHFFFAOYSA-N	-2	0	227.166	1.829	10	0		BDAERL
Cc1cc([C@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000675054516	537895337	/nfs/dbraw/zinc/89/53/37/537895337.db2.gz	NYDRQASNZVKDFG-QMMMGPOBSA-N	-2	0	226.203	1.777	10	0		BDAERL
Cc1cccc(C)c1N(CC(=O)[O-])CC(=O)[O-]	ZINC000057528492	179039865	/nfs/dbraw/zinc/03/98/65/179039865.db2.gz	WUUZQGWCVPETLJ-UHFFFAOYSA-N	-2	0	237.255	1.279	10	0		BDAERL
O=C([O-])[C@@H]1C[C@@]1(C(=O)[O-])c1cccc(F)c1	ZINC000039273966	347579701	/nfs/dbraw/zinc/57/97/01/347579701.db2.gz	LNKDLKVTSWDMQY-GZMMTYOYSA-N	-2	0	224.187	1.253	10	0		BDAERL
O=C([O-])[C@H]1CN(C(=O)[O-])c2ccccc2N1	ZINC000616684987	351255637	/nfs/dbraw/zinc/25/56/37/351255637.db2.gz	NDQGXHLJXNJLDS-SSDOTTSWSA-N	-2	0	222.200	1.050	10	0		BDAERL
Cc1csc(C(=O)[O-])c1S(=O)(=O)[O-]	ZINC000404896202	363071741	/nfs/dbraw/zinc/07/17/41/363071741.db2.gz	CAQSHDCYQYXSMX-UHFFFAOYSA-N	-2	0	222.243	1.001	10	0		BDAERL
O=C([O-])c1nn(-c2cccc(Cl)c2)c(=O)[n-]1	ZINC000020272450	187936636	/nfs/dbraw/zinc/93/66/36/187936636.db2.gz	QJALWRLECNLAEZ-UHFFFAOYSA-N	-2	0	239.618	1.325	10	0		BDAERL
Cc1ccc(F)cc1[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000675055846	538476346	/nfs/dbraw/zinc/47/63/46/538476346.db2.gz	ZOSNVOPLESBNMY-VIFPVBQESA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])[C@H]1C[C@]1(C(=O)[O-])c1ccccc1F	ZINC000258823871	538797846	/nfs/dbraw/zinc/79/78/46/538797846.db2.gz	OVROISFCZURZRU-HQJQHLMTSA-N	-2	0	224.187	1.253	10	0		BDAERL
COc1ccc(Cl)c(P(=O)([O-])[O-])c1	ZINC000584624630	358293104	/nfs/dbraw/zinc/29/31/04/358293104.db2.gz	UTXZAQWPGJXZNH-UHFFFAOYSA-N	-2	0	222.564	1.152	10	0		BDAERL
O=C([O-])c1cccc2c1NCC[C@@H]2C(=O)[O-]	ZINC000013890220	541488512	/nfs/dbraw/zinc/48/85/12/541488512.db2.gz	PWAUKKYQGYJMRX-ZETCQYMHSA-N	-2	0	221.212	1.369	10	0		BDAERL
O=S(=O)([O-])c1nc2c(cccc2[S-])s1	ZINC000089195237	383942015	/nfs/dbraw/zinc/94/20/15/383942015.db2.gz	UNMWJRKAKBKOSD-UHFFFAOYSA-N	-2	0	247.322	1.832	10	0		BDAERL
CCC(CC)[C@@](CC)(C(=O)[O-])[P@@](=O)([O-])O	ZINC000071614999	384173538	/nfs/dbraw/zinc/17/35/38/384173538.db2.gz	LPGCGEZXBRUIIE-VIFPVBQESA-N	-2	0	238.220	1.834	10	0		BDAERL
O=C([O-])c1cc(OC(F)F)c(O)cc1[S-]	ZINC000575662111	384421403	/nfs/dbraw/zinc/42/14/03/384421403.db2.gz	QSLGMAFBKJCHOG-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1cc([S-])c([C@H](O)C(=O)[O-])cc1F	ZINC000575701180	384747284	/nfs/dbraw/zinc/74/72/84/384747284.db2.gz	KJCAYQYEKAIOBS-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1c(O)c(F)ccc1[S-]	ZINC000575705703	387411035	/nfs/dbraw/zinc/41/10/35/387411035.db2.gz	LEKSUQXSPVJPQR-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1cc(C#N)c([S-])c([C@@H](O)C(=O)[O-])c1	ZINC000575649080	387886956	/nfs/dbraw/zinc/88/69/56/387886956.db2.gz	ZTHOHFILHDYADO-SECBINFHSA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])c1ccc(N2CCC(C(=O)[O-])CC2)cc1	ZINC000053994301	132363872	/nfs/dbraw/zinc/36/38/72/132363872.db2.gz	ZSQRPGANXOHJCS-UHFFFAOYSA-N	-2	0	249.266	1.686	10	0		BDAERL
COc1ccccc1[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000057955190	175353809	/nfs/dbraw/zinc/35/38/09/175353809.db2.gz	QZEULVVDYKWTKI-VIFPVBQESA-N	-2	0	238.239	1.728	10	0		BDAERL
C[C@]1(CC(=O)[O-])CCCC[C@H]1C(=O)[O-]	ZINC000075601539	177459188	/nfs/dbraw/zinc/45/91/88/177459188.db2.gz	MZWUHMPXUIOICZ-OIBJUYFYSA-N	-2	0	200.234	1.742	10	0		BDAERL
Cc1cc(C)c([S@](=O)[O-])c(C)c1CC(=O)[O-]	ZINC000304660366	537905481	/nfs/dbraw/zinc/90/54/81/537905481.db2.gz	VZWJNNKGZFZHGG-UHFFFAOYSA-N	-2	0	242.296	1.820	10	0		BDAERL
O=C([O-])CCCCCCC[C@@H](O)C(=O)[O-]	ZINC000005113158	571687727	/nfs/dbraw/zinc/68/77/27/571687727.db2.gz	LPIOYESQKJFWPQ-MRVPVSSYSA-N	-2	0	218.249	1.247	10	0	endogenous,in-man	BDAERL
CCC(C(=O)[O-])(C(=O)[O-])c1cccc(OC)c1	ZINC000675052450	583301575	/nfs/dbraw/zinc/30/15/75/583301575.db2.gz	FFTWPEKQPPFRQC-UHFFFAOYSA-N	-2	0	238.239	1.512	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1cc(F)ccc1O	ZINC000675053142	583917123	/nfs/dbraw/zinc/91/71/23/583917123.db2.gz	GNDXUEBRZPIMAT-SSDOTTSWSA-N	-2	0	228.175	1.174	10	0		BDAERL
CCC(CC)(C(=O)[O-])C(CC)(C(=O)[O-])C(=O)[O-]	ZINC000040448894	168313082	/nfs/dbraw/zinc/31/30/82/168313082.db2.gz	SWVDRRQNIHSZCG-UHFFFAOYSA-N	-3	0	246.259	1.443	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1C=O	ZINC000396134495	344612487	/nfs/dbraw/zinc/61/24/87/344612487.db2.gz	DRKJSPYONDNKBN-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
COc1c(C#N)ccc([S-])c1CC(=O)[O-]	ZINC000396137105	344613555	/nfs/dbraw/zinc/61/35/55/344613555.db2.gz	NFKPLOQFXZQJBZ-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc([S-])c(C=O)c(CC(=O)[O-])c1	ZINC000396137367	344613927	/nfs/dbraw/zinc/61/39/27/344613927.db2.gz	OHBNBAVAJQRRFC-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc([S-])c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000396151395	344624140	/nfs/dbraw/zinc/62/41/40/344624140.db2.gz	LHTHSNJJSRTVRL-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1c([S-])ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396156385	344627595	/nfs/dbraw/zinc/62/75/95/344627595.db2.gz	RVAOFSHLAOKGNL-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CC1(C)O[C@](C)(C(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000001653453	187301579	/nfs/dbraw/zinc/30/15/79/187301579.db2.gz	KTSCHRREMZDLIP-LDWIPMOCSA-N	-2	0	216.233	1.120	10	0		BDAERL
CC[C@@H]1CC[C@H]([C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000257354162	345774469	/nfs/dbraw/zinc/77/44/69/345774469.db2.gz	WAKRMWHPHQARDY-VGMNWLOBSA-N	-2	0	214.261	1.988	10	0		BDAERL
CC[C@@H](C(=O)[O-])[C@](CC)(C(C)=O)C(=O)[O-]	ZINC000148467104	346148773	/nfs/dbraw/zinc/14/87/73/346148773.db2.gz	GZRBFPCMWOPYMQ-XVKPBYJWSA-N	-2	0	216.233	1.167	10	0		BDAERL
Cc1cccc2cc(C(=O)[O-])c(C(=O)[O-])nc12	ZINC000032099221	179227441	/nfs/dbraw/zinc/22/74/41/179227441.db2.gz	IHRBRFOKZGICCR-UHFFFAOYSA-N	-2	0	231.207	1.940	10	0		BDAERL
O=C([O-])/C=C/c1cc(F)cc(O)c1F	ZINC000306671185	350816807	/nfs/dbraw/zinc/81/68/07/350816807.db2.gz	FSSJIKZOWSVCIS-OWOJBTEDSA-N	-2	0	200.140	1.768	10	0		BDAERL
CC(C)[C@H](S[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000058262085	188012731	/nfs/dbraw/zinc/01/27/31/188012731.db2.gz	GJJFRRLPAIHNDW-RITPCOANSA-N	-2	0	206.263	1.302	10	0		BDAERL
O=C([O-])Cc1ccc([S-])c(F)c1O	ZINC000575706520	384800038	/nfs/dbraw/zinc/80/00/38/384800038.db2.gz	YFKFGLUHAKOSQK-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])cc(C#N)c1[S-]	ZINC000575647252	385264436	/nfs/dbraw/zinc/26/44/36/385264436.db2.gz	QMSRAEPPNXIVDR-VIFPVBQESA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])Cc1cc([S-])c(F)c(CO)c1	ZINC000575705390	387408135	/nfs/dbraw/zinc/40/81/35/387408135.db2.gz	IRHBYTLQPORSPO-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])c1ncn(-c2ccccc2)c1C(=O)[O-]	ZINC000025503274	387878995	/nfs/dbraw/zinc/87/89/95/387878995.db2.gz	HYCAAJACQJCSRO-UHFFFAOYSA-N	-2	0	232.195	1.269	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])c(C#N)cc1[S-]	ZINC000575648596	387885282	/nfs/dbraw/zinc/88/52/82/387885282.db2.gz	VGWDDPNWTRSYTO-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CC(Cc1ccc(F)cc1)(C(=O)[O-])C(=O)[O-]	ZINC000057517256	388361239	/nfs/dbraw/zinc/36/12/39/388361239.db2.gz	LQQMKOHCEMMOIX-UHFFFAOYSA-N	-2	0	226.203	1.544	10	0		BDAERL
COc1ccccc1/C=C(\CC(=O)[O-])C(=O)[O-]	ZINC000034506730	175313999	/nfs/dbraw/zinc/31/39/99/175313999.db2.gz	UNGXMTYKICNNSC-RMKNXTFCSA-N	-2	0	236.223	1.638	10	0		BDAERL
C[C@@H]1CCCC[C@@]1(CC(=O)[O-])C(=O)[O-]	ZINC000075601545	176083559	/nfs/dbraw/zinc/08/35/59/176083559.db2.gz	BAZDXKXWSWZAAX-XCBNKYQSSA-N	-2	0	200.234	1.742	10	0		BDAERL
O=C([O-])c1cc2cccnc2cc1C(=O)[O-]	ZINC000039123259	343385856	/nfs/dbraw/zinc/38/58/56/343385856.db2.gz	WYTKBUVLWVDGDO-UHFFFAOYSA-N	-2	0	217.180	1.631	10	0		BDAERL
O=C([O-])Cn1[n-]c(-c2ccccc2)cc1=O	ZINC000116605722	343786616	/nfs/dbraw/zinc/78/66/16/343786616.db2.gz	KJGOLBLMODXMMC-UHFFFAOYSA-N	-2	0	218.212	1.340	10	0		BDAERL
CCC(C(=O)[O-])(C(=O)[O-])C1CCCC1	ZINC000080222702	538111947	/nfs/dbraw/zinc/11/19/47/538111947.db2.gz	XYKVWEMFIKJPSQ-UHFFFAOYSA-N	-2	0	200.234	1.742	10	0		BDAERL
O=C([O-])c1cc([S@](=O)[O-])cc(F)c1F	ZINC000675061481	538487687	/nfs/dbraw/zinc/48/76/87/538487687.db2.gz	ZBIVWQYIHZKQGU-UHFFFAOYSA-N	-2	0	222.168	1.244	10	0		BDAERL
O=C([O-])Cc1ccccc1C[S@](=O)[O-]	ZINC000675061896	538488109	/nfs/dbraw/zinc/48/81/09/538488109.db2.gz	RNRAMBAAERSFTB-UHFFFAOYSA-N	-2	0	214.242	1.035	10	0		BDAERL
CC(CCc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000001764739	358447525	/nfs/dbraw/zinc/44/75/25/358447525.db2.gz	OLXGONJGVSASEW-UHFFFAOYSA-N	-2	0	222.240	1.795	10	0		BDAERL
CCC(C(=O)[O-])(C(=O)[O-])c1cccc(C)c1	ZINC000139940761	541502372	/nfs/dbraw/zinc/50/23/72/541502372.db2.gz	FBUCVGFOSUMVRP-UHFFFAOYSA-N	-2	0	222.240	1.812	10	0		BDAERL
O=C([O-])C[C@@H]1c2ccccc2O[C@@H]1C(=O)[O-]	ZINC000013821303	182481462	/nfs/dbraw/zinc/48/14/62/182481462.db2.gz	PAJUIDMQNIXHHQ-XCBNKYQSSA-N	-2	0	222.196	1.091	10	0		BDAERL
Nc1sc2c(c1C(=O)[O-])CCN(C(=O)[O-])C2	ZINC000094568700	384304801	/nfs/dbraw/zinc/30/48/01/384304801.db2.gz	CURXBGRRPRLGHP-UHFFFAOYSA-N	-2	0	242.256	1.065	10	0		BDAERL
CCc1cc(F)c([S-])cc1[C@H](O)C(=O)[O-]	ZINC000575701688	384750329	/nfs/dbraw/zinc/75/03/29/384750329.db2.gz	VNDPTGVDTHZTTB-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])CC[C@H](CC(=O)[O-])C(F)(F)F	ZINC000238645041	385258626	/nfs/dbraw/zinc/25/86/26/385258626.db2.gz	VQEXEEJSYVCBIM-SCSAIBSYSA-N	-2	0	214.139	1.504	10	0		BDAERL
O=C([O-])CN(CC(=O)[O-])c1ccccc1Cl	ZINC000057534367	387505837	/nfs/dbraw/zinc/50/58/37/387505837.db2.gz	RFJCCLIHOOOFSS-UHFFFAOYSA-N	-2	0	243.646	1.316	10	0		BDAERL
CCc1c([S-])cc([C@H](O)C(=O)[O-])cc1C#N	ZINC000575643864	387869257	/nfs/dbraw/zinc/86/92/57/387869257.db2.gz	CWAJEUVTVZEFPQ-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc(C#N)cc([S-])c1[C@H](O)C(=O)[O-]	ZINC000575644728	387876600	/nfs/dbraw/zinc/87/66/00/387876600.db2.gz	IVJKKSZYQSKYQK-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc(C#N)cc(C(=O)[O-])c1[S-]	ZINC000575649154	387886330	/nfs/dbraw/zinc/88/63/30/387886330.db2.gz	XOWIEYJXIQLXPP-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCOc1cc(C#N)c([S-])cc1C(=O)[O-]	ZINC000575649475	387886704	/nfs/dbraw/zinc/88/67/04/387886704.db2.gz	ZAWAWRBTVUICNS-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
O=C([O-])/C=C(/Sc1ccc(O)cc1)C(=O)[O-]	ZINC000004276931	397922588	/nfs/dbraw/zinc/92/25/88/397922588.db2.gz	LWHTZDZFUAEPCB-VMPITWQZSA-N	-2	0	240.236	1.537	10	0		BDAERL
O=C([O-])C1(C(=O)[O-])CC2(CC(F)C2)C1	ZINC000606304239	398002882	/nfs/dbraw/zinc/00/28/82/398002882.db2.gz	SWAVRKBOSMKUGM-UHFFFAOYSA-N	-2	0	202.181	1.054	10	0		BDAERL
CCSC(C=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000026658572	170625265	/nfs/dbraw/zinc/62/52/65/170625265.db2.gz	NFGBNLNHIGSZOH-GGWOSOGESA-N	-2	0	218.230	1.235	10	0		BDAERL
CCc1ncc(C(=O)[O-])c(CC)c1C(=O)[O-]	ZINC000086865017	172016071	/nfs/dbraw/zinc/01/60/71/172016071.db2.gz	SIBZNWFOTXVMDS-UHFFFAOYSA-N	-2	0	223.228	1.603	10	0		BDAERL
COc1ccc(CC(C)(C(=O)[O-])C(=O)[O-])cc1	ZINC000057529217	175087311	/nfs/dbraw/zinc/08/73/11/175087311.db2.gz	XEELMPFLLXXULK-UHFFFAOYSA-N	-2	0	238.239	1.413	10	0		BDAERL
C[C@@H](Oc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000035837392	176004678	/nfs/dbraw/zinc/00/46/78/176004678.db2.gz	IYWAOPSJSWCAJB-ZCFIWIBFSA-N	-2	0	210.185	1.237	10	0		BDAERL
C[C@@H](Sc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000075442514	176009470	/nfs/dbraw/zinc/00/94/70/176009470.db2.gz	ZHNINGOHYRBVOF-SSDOTTSWSA-N	-2	0	240.280	1.879	10	0		BDAERL
C[C@H](Sc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000075442512	177029077	/nfs/dbraw/zinc/02/90/77/177029077.db2.gz	ZHNINGOHYRBVOF-ZETCQYMHSA-N	-2	0	240.280	1.879	10	0		BDAERL
CC(C)CC(C)(CC(=O)[O-])CC(=O)[O-]	ZINC000033835885	343261987	/nfs/dbraw/zinc/26/19/87/343261987.db2.gz	NCCFGKVFLVAWRI-UHFFFAOYSA-N	-2	0	202.250	1.988	10	0		BDAERL
CCCc1ncc(C(=O)[O-])c(C(=O)[O-])c1O	ZINC000039123718	343385949	/nfs/dbraw/zinc/38/59/49/343385949.db2.gz	QMOHKSQJPRTOPK-UHFFFAOYSA-N	-2	0	225.200	1.136	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1C=O	ZINC000396135040	344612511	/nfs/dbraw/zinc/61/25/11/344612511.db2.gz	GVOMSNKFWVXTNO-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1ccc([O-])c(C(F)F)c1CC(=O)[O-]	ZINC000396135541	344613245	/nfs/dbraw/zinc/61/32/45/344613245.db2.gz	IQCPOOVQHQZVDY-UHFFFAOYSA-N	-2	0	227.166	1.829	10	0		BDAERL
N#Cc1c(CC(=O)[O-])cc([S-])cc1[N+](=O)[O-]	ZINC000396137351	344613513	/nfs/dbraw/zinc/61/35/13/344613513.db2.gz	OEFYKWMQHBRUCX-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1c([S-])cc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000396140722	344615603	/nfs/dbraw/zinc/61/56/03/344615603.db2.gz	ZZQIDUFTHCSHNI-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(C(=O)[O-])c([S-])c([N+](=O)[O-])c1	ZINC000396172740	344631567	/nfs/dbraw/zinc/63/15/67/344631567.db2.gz	ZCLXYBNVQKQZPE-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
O=C([O-])c1cnc(-c2ccccn2)c(C(=O)[O-])c1	ZINC000137739160	345691639	/nfs/dbraw/zinc/69/16/39/345691639.db2.gz	LFUJDYOAQRRSFP-UHFFFAOYSA-N	-2	0	244.206	1.540	10	0		BDAERL
CC[C@@H]1CC[C@@H]([C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000257354161	345774439	/nfs/dbraw/zinc/77/44/39/345774439.db2.gz	WAKRMWHPHQARDY-HLTSFMKQSA-N	-2	0	214.261	1.988	10	0		BDAERL
Cc1cccc(C(=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000082291473	179025803	/nfs/dbraw/zinc/02/58/03/179025803.db2.gz	GLCAJQAFBKYBPU-ZETCQYMHSA-N	-2	0	224.212	1.545	10	0		BDAERL
O=[S@]([O-])c1ccc(Cl)c(-c2nn[nH]n2)c1	ZINC000675061910	538487713	/nfs/dbraw/zinc/48/77/13/538487713.db2.gz	SEHDDIBQBJRUCC-UHFFFAOYSA-N	-2	0	244.663	1.101	10	0		BDAERL
Cc1c(C(=O)[O-])ccc2nc(C(=O)[O-])ccc12	ZINC000584624289	358292392	/nfs/dbraw/zinc/29/23/92/358292392.db2.gz	SFQJBTHACCKDRG-UHFFFAOYSA-N	-2	0	231.207	1.940	10	0		BDAERL
O=C([O-])[C@H](O)c1c(Cl)ccc([O-])c1Cl	ZINC000306548649	360419169	/nfs/dbraw/zinc/41/91/69/360419169.db2.gz	CXHUBNHNULCRTC-SSDOTTSWSA-N	-2	0	237.038	1.817	10	0		BDAERL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CC(=O)[O-]	ZINC000096463834	368382768	/nfs/dbraw/zinc/38/27/68/368382768.db2.gz	OWAXGQYGHBGBIB-UHFFFAOYSA-N	-2	0	246.266	1.410	10	0		BDAERL
O=C([O-])c1cc(Cl)cnc1C(=O)[O-]	ZINC000038312907	182554664	/nfs/dbraw/zinc/55/46/64/182554664.db2.gz	HRZJSPYJMYUKMQ-UHFFFAOYSA-N	-2	0	201.565	1.131	10	0		BDAERL
O=C([O-])c1cc(OC2CC2)cnc1C(=O)[O-]	ZINC000095741847	182557738	/nfs/dbraw/zinc/55/77/38/182557738.db2.gz	CVGGZJJCCBPMMH-UHFFFAOYSA-N	-2	0	223.184	1.019	10	0		BDAERL
CCOc1cc(CC(=O)[O-])ccc1C(=O)[O-]	ZINC000059104825	385039520	/nfs/dbraw/zinc/03/95/20/385039520.db2.gz	PRZWZRNYTRQDLH-UHFFFAOYSA-N	-2	0	224.212	1.411	10	0	in-vitro	BDAERL
CCOc1c(C)ncc(C(=O)[O-])c1C(=O)[O-]	ZINC000039123723	170513443	/nfs/dbraw/zinc/51/34/43/170513443.db2.gz	ZHJMVAKIPNZZGD-UHFFFAOYSA-N	-2	0	225.200	1.185	10	0		BDAERL
C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000049826961	177022699	/nfs/dbraw/zinc/02/26/99/177022699.db2.gz	ZOPFZPGPAKRUFE-LURJTMIESA-N	-2	0	210.185	1.237	10	0		BDAERL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(F)cc1F	ZINC000082541932	566410229	/nfs/dbraw/zinc/41/02/29/566410229.db2.gz	OFLCPOMSKLVYQP-ZETCQYMHSA-N	-2	0	230.166	1.608	10	0		BDAERL
Cc1[n-]n(-c2cccc(C)n2)c(=O)c1CC(=O)[O-]	ZINC000705826689	977295323	/nfs/dbraw/zinc/29/53/23/977295323.db2.gz	AFAZXNBGNAOOMF-VIFPVBQESA-N	-2	0	247.254	1.203	10	0		BDAERL
CC(C)(C(=O)[O-])[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000005357426	342762479	/nfs/dbraw/zinc/76/24/79/342762479.db2.gz	QSRHRQWRLFGZKS-NKWVEPMBSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])C[C@H](SC1CCCCC1)C(=O)[O-]	ZINC000148937915	342792504	/nfs/dbraw/zinc/79/25/04/342792504.db2.gz	NSCOMNKXBVIWPK-QMMMGPOBSA-N	-2	0	232.301	1.980	10	0		BDAERL
Cc1cccc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)[O-])c1	ZINC000005007690	187247671	/nfs/dbraw/zinc/24/76/71/187247671.db2.gz	INWOKZOLKGYIQG-MWLCHTKSSA-N	-2	0	236.267	1.959	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])cc([S-])c1CC(=O)[O-]	ZINC000396133770	344612269	/nfs/dbraw/zinc/61/22/69/344612269.db2.gz	AUBLWUPRWYPQAL-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1[N+](=O)[O-]	ZINC000396138198	344613913	/nfs/dbraw/zinc/61/39/13/344613913.db2.gz	QWYUKGSGTXOHIE-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
Cc1cccc(CC(C(=O)[O-])C(=O)[O-])c1	ZINC000002505288	179053064	/nfs/dbraw/zinc/05/30/64/179053064.db2.gz	XVZRMTQMSRECHB-UHFFFAOYSA-N	-2	0	208.213	1.323	10	0		BDAERL
C[C@@H]1CCC[C@H]([C@](O)(CC(=O)[O-])C(=O)[O-])C1	ZINC000725260656	538083452	/nfs/dbraw/zinc/08/34/52/538083452.db2.gz	XIBKCNUKDRNWJC-VHSKPIJISA-N	-2	0	230.260	1.103	10	0		BDAERL
O=C([O-])c1cc2c(c([S@](=O)[O-])c1)CCC2	ZINC000675059447	538483964	/nfs/dbraw/zinc/48/39/64/538483964.db2.gz	IRERLWPQKLSFCM-UHFFFAOYSA-N	-2	0	226.253	1.454	10	0		BDAERL
Nc1c(C(=O)[O-])c2cccccc-2c1C(=O)[O-]	ZINC000584657016	358308988	/nfs/dbraw/zinc/30/89/88/358308988.db2.gz	SOYIWSGGFYHBSQ-UHFFFAOYSA-N	-2	0	231.207	1.770	10	0		BDAERL
CCCCCC[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000725272999	541340337	/nfs/dbraw/zinc/34/03/37/541340337.db2.gz	OWJIAECDMCMDNK-SFYZADRCSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])c1ccc(OC2CC2)cc1C(=O)[O-]	ZINC000095735122	182570412	/nfs/dbraw/zinc/57/04/12/182570412.db2.gz	XOPJGDSIPLRYJR-UHFFFAOYSA-N	-2	0	222.196	1.624	10	0		BDAERL
O=C([O-])c1ccc2ncccc2c1C(=O)[O-]	ZINC000090685622	384067885	/nfs/dbraw/zinc/06/78/85/384067885.db2.gz	GSKOVDVWILZZOL-UHFFFAOYSA-N	-2	0	217.180	1.631	10	0		BDAERL
O=C([O-])Cc1c[nH]c2cc(CC(=O)[O-])ccc12	ZINC000090694219	384068950	/nfs/dbraw/zinc/06/89/50/384068950.db2.gz	LRVAXIGTKLVHDK-UHFFFAOYSA-N	-2	0	233.223	1.422	10	0		BDAERL
CC[C@H](C)c1c(C(=O)[O-])n[nH]c1C(=O)[O-]	ZINC000575409793	387015159	/nfs/dbraw/zinc/01/51/59/387015159.db2.gz	NOSUCAVWFLWGKQ-BYPYZUCNSA-N	-2	0	212.205	1.320	10	0		BDAERL
O=C([O-])/C=C/c1ccc(F)c(O)c1[S-]	ZINC000575705213	387408884	/nfs/dbraw/zinc/40/88/84/387408884.db2.gz	FZBJNLYJURUKGI-DUXPYHPUSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])C[C@@]1(C(=O)[O-])CCCc2ccccc21	ZINC000039269468	387492509	/nfs/dbraw/zinc/49/25/09/387492509.db2.gz	XJMMXUUSJVBAIU-ZDUSSCGKSA-N	-2	0	234.251	1.820	10	0		BDAERL
CCOc1cc(CC(=O)[O-])cc(C#N)c1[S-]	ZINC000575644871	387877709	/nfs/dbraw/zinc/87/77/09/387877709.db2.gz	JPGXFOGGCOBEBW-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc([S-])c(C(=O)[O-])c(C#N)c1	ZINC000575647413	387881758	/nfs/dbraw/zinc/88/17/58/387881758.db2.gz	QFZKKRNJVASDSL-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1c(C#N)cc([S-])cc1[C@@H](O)C(=O)[O-]	ZINC000575648639	387885478	/nfs/dbraw/zinc/88/54/78/387885478.db2.gz	WFOBDQOPKUMMOW-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1nc(C(=O)[O-])c(C(=O)[O-])s1	ZINC000039100681	171948413	/nfs/dbraw/zinc/94/84/13/171948413.db2.gz	MJEFEBYSSXBLKW-UHFFFAOYSA-N	-2	0	201.203	1.102	10	0		BDAERL
Cc1c(N)cc(C(=O)[O-])c(C)c1C(=O)[O-]	ZINC000071625257	177610539	/nfs/dbraw/zinc/61/05/39/177610539.db2.gz	FVNAQJYJLJAMLP-UHFFFAOYSA-N	-2	0	209.201	1.282	10	0		BDAERL
O=C([O-])/C(Cl)=C/C=C(\Cl)C(=O)[O-]	ZINC000013525454	560218596	/nfs/dbraw/zinc/21/85/96/560218596.db2.gz	HECLTTZJJYETPR-CCAGOZQPSA-N	-2	0	211.000	1.401	10	0	in-vitro	BDAERL
O=C([O-])c1ccn(-c2cccc(C(=O)[O-])c2)n1	ZINC000197121520	643653891	/nfs/dbraw/zinc/65/38/91/643653891.db2.gz	PMQRPCGJQODSPO-UHFFFAOYSA-N	-2	0	232.195	1.269	10	0		BDAERL
C[C@H](n1[n-]cc(CC(=O)[O-])c1=O)C(C)(C)C	ZINC000702796103	977125930	/nfs/dbraw/zinc/12/59/30/977125930.db2.gz	KNDZGSLHQOEBQC-YUMQZZPRSA-N	-2	0	226.276	1.340	10	0		BDAERL
O=C([O-])[C@@H]1C[C@]1(C(=O)[O-])c1ccccc1	ZINC000039273951	343124028	/nfs/dbraw/zinc/12/40/28/343124028.db2.gz	CPBWKVACBJABJR-KWQFWETISA-N	-2	0	206.197	1.114	10	0		BDAERL
O=C([O-])C(C(=O)[O-])C1C2CC3CC(C2)CC1C3	ZINC000036377985	187259403	/nfs/dbraw/zinc/25/94/03/187259403.db2.gz	XUQWGDVQKRXMKE-UHFFFAOYSA-N	-2	0	238.283	1.844	10	0		BDAERL
O=C([O-])c1nccc(Cl)c1C(=O)[O-]	ZINC000047818720	343565432	/nfs/dbraw/zinc/56/54/32/343565432.db2.gz	ASZRIBNKXOGEDF-UHFFFAOYSA-N	-2	0	201.565	1.131	10	0		BDAERL
O=C([O-])C(=O)C=C([O-])c1ccc(F)cc1	ZINC000019866181	343612023	/nfs/dbraw/zinc/61/20/23/343612023.db2.gz	SVVJJZMCLPHDOZ-UHFFFAOYSA-N	-2	0	210.160	1.052	10	0		BDAERL
O=C([O-])Cn1[n-]c(-c2cccs2)cc1=O	ZINC000409440592	343852929	/nfs/dbraw/zinc/85/29/29/343852929.db2.gz	UPJVRCIJBNQGPT-UHFFFAOYSA-N	-2	0	224.241	1.402	10	0		BDAERL
O=C([O-])Cc1nccc(C(F)(F)F)c1[O-]	ZINC000396125840	344609794	/nfs/dbraw/zinc/60/97/94/344609794.db2.gz	LJQCFHHYSQXKLS-UHFFFAOYSA-N	-2	0	221.134	1.433	10	0		BDAERL
COc1c([S-])cc(C#N)cc1CC(=O)[O-]	ZINC000396136146	344613141	/nfs/dbraw/zinc/61/31/41/344613141.db2.gz	KLBQTYLJUGSQFJ-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc(C#N)cc([S-])c1CC(=O)[O-]	ZINC000396137121	344613467	/nfs/dbraw/zinc/61/34/67/344613467.db2.gz	NHKSCPZCAYHGNU-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1[S-]	ZINC000396152917	344625145	/nfs/dbraw/zinc/62/51/45/344625145.db2.gz	NMMYXVCLVVEGDU-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
C[C@@H](SCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000034147048	345818287	/nfs/dbraw/zinc/81/82/87/345818287.db2.gz	RHILNMPTVNTHEN-OLQVQODUSA-N	-2	0	238.330	1.399	10	0		BDAERL
O=C([O-])c1ccc(C2CC2)nc1C(=O)[O-]	ZINC000144266233	350063631	/nfs/dbraw/zinc/06/36/31/350063631.db2.gz	PVHUHKCZFFHXAT-UHFFFAOYSA-N	-2	0	207.185	1.355	10	0		BDAERL
CCCC(CCC)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260510	538082690	/nfs/dbraw/zinc/08/26/90/538082690.db2.gz	VLJZOAPHJKSBDA-LLVKDONJSA-N	-2	0	232.276	1.493	10	0		BDAERL
O=C([O-])[C@@H](O)c1cc([O-])c(Cl)cc1Cl	ZINC000306915169	351328747	/nfs/dbraw/zinc/32/87/47/351328747.db2.gz	UDWNEBBAFARZIP-ZETCQYMHSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])c1cc(Cl)cc([S@](=O)[O-])c1F	ZINC000675060030	538485098	/nfs/dbraw/zinc/48/50/98/538485098.db2.gz	QOJHIDGAJHCMIN-UHFFFAOYSA-N	-2	0	238.623	1.758	10	0		BDAERL
O=C([O-])[C@@H]1CNc2ccccc2N1C(=O)[O-]	ZINC000616691590	369113570	/nfs/dbraw/zinc/11/35/70/369113570.db2.gz	NEIKCGQZJNZNNF-QMMMGPOBSA-N	-2	0	222.200	1.050	10	0		BDAERL
O=C([O-])/C=C(\Sc1ccc(O)cc1)C(=O)[O-]	ZINC000033373972	182408938	/nfs/dbraw/zinc/40/89/38/182408938.db2.gz	LWHTZDZFUAEPCB-YVMONPNESA-N	-2	0	240.236	1.537	10	0		BDAERL
O=C([O-])[C@@H]1c2sccc2CC[C@@H]1C(=O)[O-]	ZINC000082293162	182540563	/nfs/dbraw/zinc/54/05/63/182540563.db2.gz	LCNIXHYBJQVJCX-BQBZGAKWSA-N	-2	0	226.253	1.563	10	0		BDAERL
C[C@@H](C(=O)[O-])c1ccc(CC(=O)[O-])cc1	ZINC000115144862	384071918	/nfs/dbraw/zinc/07/19/18/384071918.db2.gz	FSVRPKNRQOOQGI-SSDOTTSWSA-N	-2	0	208.213	1.502	10	0		BDAERL
O=Cc1c(C(=O)[O-])cc([O-])cc1C(F)F	ZINC000575669978	384455500	/nfs/dbraw/zinc/45/55/00/384455500.db2.gz	UQEVYINRKLFMCF-UHFFFAOYSA-N	-2	0	216.139	1.841	10	0		BDAERL
O=C([O-])[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1F	ZINC000258823875	384674409	/nfs/dbraw/zinc/67/44/09/384674409.db2.gz	OVROISFCZURZRU-WRWORJQWSA-N	-2	0	224.187	1.253	10	0		BDAERL
O=C([O-])Cc1cc(F)c(CO)c([S-])c1	ZINC000575706477	384800011	/nfs/dbraw/zinc/80/00/11/384800011.db2.gz	WTMJCIGPRFPSOA-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])c1ccc(OC(F)F)c(O)c1[S-]	ZINC000575662091	387165562	/nfs/dbraw/zinc/16/55/62/387165562.db2.gz	QHDMDISUFFZBRY-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1cc(C#N)cc([C@H](O)C(=O)[O-])c1[S-]	ZINC000575643921	387871004	/nfs/dbraw/zinc/87/10/04/387871004.db2.gz	DKKDRUJZQJHZCZ-VIFPVBQESA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])c(C#N)c([C@@H](O)C(=O)[O-])c1	ZINC000575644808	387876443	/nfs/dbraw/zinc/87/64/43/387876443.db2.gz	JNTYDELHAPFONS-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
COc1ccccc1[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000057955188	175346339	/nfs/dbraw/zinc/34/63/39/175346339.db2.gz	QZEULVVDYKWTKI-SECBINFHSA-N	-2	0	238.239	1.728	10	0		BDAERL
CSC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000062721590	175456221	/nfs/dbraw/zinc/45/62/21/175456221.db2.gz	KOHKJUYGWPIZFV-RQJHMYQMSA-N	-2	0	216.258	1.429	10	0		BDAERL
C[C@H](C(=O)[O-])c1nc(C(=O)[O-])cs1	ZINC000083343566	176586366	/nfs/dbraw/zinc/58/63/66/176586366.db2.gz	ILHSPIVQVXILAQ-VKHMYHEASA-N	-2	0	201.203	1.029	10	0		BDAERL
COC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000037395226	712600843	/nfs/dbraw/zinc/60/08/43/712600843.db2.gz	DATJDUFTVNVZCC-UHFFFAOYSA-N	-2	0	239.183	1.261	10	0		BDAERL
CN=c1[n-]nc(SC/C(C)=C\C(=O)[O-])s1	ZINC000385254051	971991213	/nfs/dbraw/zinc/99/12/13/971991213.db2.gz	ONEZOQQRCHLHJN-HYXAFXHYSA-N	-2	0	245.329	1.125	10	0		BDAERL
Cc1ccc(Cn2[n-]cc(CC(=O)[O-])c2=O)cc1	ZINC000702823642	977127030	/nfs/dbraw/zinc/12/70/30/977127030.db2.gz	SOLMJEFVTLWEHW-NSHDSACASA-N	-2	0	246.266	1.414	10	0		BDAERL
Cc1ccc(C[C@H](C(=O)[O-])[C@H](C)C(=O)[O-])cc1	ZINC000005165943	342759539	/nfs/dbraw/zinc/75/95/39/342759539.db2.gz	XPZZWGCWZIXAAQ-ONGXEEELSA-N	-2	0	236.267	1.959	10	0		BDAERL
CC(C)(COCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000138666549	342988748	/nfs/dbraw/zinc/98/87/48/342988748.db2.gz	RZMGIAXXDGGROO-UHFFFAOYSA-N	-2	0	218.249	1.225	10	0		BDAERL
Cc1ccc2[nH]c(C(=O)[O-])nc2c1CC(=O)[O-]	ZINC000000016540	187244451	/nfs/dbraw/zinc/24/44/51/187244451.db2.gz	LAZVYPCMQDAOHB-UHFFFAOYSA-N	-2	0	234.211	1.197	10	0		BDAERL
Cc1[n-]n(C(C)(C)C)c(=O)c1CC(=O)[O-]	ZINC000100865908	187290989	/nfs/dbraw/zinc/29/09/89/187290989.db2.gz	NUIORLMWAXFUJL-SSDOTTSWSA-N	-2	0	212.249	1.094	10	0		BDAERL
N#Cc1c([S-])c(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000396160124	344632977	/nfs/dbraw/zinc/63/29/77/344632977.db2.gz	XQHMUKRMTRPJEM-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1ccc([N+](=O)[O-])c([S-])c1C(=O)[O-]	ZINC000396159785	344633088	/nfs/dbraw/zinc/63/30/88/344633088.db2.gz	IJDQOHYPYMNKJU-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CC1(C)C[C@@](C)(CC(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000238243342	344999117	/nfs/dbraw/zinc/99/91/17/344999117.db2.gz	WJWNPTTZQTWACF-GMSGAONNSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])c1cc([S@@](=O)[O-])c(Cl)cc1F	ZINC000196140856	537912916	/nfs/dbraw/zinc/91/29/16/537912916.db2.gz	IZCZXYNARZMXJF-UHFFFAOYSA-N	-2	0	238.623	1.758	10	0		BDAERL
O=C([O-])N1CC[C@H](c2nnn[n-]2)c2ccccc21	ZINC000616673762	351238031	/nfs/dbraw/zinc/23/80/31/351238031.db2.gz	FAWNLBZWKDSJFK-QMMMGPOBSA-N	-2	0	245.242	1.220	10	0		BDAERL
CCc1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675058024	538480424	/nfs/dbraw/zinc/48/04/24/538480424.db2.gz	VELYJRVSCUJCGW-UHFFFAOYSA-N	-2	0	200.215	1.707	10	0		BDAERL
CC1(C)CC(=O)C[C@H](C(C(=O)[O-])C(=O)[O-])C1	ZINC000584621535	358289274	/nfs/dbraw/zinc/28/92/74/358289274.db2.gz	VUIWVMVPXWBRPB-LURJTMIESA-N	-2	0	228.244	1.167	10	0		BDAERL
O=C([O-])c1ccccc1C[P@](=O)([O-])O	ZINC000114841144	368955369	/nfs/dbraw/zinc/95/53/69/368955369.db2.gz	CMMZFWKXZFHQDO-UHFFFAOYSA-N	-2	0	216.129	1.063	10	0		BDAERL
O=C([O-])CCCc1ccc(C(=O)[O-])cc1	ZINC000034361001	385278171	/nfs/dbraw/zinc/27/81/71/385278171.db2.gz	PESKBPYSLZKNKE-UHFFFAOYSA-N	-2	0	208.213	1.792	10	0		BDAERL
O=C([O-])/C=C\c1cccc(/C=C\C(=O)[O-])c1	ZINC000006191549	386555218	/nfs/dbraw/zinc/55/52/18/386555218.db2.gz	KRXUBZPHAPGHPE-PEPZGXQESA-N	-2	0	218.208	1.882	10	0		BDAERL
O=C([O-])c1cc(O)c(OC(F)F)c([S-])c1	ZINC000575662064	387165854	/nfs/dbraw/zinc/16/58/54/387165854.db2.gz	PZWFAUOEFPQOKK-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1cc(F)c([C@H](O)C(=O)[O-])cc1[S-]	ZINC000575701955	387406642	/nfs/dbraw/zinc/40/66/42/387406642.db2.gz	YHCDBGWZXGZBRT-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1ccc(F)c([S-])c1CO	ZINC000575705058	387408126	/nfs/dbraw/zinc/40/81/26/387408126.db2.gz	FMRHVSMZSFMKSF-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])Cc1c(F)ccc([S-])c1CO	ZINC000575704916	387409453	/nfs/dbraw/zinc/40/94/53/387409453.db2.gz	CTZXVDOKVZGKQI-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CC1=C(C)C[C@@](C)(C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000075621458	168087221	/nfs/dbraw/zinc/08/72/21/168087221.db2.gz	HVNIQRBUVMQLPV-GZMMTYOYSA-N	-2	0	212.245	1.908	10	0		BDAERL
Cc1[n-]n(C2CCCC2)c(=O)c1CC(=O)[O-]	ZINC000104168493	168134529	/nfs/dbraw/zinc/13/45/29/168134529.db2.gz	NEKIMGZLAOEMSI-VIFPVBQESA-N	-2	0	224.260	1.238	10	0		BDAERL
COc1c(C)ccc(C(=O)[O-])c1C(=O)[O-]	ZINC000238362485	174924814	/nfs/dbraw/zinc/92/48/14/174924814.db2.gz	ZNVUXRUHUYEPTL-UHFFFAOYSA-N	-2	0	210.185	1.400	10	0		BDAERL
COc1ccc(F)c(CC(C(=O)[O-])C(=O)[O-])c1	ZINC000002505408	175124563	/nfs/dbraw/zinc/12/45/63/175124563.db2.gz	JCWFERLHIZDKFG-UHFFFAOYSA-N	-2	0	242.202	1.162	10	0		BDAERL
C[C@@H](Sc1ccc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000043623771	176009670	/nfs/dbraw/zinc/00/96/70/176009670.db2.gz	NKPQTCAPWWIKDI-RXMQYKEDSA-N	-2	0	227.241	1.345	10	0		BDAERL
C[C@H](Oc1ccccc1/C=C/C(=O)[O-])C(=O)[O-]	ZINC000043630299	177024714	/nfs/dbraw/zinc/02/47/14/177024714.db2.gz	ZYDCUUBXCLOFGM-CZEYKFRCSA-N	-2	0	236.223	1.636	10	0		BDAERL
O=C([O-])c1ccc([C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000616611710	349467488	/nfs/dbraw/zinc/46/74/88/349467488.db2.gz	LVCNZOLXRPKIEI-SNVBAGLBSA-N	-2	0	235.239	1.852	10	0		BDAERL
CC(C)(C(=O)[O-])[C@@H]1CC[C@@H](C(=O)[O-])C1	ZINC000005357429	342762551	/nfs/dbraw/zinc/76/25/51/342762551.db2.gz	QSRHRQWRLFGZKS-RNFRBKRXSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])C[C@@H](SC1CCCCC1)C(=O)[O-]	ZINC000148938042	342792604	/nfs/dbraw/zinc/79/26/04/342792604.db2.gz	NSCOMNKXBVIWPK-MRVPVSSYSA-N	-2	0	232.301	1.980	10	0		BDAERL
Cc1ccccc1[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000196206206	539011515	/nfs/dbraw/zinc/01/15/15/539011515.db2.gz	XERCELLXXQEWDV-SKDRFNHKSA-N	-2	0	220.224	1.422	10	0		BDAERL
Cc1ccccc1[C@@]1(C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000196206214	539011708	/nfs/dbraw/zinc/01/17/08/539011708.db2.gz	XERCELLXXQEWDV-CABZTGNLSA-N	-2	0	220.224	1.422	10	0		BDAERL
O=C([O-])[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000034217012	343266506	/nfs/dbraw/zinc/26/65/06/343266506.db2.gz	MNQNHAXVLUCZMI-IUCAKERBSA-N	-2	0	206.197	1.427	10	0		BDAERL
COc1c(C#N)cc([S-])cc1CC(=O)[O-]	ZINC000396135336	344613229	/nfs/dbraw/zinc/61/32/29/344613229.db2.gz	HWHMTZNYVTYNCS-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc([S-])c(C#N)cc1CC(=O)[O-]	ZINC000396137759	344614052	/nfs/dbraw/zinc/61/40/52/344614052.db2.gz	PRWREUIYXFPVKF-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1ccc([S-])c(C=O)c1CC(=O)[O-]	ZINC000396138547	344614675	/nfs/dbraw/zinc/61/46/75/344614675.db2.gz	RQKONCLWUCOMTB-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc(C(=O)[O-])c([S-])cc1[N+](=O)[O-]	ZINC000396168211	344637445	/nfs/dbraw/zinc/63/74/45/344637445.db2.gz	RBEOZXYCGDEDGB-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
Cc1cccc(C(=O)[O-])c1CCC(=O)[O-]	ZINC000062721079	179026126	/nfs/dbraw/zinc/02/61/26/179026126.db2.gz	MQVRBCAPRQJDOQ-UHFFFAOYSA-N	-2	0	208.213	1.710	10	0		BDAERL
O=C([O-])C(=Cc1ccc(F)cc1)C(=O)[O-]	ZINC000002505038	346509442	/nfs/dbraw/zinc/50/94/42/346509442.db2.gz	RMSIPSHUFIYLFG-UHFFFAOYSA-N	-2	0	210.160	1.378	10	0		BDAERL
O=C([O-])C(Cc1ccccc1F)C(=O)[O-]	ZINC000002505287	187472844	/nfs/dbraw/zinc/47/28/44/187472844.db2.gz	QIIZJSBWPFJSAH-UHFFFAOYSA-N	-2	0	212.176	1.154	10	0		BDAERL
CC(=O)Nc1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000001684373	188100350	/nfs/dbraw/zinc/10/03/50/188100350.db2.gz	KFABBSXAHCCRSK-UHFFFAOYSA-N	-2	0	223.184	1.041	10	0		BDAERL
O=C([O-])C/C(=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000057952809	188179492	/nfs/dbraw/zinc/17/94/92/188179492.db2.gz	IFXFDOWFJTWANQ-VMPITWQZSA-N	-2	0	224.187	1.768	10	0		BDAERL
COc1ccc(/C=C/C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675059623	538485066	/nfs/dbraw/zinc/48/50/66/538485066.db2.gz	KMOQKKXBIUHCIY-HWKANZROSA-N	-2	0	242.252	1.374	10	0		BDAERL
Cc1cscc1-c1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000087288979	538566843	/nfs/dbraw/zinc/56/68/43/538566843.db2.gz	QAYOUVNUTIFZQB-UHFFFAOYSA-N	-2	0	236.252	1.505	10	0		BDAERL
CCCCCC[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000725272997	541340571	/nfs/dbraw/zinc/34/05/71/541340571.db2.gz	OWJIAECDMCMDNK-HTQZYQBOSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])/C=C(\C(=O)[O-])c1ccc(Cl)s1	ZINC000049822631	182408798	/nfs/dbraw/zinc/40/87/98/182408798.db2.gz	NPHQRWWXPFKGHL-ARJAWSKDSA-N	-2	0	232.644	1.954	10	0		BDAERL
O=C([O-])Cc1c2cc(F)ccc2[nH]c1C(=O)[O-]	ZINC000000013233	182488242	/nfs/dbraw/zinc/48/82/42/182488242.db2.gz	XICVSOJBZNERDS-UHFFFAOYSA-N	-2	0	237.186	1.632	10	0		BDAERL
O=C([O-])c1ccc(OC2CC2)c(C(=O)[O-])c1	ZINC000095735082	182571340	/nfs/dbraw/zinc/57/13/40/182571340.db2.gz	YJHGOWGSPIKGJL-UHFFFAOYSA-N	-2	0	222.196	1.624	10	0		BDAERL
C#CC[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000196030001	384668073	/nfs/dbraw/zinc/66/80/73/384668073.db2.gz	YGRHPQBMYXSWPB-JTQLQIEISA-N	-2	0	232.235	1.579	10	0		BDAERL
O=C([O-])[C@@H]1C[C@@]1(C(=O)[O-])c1ccc(F)cc1	ZINC000258719718	384645003	/nfs/dbraw/zinc/64/50/03/384645003.db2.gz	IFOKEJNJQTYCEI-GZMMTYOYSA-N	-2	0	224.187	1.253	10	0		BDAERL
O=C([O-])Cc1ccc([S-])c(O)c1F	ZINC000575704548	387402363	/nfs/dbraw/zinc/40/23/63/387402363.db2.gz	AXLLIUMHKQVIFM-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCOc1cc([S-])c(CC(=O)[O-])cc1C#N	ZINC000575648832	387885917	/nfs/dbraw/zinc/88/59/17/387885917.db2.gz	VCWCTSHLAXJGHQ-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCc1[n-]n2c(nc(C(C)C)cc2=O)c1C(=O)[O-]	ZINC000073738050	172045105	/nfs/dbraw/zinc/04/51/05/172045105.db2.gz	PFSTZKSFEYVXJM-UHFFFAOYSA-N	-2	0	249.270	1.407	10	0		BDAERL
COC(=O)c1c([O-])[n-]c2c(C)csc2c1=O	ZINC000096033069	173844099	/nfs/dbraw/zinc/84/40/99/173844099.db2.gz	BQNQTRJDSHIOKA-UHFFFAOYSA-N	-2	0	239.252	1.803	10	0		BDAERL
COc1cccc(CC(C)(C(=O)[O-])C(=O)[O-])c1	ZINC000057529215	175250876	/nfs/dbraw/zinc/25/08/76/175250876.db2.gz	XUQKZJDLZALQRJ-UHFFFAOYSA-N	-2	0	238.239	1.413	10	0		BDAERL
C[C@@H](Oc1ccccc1/C=C/C(=O)[O-])C(=O)[O-]	ZINC000043630301	176005290	/nfs/dbraw/zinc/00/52/90/176005290.db2.gz	ZYDCUUBXCLOFGM-HYDMIIDASA-N	-2	0	236.223	1.636	10	0		BDAERL
CC[C@H]1CC[C@@H]([C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000039101785	343383969	/nfs/dbraw/zinc/38/39/69/343383969.db2.gz	WAKRMWHPHQARDY-DJLDLDEBSA-N	-2	0	214.261	1.988	10	0		BDAERL
N#Cc1cc(C(=O)[O-])cc([O-])c1C(F)(F)F	ZINC000396149361	344622959	/nfs/dbraw/zinc/62/29/59/344622959.db2.gz	IOIPAUATEADQRG-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
N#Cc1c([N+](=O)[O-])ccc([S-])c1C(=O)[O-]	ZINC000396157998	344629285	/nfs/dbraw/zinc/62/92/85/344629285.db2.gz	VCDNIHLVOZKKMO-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
C[C@@H](SCCS[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000034147049	345818260	/nfs/dbraw/zinc/81/82/60/345818260.db2.gz	RHILNMPTVNTHEN-PHDIDXHHSA-N	-2	0	238.330	1.399	10	0		BDAERL
O=C([O-])[C@@H]1[C@H]2CC[C@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000004321981	187410598	/nfs/dbraw/zinc/41/05/98/187410598.db2.gz	PXKSVNOELLJRND-SPJNRGJMSA-N	-2	0	212.245	1.598	10	0		BDAERL
O=C([O-])C[C@](O)(CCC1CCCC1)C(=O)[O-]	ZINC000725260805	538084498	/nfs/dbraw/zinc/08/44/98/538084498.db2.gz	ZUGZFEFSAGFZTF-LLVKDONJSA-N	-2	0	230.260	1.247	10	0		BDAERL
O=C([O-])N1c2ccccc2CC[C@@H]1c1nnn[n-]1	ZINC000616668342	351230510	/nfs/dbraw/zinc/23/05/10/351230510.db2.gz	VAWUMJHJSHSUJD-SECBINFHSA-N	-2	0	245.242	1.372	10	0		BDAERL
O=c1[n-]c(C(F)(F)F)nc([O-])c1CCF	ZINC000606302857	351556758	/nfs/dbraw/zinc/55/67/58/351556758.db2.gz	ABJKUCQWYPBYLY-UHFFFAOYSA-N	-2	0	226.129	1.419	10	0		BDAERL
Cn1ccc2cc(C(=O)[O-])c(C(=O)[O-])cc21	ZINC000039119265	188109911	/nfs/dbraw/zinc/10/99/11/188109911.db2.gz	SZGMVGFCVVQIGU-UHFFFAOYSA-N	-2	0	219.196	1.575	10	0		BDAERL
O=C([O-])C(C(=O)[O-])[C@@H]1CCC=CCCC1	ZINC000013471460	188165854	/nfs/dbraw/zinc/16/58/54/188165854.db2.gz	YTNDGIXOZCDSOT-MRVPVSSYSA-N	-2	0	212.245	1.908	10	0		BDAERL
Cc1ccc(F)cc1[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000675055845	538476321	/nfs/dbraw/zinc/47/63/21/538476321.db2.gz	ZOSNVOPLESBNMY-SECBINFHSA-N	-2	0	226.203	1.777	10	0		BDAERL
Cc1ccc([C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000675055821	538476615	/nfs/dbraw/zinc/47/66/15/538476615.db2.gz	ZBLWYDZSRPSVRW-QMMMGPOBSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])c1ccc2ccc(C(=O)[O-])nc2n1	ZINC000039306755	358222160	/nfs/dbraw/zinc/22/21/60/358222160.db2.gz	QMLKMVUDVDYESY-UHFFFAOYSA-N	-2	0	218.168	1.026	10	0		BDAERL
Cc1c(C(=O)[O-])cc(Cl)cc1[S@](=O)[O-]	ZINC000307401615	541315594	/nfs/dbraw/zinc/31/55/94/541315594.db2.gz	CQPQWELMJCPYBA-UHFFFAOYSA-N	-2	0	234.660	1.927	10	0		BDAERL
O=C([O-])[C@@H](O)c1ccc(Cl)c([O-])c1Cl	ZINC000307339405	372112928	/nfs/dbraw/zinc/11/29/28/372112928.db2.gz	IGRSGKLKOKQSTO-LURJTMIESA-N	-2	0	237.038	1.817	10	0		BDAERL
CCc1c(C#N)ccc([C@@H](O)C(=O)[O-])c1[S-]	ZINC000575644962	383819370	/nfs/dbraw/zinc/81/93/70/383819370.db2.gz	KQKCZXGPTWQAHP-SECBINFHSA-N	-2	0	237.280	1.527	10	0		BDAERL
C[C@H](/C=C/C(=O)[O-])COC[C@H](C)/C=C/C(=O)[O-]	ZINC000087491341	383846661	/nfs/dbraw/zinc/84/66/61/383846661.db2.gz	FDUBMLURRHGVRD-BNCPEGEKSA-N	-2	0	242.271	1.557	10	0		BDAERL
O=C([O-])CC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000006575206	384158182	/nfs/dbraw/zinc/15/81/82/384158182.db2.gz	GUUZXORJVABSSF-SNVBAGLBSA-N	-2	0	222.240	1.795	10	0		BDAERL
O=C([O-])c1cc(OC(F)F)c([S-])cc1O	ZINC000575661811	387105418	/nfs/dbraw/zinc/10/54/18/387105418.db2.gz	MOWAYUZSXDCSME-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])c1cc([S-])cc(O)c1OC(F)F	ZINC000575661552	387106880	/nfs/dbraw/zinc/10/68/80/387106880.db2.gz	IPGTWBXEWAZBOX-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])Cc1cc(F)cc(CO)c1[S-]	ZINC000575704895	387408311	/nfs/dbraw/zinc/40/83/11/387408311.db2.gz	CQOBAWAGIXVHFY-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCc1cc(C#N)c([S-])cc1[C@@H](O)C(=O)[O-]	ZINC000575644565	387876927	/nfs/dbraw/zinc/87/69/27/387876927.db2.gz	HWEDNACLULWRIP-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])c([C@H](O)C(=O)[O-])c(C#N)c1	ZINC000575646557	387882135	/nfs/dbraw/zinc/88/21/35/387882135.db2.gz	OSIMLKKYXMPMDA-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000037395589	409739136	/nfs/dbraw/zinc/73/91/36/409739136.db2.gz	URFOBMAEWASLQK-QMMMGPOBSA-N	-2	0	245.275	1.001	10	0		BDAERL
CC1=C(CC(=O)[O-])CC[C@]1(C)CS(=O)(=O)[O-]	ZINC000026481087	168086769	/nfs/dbraw/zinc/08/67/69/168086769.db2.gz	XWCWIRVBNRHIHU-SNVBAGLBSA-N	-2	0	248.300	1.466	10	0		BDAERL
COc1ccc2nc(C(=O)[O-])c(C(=O)[O-])cc2c1	ZINC000032099218	175227674	/nfs/dbraw/zinc/22/76/74/175227674.db2.gz	XHNRULRQAVVDBH-UHFFFAOYSA-N	-2	0	247.206	1.640	10	0		BDAERL
Cc1oc(C)c([S@](=O)[O-])c1C(=O)[O-]	ZINC000675062102	566449787	/nfs/dbraw/zinc/44/97/87/566449787.db2.gz	DVNRFJNSJNYYND-UHFFFAOYSA-N	-2	0	204.203	1.175	10	0		BDAERL
C[C@@H](C(=O)[O-])[C@H]1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000100778222	571827260	/nfs/dbraw/zinc/82/72/60/571827260.db2.gz	OIFCPZGZZQQDNO-XUTVFYLZSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
O=C([O-])c1cc(F)c(C(=O)[O-])c(F)c1	ZINC000114059319	588865664	/nfs/dbraw/zinc/86/56/64/588865664.db2.gz	OHLHLWHVHGVUCU-UHFFFAOYSA-N	-2	0	202.112	1.361	10	0		BDAERL
CCc1ccc([C@@]2(C(=O)[O-])C[C@@H]2C(=O)[O-])cc1	ZINC000258875616	349519198	/nfs/dbraw/zinc/51/91/98/349519198.db2.gz	SHAVDKKGZNSPER-MFKMUULPSA-N	-2	0	234.251	1.676	10	0		BDAERL
CCCC(C(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000139902386	538950834	/nfs/dbraw/zinc/95/08/34/538950834.db2.gz	OBOGEABBZDRUAH-UHFFFAOYSA-N	-2	0	222.240	1.894	10	0		BDAERL
C[C@@]1(C(=O)[O-])CCC[C@](C)(C(=O)[O-])C1	ZINC000238460124	343257295	/nfs/dbraw/zinc/25/72/95/343257295.db2.gz	SKWQUQSBBLGLTG-AOOOYVTPSA-N	-2	0	200.234	1.742	10	0		BDAERL
COc1cc([S-])c(CC(=O)[O-])cc1C#N	ZINC000396134465	344612581	/nfs/dbraw/zinc/61/25/81/344612581.db2.gz	DLOGEZHMVBGZIK-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396136638	344613533	/nfs/dbraw/zinc/61/35/33/344613533.db2.gz	LONKUFVAFIHWEJ-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c(C=O)cc1[S-]	ZINC000396136713	344613601	/nfs/dbraw/zinc/61/36/01/344613601.db2.gz	MMPJPIAMHWVSRR-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])cc([S-])c1C(=O)[O-]	ZINC000396149363	344622853	/nfs/dbraw/zinc/62/28/53/344622853.db2.gz	IOSGMHDLYBILAB-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CC1(c2ncc(C(=O)[O-])c(=O)[nH]2)CCC1	ZINC000669378256	537967876	/nfs/dbraw/zinc/96/78/76/537967876.db2.gz	BLPCDCUZNLGURW-UHFFFAOYSA-N	-2	0	208.217	1.322	10	0		BDAERL
O=C([O-])c1ccc(-c2cccc(C(=O)[O-])n2)nc1	ZINC000202782187	350066142	/nfs/dbraw/zinc/06/61/42/350066142.db2.gz	DLLMWDJOFJHBEI-UHFFFAOYSA-N	-2	0	244.206	1.540	10	0		BDAERL
Cc1nc(SCC(=O)[O-])sc1CC(=O)[O-]	ZINC000034123879	180031397	/nfs/dbraw/zinc/03/13/97/180031397.db2.gz	XPRKSZQUHUTHHF-UHFFFAOYSA-N	-2	0	247.297	1.255	10	0		BDAERL
Cc1nc([C@H](C)C(=O)[O-])sc1C(=O)[O-]	ZINC000083348140	180046925	/nfs/dbraw/zinc/04/69/25/180046925.db2.gz	UWYXTYPYRWSVLP-VKHMYHEASA-N	-2	0	215.230	1.338	10	0		BDAERL
O=C([O-])[C@@H](O)c1cc(Cl)cc([O-])c1Cl	ZINC000307012747	351420026	/nfs/dbraw/zinc/42/00/26/351420026.db2.gz	QGBIMCUDPQRWGS-ZETCQYMHSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])c1cnn(Cc2ccc(C(=O)[O-])cc2)c1	ZINC000020314319	188108402	/nfs/dbraw/zinc/10/84/02/188108402.db2.gz	BWZGZLQFSUVRBT-UHFFFAOYSA-N	-2	0	246.222	1.328	10	0		BDAERL
CC(C)[C@H](S[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000058262081	188183894	/nfs/dbraw/zinc/18/38/94/188183894.db2.gz	GJJFRRLPAIHNDW-WDSKDSINSA-N	-2	0	206.263	1.302	10	0		BDAERL
O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])c1ccc(F)cc1	ZINC000258719725	538795897	/nfs/dbraw/zinc/79/58/97/538795897.db2.gz	IFOKEJNJQTYCEI-LDYMZIIASA-N	-2	0	224.187	1.253	10	0		BDAERL
CCc1cc(Cl)nc(P(=O)([O-])[O-])c1CC	ZINC000584602794	358260572	/nfs/dbraw/zinc/26/05/72/358260572.db2.gz	ZTRVGSMVYDCPDO-UHFFFAOYSA-N	-2	0	249.634	1.663	10	0		BDAERL
O=C([O-])C[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000038436793	368326769	/nfs/dbraw/zinc/32/67/69/368326769.db2.gz	SJKXNHTVHUHAOG-QMMMGPOBSA-N	-2	0	247.250	1.886	10	0		BDAERL
O=C([O-])c1ccc2cccc(C(=O)[O-])c2n1	ZINC000144233807	374280465	/nfs/dbraw/zinc/28/04/65/374280465.db2.gz	WHSSOGYCQXMHCL-UHFFFAOYSA-N	-2	0	217.180	1.631	10	0		BDAERL
CC(C(=O)[O-])(C(=O)[O-])C1CCCCC1	ZINC000004831064	384357177	/nfs/dbraw/zinc/35/71/77/384357177.db2.gz	HJIYLCWBQJVJHU-UHFFFAOYSA-N	-2	0	200.234	1.742	10	0		BDAERL
CCc1cc([S-])c(F)cc1[C@H](O)C(=O)[O-]	ZINC000575700255	384736508	/nfs/dbraw/zinc/73/65/08/384736508.db2.gz	AARNZPWTXAUPDT-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1ccc([C@@H](O)C(=O)[O-])c(F)c1[S-]	ZINC000575701622	384750986	/nfs/dbraw/zinc/75/09/86/384750986.db2.gz	RQDQZCBLMUVQEY-MRVPVSSYSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=Cc1cc(C(=O)[O-])c(OC(F)F)cc1O	ZINC000575661009	387054579	/nfs/dbraw/zinc/05/45/79/387054579.db2.gz	DLUDDFJZMKSKBN-UHFFFAOYSA-N	-2	0	232.138	1.504	10	0		BDAERL
O=C([O-])c1cc(O)cc([S-])c1OC(F)F	ZINC000575661210	387065749	/nfs/dbraw/zinc/06/57/49/387065749.db2.gz	AVEHFURLDJAVRX-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])Cc1cc(O)c(F)c([S-])c1	ZINC000575704526	387402294	/nfs/dbraw/zinc/40/22/94/387402294.db2.gz	ARPQKYREJITPMI-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1ccc([S-])c(F)c1[C@H](O)C(=O)[O-]	ZINC000575701606	387405825	/nfs/dbraw/zinc/40/58/25/387405825.db2.gz	RAAUFZKUKAKADL-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])C[C@]1(C(=O)[O-])CCCc2ccccc21	ZINC000039269469	387491200	/nfs/dbraw/zinc/49/12/00/387491200.db2.gz	XJMMXUUSJVBAIU-CYBMUJFWSA-N	-2	0	234.251	1.820	10	0		BDAERL
O=C([O-])CC[C@@H](C(=O)[O-])C(F)(F)F	ZINC000034743158	134601333	/nfs/dbraw/zinc/60/13/33/134601333.db2.gz	KPKIOVNMEYGKJZ-VKHMYHEASA-N	-2	0	200.112	1.114	10	0		BDAERL
COc1ccc(C(=O)[O-])cc1O[C@H](C)C(=O)[O-]	ZINC000034409482	175064763	/nfs/dbraw/zinc/06/47/63/175064763.db2.gz	IPYRVBLQQGRLNY-ZCFIWIBFSA-N	-2	0	240.211	1.245	10	0		BDAERL
COc1cncc([N-]C(=S)[S-])c1	ZINC000039117509	175386436	/nfs/dbraw/zinc/38/64/36/175386436.db2.gz	PQGSFIOSGUFIJL-UHFFFAOYSA-N	-2	0	200.288	1.717	10	0		BDAERL
C[C@H](C(=O)[O-])[C@@H](CC(=O)[O-])c1ccccc1	ZINC000039329328	176584410	/nfs/dbraw/zinc/58/44/10/176584410.db2.gz	RSUWYAPAJXVXAU-WCBMZHEXSA-N	-2	0	222.240	1.966	10	0		BDAERL
C[C@H]1CCC(C(=O)[O-])(C(=O)[O-])C[C@@H]1C	ZINC000075601542	177068997	/nfs/dbraw/zinc/06/89/97/177068997.db2.gz	QFKSUEKEZXQGGY-BQBZGAKWSA-N	-2	0	200.234	1.598	10	0		BDAERL
CCCCCC[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259655	582802831	/nfs/dbraw/zinc/80/28/31/582802831.db2.gz	FRMCXIDOMSABGB-SNVBAGLBSA-N	-2	0	218.249	1.247	10	0		BDAERL
CCN=c1[n-]nc(S[C@@H](CC)C(=O)[O-])s1	ZINC000380095385	971675128	/nfs/dbraw/zinc/67/51/28/971675128.db2.gz	KDHPZYXMNQPQHW-YFKPBYRVSA-N	-2	0	247.345	1.347	10	0		BDAERL
CN=c1[n-]nc(SC/C(C)=C/C(=O)[O-])s1	ZINC000385254050	971990994	/nfs/dbraw/zinc/99/09/94/971990994.db2.gz	ONEZOQQRCHLHJN-HWKANZROSA-N	-2	0	245.329	1.125	10	0		BDAERL
Cc1ccccc1Cn1[n-]cc(CC(=O)[O-])c1=O	ZINC000702822027	977127196	/nfs/dbraw/zinc/12/71/96/977127196.db2.gz	DUUMYWNVOCLHAO-NSHDSACASA-N	-2	0	246.266	1.414	10	0		BDAERL
Cc1ccccc1Cn1[n-]cc(CC(=O)[O-])c1=O	ZINC000702822023	977127214	/nfs/dbraw/zinc/12/72/14/977127214.db2.gz	DUUMYWNVOCLHAO-LLVKDONJSA-N	-2	0	246.266	1.414	10	0		BDAERL
Cc1[n-]n(-c2cccc(C)n2)c(=O)c1CC(=O)[O-]	ZINC000705826686	977295772	/nfs/dbraw/zinc/29/57/72/977295772.db2.gz	AFAZXNBGNAOOMF-SECBINFHSA-N	-2	0	247.254	1.203	10	0		BDAERL
Cc1cc(C(=O)[O-])cc([S@](=O)[O-])c1C	ZINC000143474430	361755409	/nfs/dbraw/zinc/75/54/09/361755409.db2.gz	LMPMQNHRDZSEQW-UHFFFAOYSA-N	-2	0	214.242	1.582	10	0		BDAERL
Cc1[n-]n(-c2cc(C(=O)[O-])ccn2)c(=O)c1C	ZINC000146865500	342772669	/nfs/dbraw/zinc/77/26/69/342772669.db2.gz	ZTSZMVPLKHSHGA-UHFFFAOYSA-N	-2	0	233.227	1.288	10	0		BDAERL
O=C([O-])c1ccnc(-n2[n-]c(C3CC3)cc2=O)c1	ZINC000148178309	342788878	/nfs/dbraw/zinc/78/88/78/342788878.db2.gz	WEZPYYZPYXGXHK-UHFFFAOYSA-N	-2	0	245.238	1.549	10	0		BDAERL
CCC(Cc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000034538154	346903500	/nfs/dbraw/zinc/90/35/00/346903500.db2.gz	ZXABGPBQPJYBSJ-UHFFFAOYSA-N	-2	0	222.240	1.795	10	0		BDAERL
O=C([O-])c1ccc2[n-]c(=S)[nH]c(=O)c2c1	ZINC000033650441	343258294	/nfs/dbraw/zinc/25/82/94/343258294.db2.gz	JUEVRDXLTGJBSO-UHFFFAOYSA-N	-2	0	222.225	1.284	10	0		BDAERL
CC[C@@H](C(=O)[O-])[C@@](CC)(C(C)=O)C(=O)[O-]	ZINC000148466712	343391909	/nfs/dbraw/zinc/39/19/09/343391909.db2.gz	GZRBFPCMWOPYMQ-OIBJUYFYSA-N	-2	0	216.233	1.167	10	0		BDAERL
O=C([O-])c1cc([O-])c(Br)c(F)c1	ZINC000216947094	344190896	/nfs/dbraw/zinc/19/08/96/344190896.db2.gz	RQUBIQLXEWJDIT-UHFFFAOYSA-N	-2	0	235.008	1.992	10	0		BDAERL
N#Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[S-]	ZINC000396172750	344631406	/nfs/dbraw/zinc/63/14/06/344631406.db2.gz	ZEKYXWPMNXCTBE-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1cc(C(F)F)c([O-])cc1C(=O)[O-]	ZINC000396172156	344631574	/nfs/dbraw/zinc/63/15/74/344631574.db2.gz	XQLHKDVUTHGCGU-UHFFFAOYSA-N	-2	0	213.139	1.900	10	0		BDAERL
N#Cc1ccc([N+](=O)[O-])c(C(=O)[O-])c1[S-]	ZINC000396159703	344633035	/nfs/dbraw/zinc/63/30/35/344633035.db2.gz	XKHAWHXFWBGULZ-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1cc(C(=O)[O-])cc(C(F)(F)F)c1[O-]	ZINC000396161981	344634379	/nfs/dbraw/zinc/63/43/79/344634379.db2.gz	ZNHYIXOWRDORDB-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
COc1cccc(C(C)(C(=O)[O-])C(=O)[O-])c1	ZINC000077336584	537943842	/nfs/dbraw/zinc/94/38/42/537943842.db2.gz	HQLDQBSOCUNAFF-UHFFFAOYSA-N	-2	0	224.212	1.122	10	0		BDAERL
Cc1[n-]n2c(nc(C(C)C)cc2=O)c1C(=O)[O-]	ZINC000073738029	180393565	/nfs/dbraw/zinc/39/35/65/180393565.db2.gz	GZZDMZFKBHPFQE-UHFFFAOYSA-N	-2	0	235.243	1.153	10	0		BDAERL
O=C([O-])N1c2ccccc2CC[C@H]1c1nnn[n-]1	ZINC000616668341	351230403	/nfs/dbraw/zinc/23/04/03/351230403.db2.gz	VAWUMJHJSHSUJD-VIFPVBQESA-N	-2	0	245.242	1.372	10	0		BDAERL
O=C([O-])CCC(=O)c1ccc([S@](=O)[O-])cc1	ZINC000675062219	538488480	/nfs/dbraw/zinc/48/84/80/538488480.db2.gz	LVWQEYAQFCAUSX-UHFFFAOYSA-N	-2	0	242.252	1.315	10	0		BDAERL
O=C([O-])c1cncc(O)c1C(F)(F)F	ZINC000306596895	360518219	/nfs/dbraw/zinc/51/82/19/360518219.db2.gz	NJASQUNSQIKUHB-UHFFFAOYSA-N	-2	0	207.107	1.504	10	0		BDAERL
CC(C)c1cc(C(=O)[O-])cc(C(=O)[O-])c1O	ZINC000003101776	371873700	/nfs/dbraw/zinc/87/37/00/371873700.db2.gz	VZLMFHBWWLENPY-UHFFFAOYSA-N	-2	0	224.212	1.912	10	0		BDAERL
O=C([O-])c1cc(Br)c(C(=O)[O-])cn1	ZINC000095763407	182552088	/nfs/dbraw/zinc/55/20/88/182552088.db2.gz	PTSVLXDMJORZMO-UHFFFAOYSA-N	-2	0	246.016	1.241	10	0		BDAERL
O=C([O-])c1cc(C(=O)[O-])c(Br)cn1	ZINC000034258783	182554047	/nfs/dbraw/zinc/55/40/47/182554047.db2.gz	UPBZQBCIDMMAFV-UHFFFAOYSA-N	-2	0	246.016	1.241	10	0		BDAERL
CCc1cc([S-])c([C@H](O)C(=O)[O-])cc1C#N	ZINC000575648772	383912026	/nfs/dbraw/zinc/91/20/26/383912026.db2.gz	YCMXQBFALNOPBF-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])Cc1ccc(OC(F)F)c(F)c1O	ZINC000575660380	384409748	/nfs/dbraw/zinc/40/97/48/384409748.db2.gz	YMSGRDPHKVGDRK-UHFFFAOYSA-N	-2	0	236.145	1.760	10	0		BDAERL
C[C@H]1[C@@H](C(=O)[O-])C[C@@H](C(=O)[O-])C1(C)C	ZINC000016134054	384454124	/nfs/dbraw/zinc/45/41/24/384454124.db2.gz	VWSICSGXUBUSMN-ACZMJKKPSA-N	-2	0	200.234	1.454	10	0		BDAERL
CCc1cc([S-])cc([C@@H](O)C(=O)[O-])c1F	ZINC000575701056	384746168	/nfs/dbraw/zinc/74/61/68/384746168.db2.gz	HCTOUYBXCUQTTE-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])/C=C/c1cc(F)cc([S-])c1O	ZINC000575705220	384790593	/nfs/dbraw/zinc/79/05/93/384790593.db2.gz	GKJIYPZUJPVXFS-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])/C=C/c1cc([S-])c(F)cc1O	ZINC000575706479	384800425	/nfs/dbraw/zinc/80/04/25/384800425.db2.gz	WWSZFLQCDUTALY-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])Cc1cc([S-])cc(O)c1F	ZINC000575706240	384801454	/nfs/dbraw/zinc/80/14/54/384801454.db2.gz	UFDZASSPGKQUEV-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])CC[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000238640866	385261121	/nfs/dbraw/zinc/26/11/21/385261121.db2.gz	VQEXEEJSYVCBIM-BYPYZUCNSA-N	-2	0	214.139	1.504	10	0		BDAERL
O=C([O-])c1cc(O)cc(OC(F)F)c1[S-]	ZINC000575661826	387104762	/nfs/dbraw/zinc/10/47/62/387104762.db2.gz	MTKZOUGZDKEKMF-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1cc([S-])cc(F)c1[C@H](O)C(=O)[O-]	ZINC000575701171	387404863	/nfs/dbraw/zinc/40/48/63/387404863.db2.gz	KCZCBSHLJKMBAE-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc(CO)c([S-])cc1F	ZINC000575705218	387408321	/nfs/dbraw/zinc/40/83/21/387408321.db2.gz	GINYZCCJJHZEDU-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])C[C@@]1(C(=O)[O-])CCc2ccccc2C1	ZINC000039120875	387489738	/nfs/dbraw/zinc/48/97/38/387489738.db2.gz	KKQPZUSXOGXWFQ-CYBMUJFWSA-N	-2	0	234.251	1.721	10	0		BDAERL
O=C([O-])C1=CNC=C(C(=O)[O-])C1c1ccccc1	ZINC000039284217	387492465	/nfs/dbraw/zinc/49/24/65/387492465.db2.gz	XIGCUCWPRLAFFR-UHFFFAOYSA-N	-2	0	245.234	1.310	10	0		BDAERL
CCOc1c([S-])cc(C(=O)[O-])cc1C#N	ZINC000575647336	387882707	/nfs/dbraw/zinc/88/27/07/387882707.db2.gz	PTGGPXJHJXFEOW-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
COc1ccc(C(=O)[O-])c(O[C@@H](C)C(=O)[O-])c1	ZINC000043629390	175064920	/nfs/dbraw/zinc/06/49/20/175064920.db2.gz	QZRZBBFQYWSTHQ-LURJTMIESA-N	-2	0	240.211	1.245	10	0		BDAERL
C[C@@H](C(=O)[O-])/C(=C\c1cccn1C)C(=O)[O-]	ZINC000082290852	175622424	/nfs/dbraw/zinc/62/24/24/175622424.db2.gz	OKKPYKYUWHHUOS-TUOMEMKJSA-N	-2	0	223.228	1.214	10	0		BDAERL
C[C@H](Sc1ccc(C(=O)[O-])cn1)C(=O)[O-]	ZINC000043623769	177028955	/nfs/dbraw/zinc/02/89/55/177028955.db2.gz	NKPQTCAPWWIKDI-YFKPBYRVSA-N	-2	0	227.241	1.345	10	0		BDAERL
C[C@@H]1CC(C(=O)[O-])(C(=O)[O-])CC[C@@H]1C	ZINC000075601544	177068799	/nfs/dbraw/zinc/06/87/99/177068799.db2.gz	QFKSUEKEZXQGGY-NKWVEPMBSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])C(=O)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000001529921	560181190	/nfs/dbraw/zinc/18/11/90/560181190.db2.gz	NPVWMTXVBADMFC-UHFFFAOYSA-N	-2	0	249.049	1.895	10	0	in-vitro	BDAERL
CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[O-])cc1	ZINC000217465281	583178780	/nfs/dbraw/zinc/17/87/80/583178780.db2.gz	GXOHQWCVOYSGQX-UHFFFAOYSA-N	-2	0	244.268	1.296	10	0		BDAERL
O=C([O-])Cc1c[n-]n(Cc2ccccc2)c1=O	ZINC000702815042	977127118	/nfs/dbraw/zinc/12/71/18/977127118.db2.gz	LDXWVTBUIPLAGG-JTQLQIEISA-N	-2	0	232.239	1.106	10	0		BDAERL
O=C([O-])Cc1c[n-]n(Cc2ccccc2)c1=O	ZINC000702815043	977127295	/nfs/dbraw/zinc/12/72/95/977127295.db2.gz	LDXWVTBUIPLAGG-SNVBAGLBSA-N	-2	0	232.239	1.106	10	0		BDAERL
Cc1cc(F)c([S@@](=O)[O-])cc1C(=O)[O-]	ZINC000038997471	538968325	/nfs/dbraw/zinc/96/83/25/538968325.db2.gz	FWUFVATWEUFKQI-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
CC(C)CCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000050103014	539010524	/nfs/dbraw/zinc/01/05/24/539010524.db2.gz	WCLQJPYPMZIYBB-UHFFFAOYSA-N	-2	0	210.233	1.057	10	0		BDAERL
O=C([O-])[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000034217013	343266554	/nfs/dbraw/zinc/26/65/54/343266554.db2.gz	MNQNHAXVLUCZMI-RKDXNWHRSA-N	-2	0	206.197	1.427	10	0		BDAERL
Cc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000082538878	537806585	/nfs/dbraw/zinc/80/65/85/537806585.db2.gz	SAGQMMVLQBJKSK-SNVBAGLBSA-N	-2	0	222.240	1.946	10	0		BDAERL
CC(C)=C1CCCCNC1=C(C(=O)[O-])C(=O)[O-]	ZINC000215642612	349905163	/nfs/dbraw/zinc/90/51/63/349905163.db2.gz	OLWGYYKLYYHCAI-UHFFFAOYSA-N	-2	0	239.271	1.520	10	0		BDAERL
COc1cc(C#N)c([S-])cc1CC(=O)[O-]	ZINC000396136234	344613494	/nfs/dbraw/zinc/61/34/94/344613494.db2.gz	LGKFOSVQNJEQDK-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc(CC(=O)[O-])c(C#N)cc1[S-]	ZINC000396139836	344615076	/nfs/dbraw/zinc/61/50/76/344615076.db2.gz	WAVBWIYFCKOITC-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1ccc([S-])c(C#N)c1CC(=O)[O-]	ZINC000396156480	344628096	/nfs/dbraw/zinc/62/80/96/344628096.db2.gz	DWEMHIHJIYWWAK-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c([S-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396157950	344629383	/nfs/dbraw/zinc/62/93/83/344629383.db2.gz	GEFXUBWDDIUYPR-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
COc1c([S-])ccc(CC(=O)[O-])c1C#N	ZINC000396164379	344635536	/nfs/dbraw/zinc/63/55/36/344635536.db2.gz	NSFMYPCVEWGADX-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc(O)c(Cl)cc1C(=O)[O-]	ZINC000034465594	346291021	/nfs/dbraw/zinc/29/10/21/346291021.db2.gz	APGFMLCONMMRLN-UHFFFAOYSA-N	-2	0	202.593	1.752	10	0		BDAERL
O=C([O-])[C@@H]1C[C@]1(C(=O)[O-])c1ccccc1F	ZINC000258823869	537989833	/nfs/dbraw/zinc/98/98/33/537989833.db2.gz	OVROISFCZURZRU-CPCISQLKSA-N	-2	0	224.187	1.253	10	0		BDAERL
C[C@@H]1CCC[C@@H]([C@](O)(CC(=O)[O-])C(=O)[O-])C1	ZINC000725260655	538083458	/nfs/dbraw/zinc/08/34/58/538083458.db2.gz	XIBKCNUKDRNWJC-SOCHQFKDSA-N	-2	0	230.260	1.103	10	0		BDAERL
O=C([O-])C(Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000002505299	187472384	/nfs/dbraw/zinc/47/23/84/187472384.db2.gz	WDTOUPHYRPGTNO-UHFFFAOYSA-N	-2	0	228.631	1.668	10	0		BDAERL
CCCCc1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	ZINC000137866138	188145832	/nfs/dbraw/zinc/14/58/32/188145832.db2.gz	UFVLIGITZXQUON-UHFFFAOYSA-N	-2	0	212.205	1.149	10	0		BDAERL
O=C([O-])[C@@H](O)c1c(Cl)ccc([O-])c1Cl	ZINC000306548651	360418729	/nfs/dbraw/zinc/41/87/29/360418729.db2.gz	CXHUBNHNULCRTC-ZETCQYMHSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])c1ccc(C[S@@](=O)[O-])cc1	ZINC000202568000	541502639	/nfs/dbraw/zinc/50/26/39/541502639.db2.gz	DIRHXRDOKKGEFP-UHFFFAOYSA-N	-2	0	200.215	1.107	10	0		BDAERL
Cc1[n-]n(-c2ccccc2C)c(=O)c1CC(=O)[O-]	ZINC000020593683	368373357	/nfs/dbraw/zinc/37/33/57/368373357.db2.gz	CDEDWJWYBQFEKO-UHFFFAOYSA-N	-2	0	246.266	1.410	10	0		BDAERL
O=C(NCc1ccccc1)P(=O)([O-])[O-]	ZINC000013441065	182255549	/nfs/dbraw/zinc/25/55/49/182255549.db2.gz	ZQPCSYKQYDZVKF-UHFFFAOYSA-N	-2	0	215.145	1.074	10	0		BDAERL
O=C([O-])c1c([S-])cc(O)cc1OC(F)F	ZINC000575661461	384417615	/nfs/dbraw/zinc/41/76/15/384417615.db2.gz	GPWPQYNYPITCAC-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
[NH3+][C@H](C(=O)[O-])c1cccc(O)c1Cl	ZINC000072191189	384804881	/nfs/dbraw/zinc/80/48/81/384804881.db2.gz	AKHBUEMSSQXMIN-ZETCQYMHSA-N	-2	0	201.609	1.130	10	0		BDAERL
CCOc1ccc(C(=O)[O-])c(C#N)c1O	ZINC000575647064	385132532	/nfs/dbraw/zinc/13/25/32/385132532.db2.gz	XWMXPVGWIBUNGJ-UHFFFAOYSA-N	-2	0	207.185	1.361	10	0		BDAERL
CCc1cc([S-])c(C#N)c([C@H](O)C(=O)[O-])c1	ZINC000575644804	386585868	/nfs/dbraw/zinc/58/58/68/386585868.db2.gz	JNTYDELHAPFONS-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
Cc1nc(Br)c(O)cc1C(=O)[O-]	ZINC000575436640	387116550	/nfs/dbraw/zinc/11/65/50/387116550.db2.gz	MMIDPWSNFCQYKL-UHFFFAOYSA-N	-2	0	232.033	1.556	10	0		BDAERL
CCc1ccc(F)c([S-])c1[C@@H](O)C(=O)[O-]	ZINC000575700662	387403530	/nfs/dbraw/zinc/40/35/30/387403530.db2.gz	DYIIDGUBPABFRO-MRVPVSSYSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])c([S-])cc1F	ZINC000575701631	387405128	/nfs/dbraw/zinc/40/51/28/387405128.db2.gz	RXNBXQPAPNFMAA-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc(O)c([S-])c(F)c1	ZINC000575706096	387410563	/nfs/dbraw/zinc/41/05/63/387410563.db2.gz	RNNPMXOHGTYXSK-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])c([S-])cc1C#N	ZINC000575647200	387880494	/nfs/dbraw/zinc/88/04/94/387880494.db2.gz	PSUHQXOKTXHQPH-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc(C(=O)[O-])cc(C#N)c1[S-]	ZINC000575646435	387880889	/nfs/dbraw/zinc/88/08/89/387880889.db2.gz	NJCKHBRCLYNCRV-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CC1=C(CC(=O)[O-])CC[C@@]1(C)CS(=O)(=O)[O-]	ZINC000026481080	168086835	/nfs/dbraw/zinc/08/68/35/168086835.db2.gz	XWCWIRVBNRHIHU-JTQLQIEISA-N	-2	0	248.300	1.466	10	0		BDAERL
COc1ccccc1CC(C)(C(=O)[O-])C(=O)[O-]	ZINC000057529212	175321219	/nfs/dbraw/zinc/32/12/19/175321219.db2.gz	VYSOHVCMZHGDEE-UHFFFAOYSA-N	-2	0	238.239	1.413	10	0		BDAERL
C[C@H](C(=O)[O-])[C@H]1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000100778221	571827210	/nfs/dbraw/zinc/82/72/10/571827210.db2.gz	OIFCPZGZZQQDNO-CWKFCGSDSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
CCOc1cc(N)c([S-])cc1C(=O)[O-]	ZINC000039100002	343383553	/nfs/dbraw/zinc/38/35/53/343383553.db2.gz	ZBQOEUYXJWOURX-UHFFFAOYSA-N	-2	0	213.258	1.654	10	0		BDAERL
N#Cc1cc([S-])c(CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000396134746	344612484	/nfs/dbraw/zinc/61/24/84/344612484.db2.gz	FEOZZVLOBNQKPA-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1[N+](=O)[O-]	ZINC000396140517	344615423	/nfs/dbraw/zinc/61/54/23/344615423.db2.gz	ZAQRKUDKTYUKNY-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396147146	344620494	/nfs/dbraw/zinc/62/04/94/344620494.db2.gz	DXYMHAOIODZKPX-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1cc(C(=O)[O-])cc([S-])c1[N+](=O)[O-]	ZINC000396149963	344622829	/nfs/dbraw/zinc/62/28/29/344622829.db2.gz	JBSIYEXQHZRYIM-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1ccc(C(=O)[O-])c([S-])c1[N+](=O)[O-]	ZINC000396158744	344631941	/nfs/dbraw/zinc/63/19/41/344631941.db2.gz	VTMHYGYTJHPXMA-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CCc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000675052688	537859221	/nfs/dbraw/zinc/85/92/21/537859221.db2.gz	COINPCCZMWSLHQ-SNVBAGLBSA-N	-2	0	222.240	1.892	10	0		BDAERL
O=C([O-])N1CC[C@@H](c2nnn[n-]2)c2ccccc21	ZINC000616674078	351237928	/nfs/dbraw/zinc/23/79/28/351237928.db2.gz	FAWNLBZWKDSJFK-MRVPVSSYSA-N	-2	0	245.242	1.220	10	0		BDAERL
O=C([O-])[C@@H]1CCN(C(=O)[O-])c2ccccc21	ZINC000616674826	351242333	/nfs/dbraw/zinc/24/23/33/351242333.db2.gz	INJZQJNMJXGEDQ-MRVPVSSYSA-N	-2	0	221.212	1.743	10	0		BDAERL
O=C([O-])c1cc(Cl)c(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000168232280	351348271	/nfs/dbraw/zinc/34/82/71/351348271.db2.gz	WUYHZZUZCYAJCF-UHFFFAOYSA-N	-2	0	245.574	1.645	10	0		BDAERL
Cn1c(C(=O)[O-])cc2cc(C(=O)[O-])ccc21	ZINC000163975084	351418406	/nfs/dbraw/zinc/41/84/06/351418406.db2.gz	LDYVHGLVSCDYSG-UHFFFAOYSA-N	-2	0	219.196	1.575	10	0		BDAERL
O=C([O-])[C@H](O)c1cc(Cl)cc([O-])c1Cl	ZINC000307012746	351420018	/nfs/dbraw/zinc/42/00/18/351420018.db2.gz	QGBIMCUDPQRWGS-SSDOTTSWSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])Cc1cc(F)cc([O-])c1Br	ZINC000306708197	353036299	/nfs/dbraw/zinc/03/62/99/353036299.db2.gz	SNDAHDTYMNEYMR-UHFFFAOYSA-N	-2	0	249.035	1.921	10	0		BDAERL
O=C([O-])C(C(=O)[O-])[C@H]1CCC=CCCC1	ZINC000018083337	188171984	/nfs/dbraw/zinc/17/19/84/188171984.db2.gz	YTNDGIXOZCDSOT-QMMMGPOBSA-N	-2	0	212.245	1.908	10	0		BDAERL
O=C([O-])c1nccc(OC2CC2)c1C(=O)[O-]	ZINC000095735365	188146389	/nfs/dbraw/zinc/14/63/89/188146389.db2.gz	PSURKSVESCGYLN-UHFFFAOYSA-N	-2	0	223.184	1.019	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000675055718	538476453	/nfs/dbraw/zinc/47/64/53/538476453.db2.gz	XAAYNUAIXOMPIS-SSDOTTSWSA-N	-2	0	230.166	1.608	10	0		BDAERL
O=NN(c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000584656978	358308621	/nfs/dbraw/zinc/30/86/21/358308621.db2.gz	DWMJNVSNQBTGEH-QMMMGPOBSA-N	-2	0	238.199	1.102	10	0		BDAERL
O=C([O-])C[C@](O)(CC1CCCCC1)C(=O)[O-]	ZINC000141895185	541306440	/nfs/dbraw/zinc/30/64/40/541306440.db2.gz	QSEYTXMPUFWWSV-LLVKDONJSA-N	-2	0	230.260	1.247	10	0		BDAERL
O=c1cc([O-])nc(C(Cl)(Cl)Cl)[n-]1	ZINC000118070962	541316753	/nfs/dbraw/zinc/31/67/53/541316753.db2.gz	ABGRUNQFZVWESH-UHFFFAOYSA-N	-2	0	229.450	1.715	10	0		BDAERL
O=C([O-])C[C@@](O)(CC1CCCCC1)C(=O)[O-]	ZINC000141895398	541503005	/nfs/dbraw/zinc/50/30/05/541503005.db2.gz	QSEYTXMPUFWWSV-NSHDSACASA-N	-2	0	230.260	1.247	10	0		BDAERL
CCC(CC)C(=O)[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000148466034	368351318	/nfs/dbraw/zinc/35/13/18/368351318.db2.gz	IOJSRDZOBPVJAO-SSDOTTSWSA-N	-2	0	216.233	1.167	10	0		BDAERL
Cc1ccccc1-n1[nH]cc(CC(=O)[O-])c1=O	ZINC000213941307	368397835	/nfs/dbraw/zinc/39/78/35/368397835.db2.gz	LFERXUSCDJAZES-UHFFFAOYSA-N	-2	0	232.239	1.101	10	0		BDAERL
Cc1ccc(-n2[nH]cc(CC(=O)[O-])c2=O)cc1	ZINC000213941059	368397956	/nfs/dbraw/zinc/39/79/56/368397956.db2.gz	HNBZKJYQTQENNR-UHFFFAOYSA-N	-2	0	232.239	1.101	10	0		BDAERL
O=C([O-])[C@H](O)c1ccc(Cl)c([O-])c1Cl	ZINC000307339406	372112663	/nfs/dbraw/zinc/11/26/63/372112663.db2.gz	IGRSGKLKOKQSTO-ZCFIWIBFSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])CCc1ccccc1CCC(=O)[O-]	ZINC000019046015	182455426	/nfs/dbraw/zinc/45/54/26/182455426.db2.gz	BCERVBGVOSICNO-UHFFFAOYSA-N	-2	0	222.240	1.721	10	0		BDAERL
O=C([O-])c1cc(C(=O)[O-])c2cccc(F)c2n1	ZINC000026383324	182553850	/nfs/dbraw/zinc/55/38/50/182553850.db2.gz	PADOPEMYRMEZCV-UHFFFAOYSA-N	-2	0	235.170	1.770	10	0		BDAERL
O=C([O-])c1cc2ccc(F)cc2nc1C(=O)[O-]	ZINC000032099634	182560050	/nfs/dbraw/zinc/56/00/50/182560050.db2.gz	MJAMQXJWFMDOQB-UHFFFAOYSA-N	-2	0	235.170	1.770	10	0		BDAERL
CCC(CC)[C@](CC)(C(=O)[O-])[P@@](=O)([O-])O	ZINC000071615001	384173809	/nfs/dbraw/zinc/17/38/09/384173809.db2.gz	LPGCGEZXBRUIIE-SECBINFHSA-N	-2	0	238.220	1.834	10	0		BDAERL
CC(C)(C(C(=O)[O-])C(=O)[O-])C(F)(F)F	ZINC000146540005	384797713	/nfs/dbraw/zinc/79/77/13/384797713.db2.gz	UJYVYYSQHNASND-UHFFFAOYSA-N	-2	0	214.139	1.360	10	0		BDAERL
O=C([O-])c1cc(OC(F)F)cc(O)c1F	ZINC000575660220	387054214	/nfs/dbraw/zinc/05/42/14/387054214.db2.gz	VXGVCCNXNOZZPH-UHFFFAOYSA-N	-2	0	222.118	1.831	10	0		BDAERL
O=Cc1cc(OC(F)F)c(O)cc1C(=O)[O-]	ZINC000575661868	387105446	/nfs/dbraw/zinc/10/54/46/387105446.db2.gz	SPQGXRBPXVHKEJ-UHFFFAOYSA-N	-2	0	232.138	1.504	10	0		BDAERL
O=C([O-])c1cc([S-])c(OC(F)F)cc1O	ZINC000575662384	387162911	/nfs/dbraw/zinc/16/29/11/387162911.db2.gz	YRQDKZGIHQPFCK-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])Cc1c([S-])ccc(F)c1CO	ZINC000575705443	387408393	/nfs/dbraw/zinc/40/83/93/387408393.db2.gz	IWYNOKQEDDZQNM-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])Cc1cc(CO)c(F)cc1[S-]	ZINC000575706411	387410559	/nfs/dbraw/zinc/41/05/59/387410559.db2.gz	VHNGLJYPSDFZHS-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCOc1cc([S-])cc(C#N)c1C(=O)[O-]	ZINC000575643895	387870906	/nfs/dbraw/zinc/87/09/06/387870906.db2.gz	DNNVRYWYWOUKSL-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CC(Cc1ccccc1F)(C(=O)[O-])C(=O)[O-]	ZINC000057517253	388361946	/nfs/dbraw/zinc/36/19/46/388361946.db2.gz	KRJMYDSMVSEMCT-UHFFFAOYSA-N	-2	0	226.203	1.544	10	0		BDAERL
C[C@H](Sc1cc(C(=O)[O-])ccn1)C(=O)[O-]	ZINC000054917823	177029163	/nfs/dbraw/zinc/02/91/63/177029163.db2.gz	OYNOEVDHRLGDRE-YFKPBYRVSA-N	-2	0	227.241	1.345	10	0		BDAERL
COc1cc(C(=O)[O-])cc2[n-]c(=S)oc21	ZINC000757128491	582503591	/nfs/dbraw/zinc/50/35/91/582503591.db2.gz	QKUCPBJBOHODMY-UHFFFAOYSA-N	-2	0	225.225	1.823	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1cccc(F)c1F	ZINC000675055005	636576257	/nfs/dbraw/zinc/57/62/57/636576257.db2.gz	PLKKTKPITXFMET-ZCFIWIBFSA-N	-2	0	230.166	1.608	10	0		BDAERL
O=Cc1cc(C(=O)[O-])cc(Br)c1[O-]	ZINC000950757286	712726405	/nfs/dbraw/zinc/72/64/05/712726405.db2.gz	PNSZBDCRUVMPKG-UHFFFAOYSA-N	-2	0	245.028	1.665	10	0		BDAERL
CCN=c1[n-]nc(S[C@H](CC)C(=O)[O-])s1	ZINC000380095377	971675263	/nfs/dbraw/zinc/67/52/63/971675263.db2.gz	KDHPZYXMNQPQHW-RXMQYKEDSA-N	-2	0	247.345	1.347	10	0		BDAERL
C[C@@H](n1[n-]cc(CC(=O)[O-])c1=O)C(C)(C)C	ZINC000702796091	977125594	/nfs/dbraw/zinc/12/55/94/977125594.db2.gz	KNDZGSLHQOEBQC-SFYZADRCSA-N	-2	0	226.276	1.340	10	0		BDAERL
O=C([O-])Cc1c[n-]n(C2CCCCCC2)c1=O	ZINC000702817300	977127479	/nfs/dbraw/zinc/12/74/79/977127479.db2.gz	TWSRRTYGWQDWQW-SECBINFHSA-N	-2	0	238.287	1.628	10	0		BDAERL
Cc1cc2cc(C(=O)[O-])[nH]c2cc1C(=O)[O-]	ZINC000071340609	178294577	/nfs/dbraw/zinc/29/45/77/178294577.db2.gz	GOSGZFZHXDPYTJ-UHFFFAOYSA-N	-2	0	219.196	1.873	10	0		BDAERL
Cc1ccc(C(=O)[O-])c(SCC(=O)[O-])n1	ZINC000196612631	178441969	/nfs/dbraw/zinc/44/19/69/178441969.db2.gz	JTLGHWLRWCVZGN-UHFFFAOYSA-N	-2	0	227.241	1.265	10	0		BDAERL
C[C@]1(c2nc(C(=O)[O-])cc(=O)[nH]2)CCCS1	ZINC000382027100	539008221	/nfs/dbraw/zinc/00/82/21/539008221.db2.gz	SJKJLFVCUSZZJG-SNVBAGLBSA-N	-2	0	240.284	1.623	10	0		BDAERL
C[C@@]1(c2nc(C(=O)[O-])cc(=O)[nH]2)CCCS1	ZINC000382027097	539008350	/nfs/dbraw/zinc/00/83/50/539008350.db2.gz	SJKJLFVCUSZZJG-JTQLQIEISA-N	-2	0	240.284	1.623	10	0		BDAERL
Cc1ccc(C)c([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000057952152	539013602	/nfs/dbraw/zinc/01/36/02/539013602.db2.gz	MYJDFYUMHGMXHX-JTQLQIEISA-N	-2	0	222.240	1.946	10	0		BDAERL
N#Cc1c([S-])c(CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000396134748	344612852	/nfs/dbraw/zinc/61/28/52/344612852.db2.gz	FEZQBZSOXSOYLU-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396136671	344613510	/nfs/dbraw/zinc/61/35/10/344613510.db2.gz	LWMKXVVFEMJOMY-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1ccc(C=O)c([S-])c1CC(=O)[O-]	ZINC000396137485	344614207	/nfs/dbraw/zinc/61/42/07/344614207.db2.gz	OVZMAPKEKUIRLV-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1c([S-])c([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000396155202	344626968	/nfs/dbraw/zinc/62/69/68/344626968.db2.gz	PYOPZZXVMPXHON-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1c([S-])c(C=O)ccc1CC(=O)[O-]	ZINC000396161436	344633770	/nfs/dbraw/zinc/63/37/70/344633770.db2.gz	NVUJGGMLXZIQKP-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
COC(=O)c1[n-]nc2sc(C(=O)[O-])cc21	ZINC000685950583	538893839	/nfs/dbraw/zinc/89/38/39/538893839.db2.gz	UTCMCWUXJNUKAP-UHFFFAOYSA-N	-2	0	226.213	1.109	10	0		BDAERL
COc1cc(C(=O)[O-])c(C)c(C(=O)[O-])c1	ZINC000238358658	360931815	/nfs/dbraw/zinc/93/18/15/360931815.db2.gz	LAPBTRNTNOINKZ-UHFFFAOYSA-N	-2	0	210.185	1.400	10	0		BDAERL
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000000136591	384265785	/nfs/dbraw/zinc/26/57/85/384265785.db2.gz	PXKSVNOELLJRND-OJOKCITNSA-N	-2	0	212.245	1.598	10	0		BDAERL
O=C([O-])Cc1c(F)cc([S-])cc1CO	ZINC000575704682	384788142	/nfs/dbraw/zinc/78/81/42/384788142.db2.gz	BHVZAFMXSNUNRU-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])CCc1cc(C(=O)[O-])nc2ccccc12	ZINC000013454930	384844742	/nfs/dbraw/zinc/84/47/42/384844742.db2.gz	JFSBHXRYWNSQDH-UHFFFAOYSA-N	-2	0	245.234	1.950	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])c([S-])cc1C#N	ZINC000575647198	385240723	/nfs/dbraw/zinc/24/07/23/385240723.db2.gz	PSUHQXOKTXHQPH-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])c1c(O)cc(OC(F)F)cc1[S-]	ZINC000575661513	387111793	/nfs/dbraw/zinc/11/17/93/387111793.db2.gz	HOWDZNNGZWRKDO-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])Cc1c(F)c([S-])ccc1CO	ZINC000575705870	387410920	/nfs/dbraw/zinc/41/09/20/387410920.db2.gz	PROOBXGTBCEHPZ-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
O=C([O-])Cc1ccc([S-])c(F)c1CO	ZINC000575705998	387411217	/nfs/dbraw/zinc/41/12/17/387411217.db2.gz	PWFUPJHWTSLZHN-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCc1c(C#N)cc([S-])cc1[C@H](O)C(=O)[O-]	ZINC000575648636	387885865	/nfs/dbraw/zinc/88/58/65/387885865.db2.gz	WFOBDQOPKUMMOW-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
Cc1cc(C)c(C(=O)[O-])c(O)c1C(=O)[O-]	ZINC000083289589	177849907	/nfs/dbraw/zinc/84/99/07/177849907.db2.gz	GXYBNDFTSMDZLO-UHFFFAOYSA-N	-2	0	210.185	1.405	10	0		BDAERL
CC(C)c1ccc(-n2nc(C(=O)[O-])[n-]c2=O)cc1	ZINC000020272462	167582827	/nfs/dbraw/zinc/58/28/27/167582827.db2.gz	PBPOJCBSWTZGNQ-UHFFFAOYSA-N	-2	0	247.254	1.795	10	0		BDAERL
CCOc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000041279741	170584583	/nfs/dbraw/zinc/58/45/83/170584583.db2.gz	VNWBCULMPODASB-SNVBAGLBSA-N	-2	0	238.239	1.728	10	0		BDAERL
C[C@H](Sc1ncccc1C(=O)[O-])C(=O)[O-]	ZINC000048176333	177030278	/nfs/dbraw/zinc/03/02/78/177030278.db2.gz	KSLJLWDDZFXSOC-YFKPBYRVSA-N	-2	0	227.241	1.345	10	0		BDAERL
C[C@@H]1C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000004321966	177354887	/nfs/dbraw/zinc/35/48/87/177354887.db2.gz	NSVFQYRNBOFQMT-KVFPUHGPSA-N	-2	0	200.234	1.454	10	0		BDAERL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(F)c(F)c1	ZINC000082541935	566409630	/nfs/dbraw/zinc/40/96/30/566409630.db2.gz	PGFPPQGYTVMEAS-LURJTMIESA-N	-2	0	230.166	1.608	10	0		BDAERL
CCCCCC[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725259654	582802583	/nfs/dbraw/zinc/80/25/83/582802583.db2.gz	FRMCXIDOMSABGB-JTQLQIEISA-N	-2	0	218.249	1.247	10	0		BDAERL
Cc1ccc(Cn2[n-]cc(CC(=O)[O-])c2=O)cc1	ZINC000702823641	977127161	/nfs/dbraw/zinc/12/71/61/977127161.db2.gz	SOLMJEFVTLWEHW-LLVKDONJSA-N	-2	0	246.266	1.414	10	0		BDAERL
O=C([O-])Cc1c[n-]n(C2CCCCC2)c1=O	ZINC000702815045	977127206	/nfs/dbraw/zinc/12/72/06/977127206.db2.gz	LPCCUEJBTRZMEZ-QMMMGPOBSA-N	-2	0	224.260	1.238	10	0		BDAERL
O=C([O-])Cc1c[n-]n(C2CCCCCC2)c1=O	ZINC000702817305	977127430	/nfs/dbraw/zinc/12/74/30/977127430.db2.gz	TWSRRTYGWQDWQW-VIFPVBQESA-N	-2	0	238.287	1.628	10	0		BDAERL
Cc1cc(O)c(CC(=O)[O-])cc1Cl	ZINC000071454576	178194965	/nfs/dbraw/zinc/19/49/65/178194965.db2.gz	OPGRQAXHBOFQQN-UHFFFAOYSA-N	-2	0	200.621	1.981	10	0		BDAERL
O=C([O-])CCn1c(=O)cc([O-])c2ccccc21	ZINC000200283531	343277581	/nfs/dbraw/zinc/27/75/81/343277581.db2.gz	RYLHOQAHXGVNFY-UHFFFAOYSA-N	-2	0	233.223	1.182	10	0		BDAERL
CCCCOc1cc(C(=O)[O-])nc(C(=O)[O-])c1	ZINC000035653847	343301221	/nfs/dbraw/zinc/30/12/21/343301221.db2.gz	KUUDOGYXZGMCRZ-UHFFFAOYSA-N	-2	0	239.227	1.657	10	0		BDAERL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])ccn2)nc1	ZINC000202782705	343465816	/nfs/dbraw/zinc/46/58/16/343465816.db2.gz	HYDLFVISOOYNGJ-UHFFFAOYSA-N	-2	0	244.206	1.540	10	0		BDAERL
O=C([O-])Cn1[n-]c(-c2ccsc2)cc1=O	ZINC000409439355	343846813	/nfs/dbraw/zinc/84/68/13/343846813.db2.gz	OYWSSIARCSVRIA-UHFFFAOYSA-N	-2	0	224.241	1.402	10	0		BDAERL
Cc1cc([N+](=O)[O-])c(C(=O)[O-])c(F)c1[O-]	ZINC000216185689	344140379	/nfs/dbraw/zinc/14/03/79/344140379.db2.gz	WMUFBXSHPHQRCT-UHFFFAOYSA-N	-2	0	215.136	1.446	10	0		BDAERL
COc1cc(C#N)cc(CC(=O)[O-])c1[S-]	ZINC000396135470	344613016	/nfs/dbraw/zinc/61/30/16/344613016.db2.gz	ILYQZHSXDFGSBT-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1ccc(CC(=O)[O-])c([S-])c1C#N	ZINC000396135181	344613129	/nfs/dbraw/zinc/61/31/29/344613129.db2.gz	HKQVKDQYAQEXJS-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc([S-])cc([N+](=O)[O-])c1CC(=O)[O-]	ZINC000396136216	344613516	/nfs/dbraw/zinc/61/35/16/344613516.db2.gz	LAUTVHVJVBIZHR-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000396137773	344614153	/nfs/dbraw/zinc/61/41/53/344614153.db2.gz	PUMCRHZPZKFXQG-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(C(F)(F)F)c([O-])cc1C(=O)[O-]	ZINC000396150128	344623300	/nfs/dbraw/zinc/62/33/00/344623300.db2.gz	AKWJUEPCBDZPSY-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
N#Cc1c(C=O)cc([S-])cc1CC(=O)[O-]	ZINC000396156048	344627720	/nfs/dbraw/zinc/62/77/20/344627720.db2.gz	HYEUMWYTBVQAGR-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1c([O-])c(C(F)(F)F)ccc1C(=O)[O-]	ZINC000396160543	344633430	/nfs/dbraw/zinc/63/34/30/344633430.db2.gz	NCWVWFKPYHRECY-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
CCc1cccc([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000675052686	537859744	/nfs/dbraw/zinc/85/97/44/537859744.db2.gz	COINPCCZMWSLHQ-JTQLQIEISA-N	-2	0	222.240	1.892	10	0		BDAERL
CC1(C)C[C@@](C)(CC(=O)[O-])[C@H]1C(=O)[O-]	ZINC000238243351	344999257	/nfs/dbraw/zinc/99/92/57/344999257.db2.gz	WJWNPTTZQTWACF-OIBJUYFYSA-N	-2	0	200.234	1.598	10	0		BDAERL
CC[C@H](C(=O)[O-])[C@](CC)(C(C)=O)C(=O)[O-]	ZINC000148467302	346149081	/nfs/dbraw/zinc/14/90/81/346149081.db2.gz	GZRBFPCMWOPYMQ-XCBNKYQSSA-N	-2	0	216.233	1.167	10	0		BDAERL
Cc1cccc(/C=C(\CC(=O)[O-])C(=O)[O-])c1	ZINC000057939662	179002325	/nfs/dbraw/zinc/00/23/25/179002325.db2.gz	HYZJAMWYIYUNTC-UXBLZVDNSA-N	-2	0	220.224	1.938	10	0		BDAERL
O=C([O-])c1cccc2c1[C@@H](C(=O)[O-])CCC2	ZINC000034246885	346233653	/nfs/dbraw/zinc/23/36/53/346233653.db2.gz	SPHOFVYFEMTGKK-VIFPVBQESA-N	-2	0	220.224	1.889	10	0		BDAERL
C#CC[C@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000196030007	347769012	/nfs/dbraw/zinc/76/90/12/347769012.db2.gz	YGRHPQBMYXSWPB-SNVBAGLBSA-N	-2	0	232.235	1.579	10	0		BDAERL
O=C([O-])N1C[C@@H](c2nnn[n-]2)Cc2ccccc21	ZINC000616671463	351234249	/nfs/dbraw/zinc/23/42/49/351234249.db2.gz	NBPWAVLXGXWHMB-QMMMGPOBSA-N	-2	0	245.242	1.024	10	0		BDAERL
O=C([O-])[C@H]1CCN(C(=O)[O-])c2ccccc21	ZINC000616674555	351239799	/nfs/dbraw/zinc/23/97/99/351239799.db2.gz	INJZQJNMJXGEDQ-QMMMGPOBSA-N	-2	0	221.212	1.743	10	0		BDAERL
O=C([O-])[C@H](O)c1cc([O-])c(Cl)cc1Cl	ZINC000306915167	351328763	/nfs/dbraw/zinc/32/87/63/351328763.db2.gz	UDWNEBBAFARZIP-SSDOTTSWSA-N	-2	0	237.038	1.817	10	0		BDAERL
C=CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000037583145	188113801	/nfs/dbraw/zinc/11/38/01/188113801.db2.gz	SCBDZPZGJABXBH-UHFFFAOYSA-N	-2	0	235.195	1.208	10	0		BDAERL
Cc1ccc(F)c([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000675055827	538476317	/nfs/dbraw/zinc/47/63/17/538476317.db2.gz	ZCBTUBPRWCFAOE-QMMMGPOBSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])CNc1cc(F)ccc1C(=O)[O-]	ZINC000141630254	359610904	/nfs/dbraw/zinc/61/09/04/359610904.db2.gz	RISBHISSOSXLDM-UHFFFAOYSA-N	-2	0	213.164	1.020	10	0		BDAERL
O=C([O-])c1cccc(C[P@](=O)([O-])O)c1	ZINC000114836785	368954883	/nfs/dbraw/zinc/95/48/83/368954883.db2.gz	QIDFDDOEXSPDGN-UHFFFAOYSA-N	-2	0	216.129	1.063	10	0		BDAERL
O=C([O-])c1ccc(-c2ccncc2C(=O)[O-])nc1	ZINC000098180945	182562747	/nfs/dbraw/zinc/56/27/47/182562747.db2.gz	OEONEEUUXCDPQC-UHFFFAOYSA-N	-2	0	244.206	1.540	10	0		BDAERL
O=C([O-])c1cc(F)c(O)c(OC(F)F)c1	ZINC000575660218	384408841	/nfs/dbraw/zinc/40/88/41/384408841.db2.gz	VVQYXIRYRKQVRF-UHFFFAOYSA-N	-2	0	222.118	1.831	10	0		BDAERL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ncco2)c1	ZINC000095935665	384414627	/nfs/dbraw/zinc/41/46/27/384414627.db2.gz	IYJVKZHQJONIIG-UHFFFAOYSA-N	-2	0	233.179	1.738	10	0		BDAERL
O=C([O-])CCOc1ccccc1C(=O)[O-]	ZINC000026506171	384993052	/nfs/dbraw/zinc/99/30/52/384993052.db2.gz	XCMXXCOPWNCEHP-UHFFFAOYSA-N	-2	0	210.185	1.238	10	0		BDAERL
O=C([O-])Cc1cc(O)c(F)cc1OC(F)F	ZINC000575660285	387053964	/nfs/dbraw/zinc/05/39/64/387053964.db2.gz	XEFGKTXHVUIQLD-UHFFFAOYSA-N	-2	0	236.145	1.760	10	0		BDAERL
O=C([O-])c1cc([S-])c(O)cc1OC(F)F	ZINC000575661506	387110320	/nfs/dbraw/zinc/11/03/20/387110320.db2.gz	HNJSLMHKWLEQIC-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1cc([S-])c(F)cc1[C@@H](O)C(=O)[O-]	ZINC000575700249	387403546	/nfs/dbraw/zinc/40/35/46/387403546.db2.gz	AARNZPWTXAUPDT-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1c(F)c([S-])ccc1[C@H](O)C(=O)[O-]	ZINC000575701144	387405614	/nfs/dbraw/zinc/40/56/14/387405614.db2.gz	JKXLVYNTGUUCAM-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc(O)c(F)cc1[S-]	ZINC000575704946	387408979	/nfs/dbraw/zinc/40/89/79/387408979.db2.gz	DFXQWGDUTMGBNT-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])Cc1c(O)cc(F)cc1[S-]	ZINC000575704875	387408995	/nfs/dbraw/zinc/40/89/95/387408995.db2.gz	COUSZAJNGFQLHZ-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCOc1cc(C#N)c(CC(=O)[O-])cc1[S-]	ZINC000575645915	387876526	/nfs/dbraw/zinc/87/65/26/387876526.db2.gz	KWMGKGNRMLAJMW-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)[O-]	ZINC000048176334	176010716	/nfs/dbraw/zinc/01/07/16/176010716.db2.gz	KSLJLWDDZFXSOC-RXMQYKEDSA-N	-2	0	227.241	1.345	10	0		BDAERL
C[C@H](Oc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000035882194	177023125	/nfs/dbraw/zinc/02/31/25/177023125.db2.gz	IYWAOPSJSWCAJB-LURJTMIESA-N	-2	0	210.185	1.237	10	0		BDAERL
C=C[C@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000145472229	342761608	/nfs/dbraw/zinc/76/16/08/342761608.db2.gz	URMLQNLBZSZPAE-SECBINFHSA-N	-2	0	220.224	1.742	10	0		BDAERL
O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])c1cccc(F)c1	ZINC000039273964	538969531	/nfs/dbraw/zinc/96/95/31/538969531.db2.gz	LNKDLKVTSWDMQY-LDYMZIIASA-N	-2	0	224.187	1.253	10	0		BDAERL
O=C([O-])[C@@H]1C[C@]1(C(=O)[O-])c1cccc(F)c1	ZINC000039273967	538969537	/nfs/dbraw/zinc/96/95/37/538969537.db2.gz	LNKDLKVTSWDMQY-KWQFWETISA-N	-2	0	224.187	1.253	10	0		BDAERL
O=C([O-])[C@H]1C[C@]1(C(=O)[O-])c1cccc(F)c1	ZINC000039273965	538969729	/nfs/dbraw/zinc/96/97/29/538969729.db2.gz	LNKDLKVTSWDMQY-KCJUWKMLSA-N	-2	0	224.187	1.253	10	0		BDAERL
Cc1ccccc1[C@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000196206201	539011486	/nfs/dbraw/zinc/01/14/86/539011486.db2.gz	XERCELLXXQEWDV-BXKDBHETSA-N	-2	0	220.224	1.422	10	0		BDAERL
O=C([O-])[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000034217011	343266431	/nfs/dbraw/zinc/26/64/31/343266431.db2.gz	MNQNHAXVLUCZMI-DTORHVGOSA-N	-2	0	206.197	1.427	10	0		BDAERL
Cc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000082538880	537805172	/nfs/dbraw/zinc/80/51/72/537805172.db2.gz	SAGQMMVLQBJKSK-JTQLQIEISA-N	-2	0	222.240	1.946	10	0		BDAERL
Cc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000082538885	537805916	/nfs/dbraw/zinc/80/59/16/537805916.db2.gz	FXBAKCUXKQSNSN-SNVBAGLBSA-N	-2	0	222.240	1.946	10	0		BDAERL
N#Cc1ccc([O-])c(C(F)(F)F)c1C(=O)[O-]	ZINC000396158810	344632054	/nfs/dbraw/zinc/63/20/54/344632054.db2.gz	WABYPJGAPQAJKA-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
O=C([O-])CCc1ccc(OCC(=O)[O-])cc1	ZINC000146712263	345984597	/nfs/dbraw/zinc/98/45/97/345984597.db2.gz	AKIGVZYXCBBOEW-UHFFFAOYSA-N	-2	0	224.212	1.167	10	0		BDAERL
CCCC[C@H](C)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260661	538083388	/nfs/dbraw/zinc/08/33/88/538083388.db2.gz	XILHJABFXBPVMV-XVKPBYJWSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])[C@@H]1C[C@]1(C(=O)[O-])c1ccc(F)cc1	ZINC000258719722	538797087	/nfs/dbraw/zinc/79/70/87/538797087.db2.gz	IFOKEJNJQTYCEI-KWQFWETISA-N	-2	0	224.187	1.253	10	0		BDAERL
CN(C)c1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000114299409	368932772	/nfs/dbraw/zinc/93/27/72/368932772.db2.gz	LAPBGYCFKYEWQX-UHFFFAOYSA-N	-2	0	209.201	1.149	10	0		BDAERL
O=C([O-])c1cnc(-c2ccccc2[O-])nc1	ZINC000140010687	372353699	/nfs/dbraw/zinc/35/36/99/372353699.db2.gz	RITVRGXDWJEEDO-UHFFFAOYSA-N	-2	0	216.196	1.547	10	0		BDAERL
CCOc1cc(C#N)c(C(=O)[O-])cc1[S-]	ZINC000575649480	383972004	/nfs/dbraw/zinc/97/20/04/383972004.db2.gz	ZBLGTKALHHNFBM-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
C[C@H]1[C@H](C(=O)[O-])C[C@H](C(=O)[O-])C1(C)C	ZINC000003995847	384036537	/nfs/dbraw/zinc/03/65/37/384036537.db2.gz	VWSICSGXUBUSMN-RRKCRQDMSA-N	-2	0	200.234	1.454	10	0		BDAERL
O=C([O-])c1cc(O)c2c(O)cc(C(=O)[O-])cc2c1	ZINC000090686049	384068284	/nfs/dbraw/zinc/06/82/84/384068284.db2.gz	WAJQSFFBBJKSBB-UHFFFAOYSA-N	-3	0	248.190	1.647	10	0		BDAERL
CCc1cc([S-])c([C@@H](O)C(=O)[O-])c(C#N)c1	ZINC000575646571	384563169	/nfs/dbraw/zinc/56/31/69/384563169.db2.gz	OSIMLKKYXMPMDA-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])Cc1cc(C(=O)[O-])cc(Cl)c1O	ZINC000575602401	385263208	/nfs/dbraw/zinc/26/32/08/385263208.db2.gz	OBYNBRJWWWMWQS-UHFFFAOYSA-N	-2	0	230.603	1.371	10	0		BDAERL
O=Cc1cc(Cl)c([O-])c(CC(=O)[O-])c1	ZINC000575601421	387359423	/nfs/dbraw/zinc/35/94/23/387359423.db2.gz	ADDJOJHSCFAVPJ-UHFFFAOYSA-N	-2	0	214.604	1.485	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])cc([S-])c1F	ZINC000575701476	387405542	/nfs/dbraw/zinc/40/55/42/387405542.db2.gz	PWVGYHOCNFUVIV-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])cc(C#N)c1[S-]	ZINC000575647238	387880712	/nfs/dbraw/zinc/88/07/12/387880712.db2.gz	QMSRAEPPNXIVDR-SECBINFHSA-N	-2	0	237.280	1.527	10	0		BDAERL
Cc1[n-]n(C(C)C)c(=O)c1CCC(=O)[O-]	ZINC000041046359	168134695	/nfs/dbraw/zinc/13/46/95/168134695.db2.gz	ONWLQOWTOXCSLB-MRVPVSSYSA-N	-2	0	212.249	1.094	10	0		BDAERL
CCNc1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000033494553	170173617	/nfs/dbraw/zinc/17/36/17/170173617.db2.gz	VSBACVLPPUOFSL-UHFFFAOYSA-N	-2	0	209.201	1.515	10	0		BDAERL
C[C@@H]1CCC(C(=O)[O-])(C(=O)[O-])C[C@H]1C	ZINC000075601543	176061340	/nfs/dbraw/zinc/06/13/40/176061340.db2.gz	QFKSUEKEZXQGGY-RNFRBKRXSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])c1nc2ccc(C(=O)[O-])cc2s1	ZINC000075852058	398228674	/nfs/dbraw/zinc/22/86/74/398228674.db2.gz	XUCKXMYEMAOJIZ-UHFFFAOYSA-N	-2	0	223.209	1.693	10	0		BDAERL
Cc1ccc(/C=C(\CC(=O)[O-])C(=O)[O-])cc1	ZINC000057939663	178351860	/nfs/dbraw/zinc/35/18/60/178351860.db2.gz	NSEUWOIYENDQGS-UXBLZVDNSA-N	-2	0	220.224	1.938	10	0		BDAERL
Cc1cc(C(=O)[O-])c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000147013555	342773320	/nfs/dbraw/zinc/77/33/20/342773320.db2.gz	BJPJKBJLPHGODJ-UHFFFAOYSA-N	-2	0	225.156	1.300	10	0		BDAERL
N#Cc1ccc([N+](=O)[O-])c([S-])c1CC(=O)[O-]	ZINC000396137800	344613915	/nfs/dbraw/zinc/61/39/15/344613915.db2.gz	PZFJSLBISLGCRI-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])cc(CC(=O)[O-])c1C=O	ZINC000396139824	344614979	/nfs/dbraw/zinc/61/49/79/344614979.db2.gz	VWBZGJBEXXEDQI-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
COc1ccc(C#N)c([S-])c1CC(=O)[O-]	ZINC000396140274	344615534	/nfs/dbraw/zinc/61/55/34/344615534.db2.gz	YEEXFFAGGMNOKL-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
CCC(C(=O)[O-])(C(=O)[O-])c1cccc(F)c1	ZINC000675052600	537964138	/nfs/dbraw/zinc/96/41/38/537964138.db2.gz	GSDTYCAWYVUZAW-UHFFFAOYSA-N	-2	0	226.203	1.643	10	0		BDAERL
Cc1cccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-])c1	ZINC000005007687	179104813	/nfs/dbraw/zinc/10/48/13/179104813.db2.gz	INWOKZOLKGYIQG-KOLCDFICSA-N	-2	0	236.267	1.959	10	0		BDAERL
O=C([O-])c1ccc2[nH]c(C(=O)[O-])cc(=O)c2c1	ZINC000013603645	362790622	/nfs/dbraw/zinc/79/06/22/362790622.db2.gz	JRDHFVSPYRKGDJ-UHFFFAOYSA-N	-2	0	233.179	1.337	10	0		BDAERL
O=C([O-])c1cccc([C@H]2CCN(C(=O)[O-])C2)c1	ZINC000616609896	350807882	/nfs/dbraw/zinc/80/78/82/350807882.db2.gz	KGWHWMLZZNYBTE-JTQLQIEISA-N	-2	0	235.239	1.852	10	0		BDAERL
O=C([O-])c1ccc([C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000616610246	350808448	/nfs/dbraw/zinc/80/84/48/350808448.db2.gz	LVCNZOLXRPKIEI-JTQLQIEISA-N	-2	0	235.239	1.852	10	0		BDAERL
O=C([O-])N1C[C@H](c2nnn[n-]2)Cc2ccccc21	ZINC000616670297	351232862	/nfs/dbraw/zinc/23/28/62/351232862.db2.gz	NBPWAVLXGXWHMB-MRVPVSSYSA-N	-2	0	245.242	1.024	10	0		BDAERL
O=C([O-])c1cc(F)cc([O-])c1Br	ZINC000306870256	351259384	/nfs/dbraw/zinc/25/93/84/351259384.db2.gz	SVUBWBNLGSCMJT-UHFFFAOYSA-N	-2	0	235.008	1.992	10	0		BDAERL
O=C([O-])Cc1ccc(O)c(F)c1Br	ZINC000307270270	351818230	/nfs/dbraw/zinc/81/82/30/351818230.db2.gz	PECARTNIXCWYIB-UHFFFAOYSA-N	-2	0	249.035	1.921	10	0		BDAERL
CC1(C)C[C@](C)(CC(=O)[O-])[C@H]1C(=O)[O-]	ZINC000238252439	360761581	/nfs/dbraw/zinc/76/15/81/360761581.db2.gz	WJWNPTTZQTWACF-XVKPBYJWSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])CCNc1cc(Cl)ccc1C(=O)[O-]	ZINC000037625971	182448632	/nfs/dbraw/zinc/44/86/32/182448632.db2.gz	JTYCNEWAIOMWPN-UHFFFAOYSA-N	-2	0	243.646	1.925	10	0		BDAERL
CCCCn1ccc(C(=O)[O-])c1C(=O)[O-]	ZINC000005713759	169037270	/nfs/dbraw/zinc/03/72/70/169037270.db2.gz	MOXXFOZADXSLNY-UHFFFAOYSA-N	-2	0	211.217	1.685	10	0		BDAERL
O=C([O-])c1cc(F)cc(O)c1OC(F)F	ZINC000575660300	384409573	/nfs/dbraw/zinc/40/95/73/384409573.db2.gz	XMDSOXJTNGOONT-UHFFFAOYSA-N	-2	0	222.118	1.831	10	0		BDAERL
O=C([O-])/C=C/c1ccc(/C=C\C(=O)[O-])s1	ZINC000100021390	384608679	/nfs/dbraw/zinc/60/86/79/384608679.db2.gz	FHZOVGZTZSYHJD-CIIODKQPSA-N	-2	0	224.237	1.944	10	0		BDAERL
O=C([O-])CCOc1ccc(C(=O)[O-])cc1	ZINC000005768374	385691500	/nfs/dbraw/zinc/69/15/00/385691500.db2.gz	GSIWQGAOMQHQJY-UHFFFAOYSA-N	-2	0	210.185	1.238	10	0		BDAERL
CC[C@@H](C)c1c(C(=O)[O-])n[nH]c1C(=O)[O-]	ZINC000575409795	387014418	/nfs/dbraw/zinc/01/44/18/387014418.db2.gz	NOSUCAVWFLWGKQ-SCSAIBSYSA-N	-2	0	212.205	1.320	10	0		BDAERL
CCc1cc(F)c([S-])c([C@@H](O)C(=O)[O-])c1	ZINC000575700542	387403470	/nfs/dbraw/zinc/40/34/70/387403470.db2.gz	DAMDKOQXVIWXBP-MRVPVSSYSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1cc(F)c([C@@H](O)C(=O)[O-])cc1[S-]	ZINC000575701954	387406857	/nfs/dbraw/zinc/40/68/57/387406857.db2.gz	YHCDBGWZXGZBRT-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc(F)cc([S-])c1O	ZINC000575706032	387410742	/nfs/dbraw/zinc/41/07/42/387410742.db2.gz	QHDSSIKNGQDZDR-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])/C=C(\CC(=O)[O-])c1ccccc1	ZINC000039399984	387495535	/nfs/dbraw/zinc/49/55/35/387495535.db2.gz	KXAWMEBDXIRNPM-RMKNXTFCSA-N	-2	0	206.197	1.629	10	0		BDAERL
CCc1c([S-])cc([C@@H](O)C(=O)[O-])cc1C#N	ZINC000575643870	387869220	/nfs/dbraw/zinc/86/92/20/387869220.db2.gz	CWAJEUVTVZEFPQ-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])c([C@@H](O)C(=O)[O-])cc1C#N	ZINC000575648787	387885520	/nfs/dbraw/zinc/88/55/20/387885520.db2.gz	YCMXQBFALNOPBF-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])CC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000001706618	388587348	/nfs/dbraw/zinc/58/73/48/388587348.db2.gz	GUUZXORJVABSSF-JTQLQIEISA-N	-2	0	222.240	1.795	10	0		BDAERL
O=Cc1c(OC(F)F)cc([O-])cc1C(=O)[O-]	ZINC000575661483	398054822	/nfs/dbraw/zinc/05/48/22/398054822.db2.gz	LDXOUWVWMSWMTH-UHFFFAOYSA-N	-2	0	232.138	1.504	10	0		BDAERL
CS[C@@H](C(=O)[O-])c1c(C)o[n-]c1=O	ZINC000013738679	175533839	/nfs/dbraw/zinc/53/38/39/175533839.db2.gz	OMDOWPMHJUMXSR-RXMQYKEDSA-N	-2	0	203.219	1.177	10	0		BDAERL
C[C@H](C(=O)[O-])[C@H]1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000238742506	571853727	/nfs/dbraw/zinc/85/37/27/571853727.db2.gz	OIFCPZGZZQQDNO-ULAWRXDQSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
C[C@@H](C(=O)[O-])[C@H]1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000014613382	574413564	/nfs/dbraw/zinc/41/35/64/574413564.db2.gz	OIFCPZGZZQQDNO-WCTZXXKLSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
O=C([O-])/C=C\c1ccccc1OCC(=O)[O-]	ZINC000096483982	644816905	/nfs/dbraw/zinc/81/69/05/644816905.db2.gz	DWZUEXFXHXSTRQ-WAYWQWQTSA-N	-2	0	222.196	1.248	10	0		BDAERL
CN=c1[n-]nc(SCC(C)(C)C(=O)[O-])s1	ZINC000385241004	971989907	/nfs/dbraw/zinc/98/99/07/971989907.db2.gz	CPICVHWMECXIJM-UHFFFAOYSA-N	-2	0	247.345	1.205	10	0		BDAERL
O=C([O-])Cc1c[n-]n(C2CCCCC2)c1=O	ZINC000702815044	977127403	/nfs/dbraw/zinc/12/74/03/977127403.db2.gz	LPCCUEJBTRZMEZ-MRVPVSSYSA-N	-2	0	224.260	1.238	10	0		BDAERL
CC[C@H]1CC[C@H]([C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000039101783	343383849	/nfs/dbraw/zinc/38/38/49/343383849.db2.gz	WAKRMWHPHQARDY-XHNCKOQMSA-N	-2	0	214.261	1.988	10	0		BDAERL
Cc1cccc([C@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000082538886	537805443	/nfs/dbraw/zinc/80/54/43/537805443.db2.gz	FXBAKCUXKQSNSN-JTQLQIEISA-N	-2	0	222.240	1.946	10	0		BDAERL
COc1cc([S-])c(CC(=O)[O-])c(C#N)c1	ZINC000396135869	344612959	/nfs/dbraw/zinc/61/29/59/344612959.db2.gz	JNFNWCHTKLYFNG-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c(CC(=O)[O-])ccc([S-])c1[N+](=O)[O-]	ZINC000396139848	344615047	/nfs/dbraw/zinc/61/50/47/344615047.db2.gz	WEARETANDPBSDT-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1c(C(=O)[O-])cc([S-])cc1[N+](=O)[O-]	ZINC000396149336	344622834	/nfs/dbraw/zinc/62/28/34/344622834.db2.gz	IKXRJPXCYDCFEA-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
COc1cc([S-])c(C#N)c(CC(=O)[O-])c1	ZINC000396169618	344630854	/nfs/dbraw/zinc/63/08/54/344630854.db2.gz	UDZGFINXPYRDHH-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c(C(=O)[O-])ccc([S-])c1[N+](=O)[O-]	ZINC000396160102	344633003	/nfs/dbraw/zinc/63/30/03/344633003.db2.gz	XNRSRCXPHYNPFB-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
N#Cc1cc([S-])c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000396164853	344635372	/nfs/dbraw/zinc/63/53/72/344635372.db2.gz	ODFJTYFYZAOIFU-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CC[C@H](C(=O)[O-])[C@@](CC)(C(C)=O)C(=O)[O-]	ZINC000148466913	346148422	/nfs/dbraw/zinc/14/84/22/346148422.db2.gz	GZRBFPCMWOPYMQ-GMSGAONNSA-N	-2	0	216.233	1.167	10	0		BDAERL
O=C([O-])C[C@@](O)(CCC1CCCC1)C(=O)[O-]	ZINC000725260806	538083703	/nfs/dbraw/zinc/08/37/03/538083703.db2.gz	ZUGZFEFSAGFZTF-NSHDSACASA-N	-2	0	230.260	1.247	10	0		BDAERL
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)[O-])C1	ZINC000616610250	350808699	/nfs/dbraw/zinc/80/86/99/350808699.db2.gz	VHPBEYKOLHZCFM-QMMMGPOBSA-N	-2	0	235.239	1.852	10	0		BDAERL
O=C([O-])[C@H](O)c1cc(Cl)c([O-])cc1Cl	ZINC000307051889	351454071	/nfs/dbraw/zinc/45/40/71/351454071.db2.gz	OCHGWSPFQSWPKX-SSDOTTSWSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])C(Cc1ccc(F)cc1)C(=O)[O-]	ZINC000002505304	188369505	/nfs/dbraw/zinc/36/95/05/188369505.db2.gz	HRPSEODMBMFQQQ-UHFFFAOYSA-N	-2	0	212.176	1.154	10	0		BDAERL
O=C([O-])C[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000675055719	538476541	/nfs/dbraw/zinc/47/65/41/538476541.db2.gz	XAAYNUAIXOMPIS-ZETCQYMHSA-N	-2	0	230.166	1.608	10	0		BDAERL
Cc1cc(F)c(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675061583	538488090	/nfs/dbraw/zinc/48/80/90/538488090.db2.gz	JYZUXMCEZXABJO-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
O=C([O-])CCOc1ccc([S@](=O)[O-])cc1	ZINC000675062520	538488688	/nfs/dbraw/zinc/48/86/88/538488688.db2.gz	WBSDXHBDYSTYNU-UHFFFAOYSA-N	-2	0	230.241	1.121	10	0		BDAERL
C/C(C(=O)OP(=O)([O-])[O-])=C(/C)C(C)C	ZINC000584607984	358268596	/nfs/dbraw/zinc/26/85/96/358268596.db2.gz	AMWNUFNIZBYDDV-VOTSOKGWSA-N	-2	0	222.177	1.615	10	0		BDAERL
O=C([O-])Cc1ccc(Br)c([O-])c1F	ZINC000306594308	360513006	/nfs/dbraw/zinc/51/30/06/360513006.db2.gz	FLZPNGQNQIIHQH-UHFFFAOYSA-N	-2	0	249.035	1.921	10	0		BDAERL
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1CC(=O)[O-]	ZINC000020593684	368373457	/nfs/dbraw/zinc/37/34/57/368373457.db2.gz	ISLFLORXZORDPO-UHFFFAOYSA-N	-2	0	246.266	1.410	10	0		BDAERL
CCc1c([S-])ccc([C@H](O)C(=O)[O-])c1F	ZINC000575701653	384750666	/nfs/dbraw/zinc/75/06/66/384750666.db2.gz	SUFCNRQJUQSLDC-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=P([O-])([O-])c1ccc(Cl)c(Cl)c1	ZINC000086864429	385056795	/nfs/dbraw/zinc/05/67/95/385056795.db2.gz	XXXUMWPLUMMGRR-UHFFFAOYSA-N	-2	0	226.983	1.796	10	0		BDAERL
O=C([O-])c1cc([S-])c(O)c(OC(F)F)c1	ZINC000575661639	387112672	/nfs/dbraw/zinc/11/26/72/387112672.db2.gz	KMAOJJAVFWZZIT-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
COc1c(Cl)cc(C(=O)[O-])cc1CC(=O)[O-]	ZINC000575601924	387368356	/nfs/dbraw/zinc/36/83/56/387368356.db2.gz	IXUOWJWHROSMBR-UHFFFAOYSA-N	-2	0	244.630	1.674	10	0		BDAERL
CCOc1cc(C#N)c([S-])cc1CC(=O)[O-]	ZINC000575645007	387879121	/nfs/dbraw/zinc/87/91/21/387879121.db2.gz	KJVCQYPCQFIXME-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc([S-])c(C#N)cc1CC(=O)[O-]	ZINC000575647430	387881484	/nfs/dbraw/zinc/88/14/84/387881484.db2.gz	QIYOMWGQPREIBQ-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
O=C([O-])/C=C/c1coc2cc([O-])ccc2c1=O	ZINC000005478326	388592830	/nfs/dbraw/zinc/59/28/30/388592830.db2.gz	CHUIYLKKZQVXKM-DAFODLJHSA-N	-2	0	232.191	1.596	10	0		BDAERL
CC1=C(C)C[C@@](C)(C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000075621463	168086876	/nfs/dbraw/zinc/08/68/76/168086876.db2.gz	HVNIQRBUVMQLPV-LDYMZIIASA-N	-2	0	212.245	1.908	10	0		BDAERL
COc1cc([S-])c(C(=O)[O-])cc1OC	ZINC000034108884	175013316	/nfs/dbraw/zinc/01/33/16/175013316.db2.gz	GTHVKCQKTDQFPO-UHFFFAOYSA-N	-2	0	214.242	1.691	10	0		BDAERL
O=C([O-])c1cccc2c1NCC[C@H]2C(=O)[O-]	ZINC000003784832	566376668	/nfs/dbraw/zinc/37/66/68/566376668.db2.gz	PWAUKKYQGYJMRX-SSDOTTSWSA-N	-2	0	221.212	1.369	10	0		BDAERL
O=C([O-])CCCCCCC[C@H](O)C(=O)[O-]	ZINC000005113157	571687708	/nfs/dbraw/zinc/68/77/08/571687708.db2.gz	LPIOYESQKJFWPQ-QMMMGPOBSA-N	-2	0	218.249	1.247	10	0	endogenous,in-man	BDAERL
O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000037895193	398335132	/nfs/dbraw/zinc/33/51/32/398335132.db2.gz	HLFQBQYLFPHMAA-RKDXNWHRSA-N	-2	0	249.222	1.044	10	0		BDAERL
Cc1cc(C)cc([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000082538881	537806410	/nfs/dbraw/zinc/80/64/10/537806410.db2.gz	QVLMUSLRPZYMDJ-SNVBAGLBSA-N	-2	0	222.240	1.946	10	0		BDAERL
COc1c([S-])cc(CC(=O)[O-])cc1C#N	ZINC000396136148	344613201	/nfs/dbraw/zinc/61/32/01/344613201.db2.gz	KLQFNYNOHWLQBX-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc(CC(=O)[O-])c([S-])cc1C#N	ZINC000396140239	344615117	/nfs/dbraw/zinc/61/51/17/344615117.db2.gz	XWTZLHZWZIMPMS-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c([O-])c(C(F)F)ccc1CC(=O)[O-]	ZINC000396156290	344627566	/nfs/dbraw/zinc/62/75/66/344627566.db2.gz	ILNGZCPHZPRTDS-UHFFFAOYSA-N	-2	0	227.166	1.829	10	0		BDAERL
CCOC(=O)c1c([O-])[n-]c(C(F)F)cc1=O	ZINC000309235361	350216316	/nfs/dbraw/zinc/21/63/16/350216316.db2.gz	BBGKDQFPGADBED-UHFFFAOYSA-N	-2	0	233.170	1.607	10	0		BDAERL
O=C([O-])[C@@H]1CCc2ccccc2N1C(=O)[O-]	ZINC000616667404	351224149	/nfs/dbraw/zinc/22/41/49/351224149.db2.gz	LEVUMRZMLIOWSL-VIFPVBQESA-N	-2	0	221.212	1.570	10	0		BDAERL
CC(C(=O)[O-])(C(=O)[O-])c1cccc(F)c1	ZINC000077304801	538109612	/nfs/dbraw/zinc/10/96/12/538109612.db2.gz	DNHRUUJTHBAACW-UHFFFAOYSA-N	-2	0	212.176	1.253	10	0		BDAERL
Cc1occc1-c1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000309454990	538113882	/nfs/dbraw/zinc/11/38/82/538113882.db2.gz	SCVBVJPVDHWJRO-UHFFFAOYSA-N	-2	0	220.184	1.449	10	0		BDAERL
CC(C)(C)c1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	ZINC000038550858	188282834	/nfs/dbraw/zinc/28/28/34/188282834.db2.gz	PLUQIDFYUWWKAF-UHFFFAOYSA-N	-2	0	212.205	1.104	10	0		BDAERL
Cc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000675055820	538476505	/nfs/dbraw/zinc/47/65/05/538476505.db2.gz	ZBLWYDZSRPSVRW-MRVPVSSYSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])c1ccc([N-]C(=S)[S-])cc1O	ZINC000584635927	358320046	/nfs/dbraw/zinc/32/00/46/358320046.db2.gz	RYMHAHZIEAMCBM-UHFFFAOYSA-N	-3	0	229.282	1.717	10	0		BDAERL
O=C([O-])C1CCC2(CCN(C(=O)[O-])C2)CC1	ZINC000095077898	182428791	/nfs/dbraw/zinc/42/87/91/182428791.db2.gz	NZMMVGJRUWVORX-UHFFFAOYSA-N	-2	0	227.260	1.631	10	0		BDAERL
[O-]P([O-])([O-])=[NH+]c1ccc(Cl)cc1	ZINC000001995115	383942720	/nfs/dbraw/zinc/94/27/20/383942720.db2.gz	KMMZQXVFKBCFRP-UHFFFAOYSA-N	-2	0	207.553	1.845	10	0		BDAERL
O=P([O-])([O-])c1cc(Cl)cc(Cl)c1	ZINC000095934401	384412233	/nfs/dbraw/zinc/41/22/33/384412233.db2.gz	WVAACEGLTDVRCZ-UHFFFAOYSA-N	-2	0	226.983	1.796	10	0		BDAERL
Cc1ccc([C@@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000082290134	384742301	/nfs/dbraw/zinc/74/23/01/384742301.db2.gz	QYZDEBOZYXFIMP-GFCCVEGCSA-N	-2	0	222.240	1.812	10	0		BDAERL
CCc1cc([S-])c([C@@H](O)C(=O)[O-])cc1F	ZINC000575701178	387405400	/nfs/dbraw/zinc/40/54/00/387405400.db2.gz	KJCAYQYEKAIOBS-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCOc1cc(C#N)cc([S-])c1CC(=O)[O-]	ZINC000575646249	387879047	/nfs/dbraw/zinc/87/90/47/387879047.db2.gz	MPNQLOUWHLZJGR-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCc1cc([S-])cc(C#N)c1[C@@H](O)C(=O)[O-]	ZINC000575648842	387884978	/nfs/dbraw/zinc/88/49/78/387884978.db2.gz	YOJNALGCYPBDFX-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc(C#N)cc(CC(=O)[O-])c1[S-]	ZINC000575648933	387885647	/nfs/dbraw/zinc/88/56/47/387885647.db2.gz	WHLFLJQZIQBHQC-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
COc1ccc(OC)c(C(=O)[O-])c1C(=O)[O-]	ZINC000005879915	175164685	/nfs/dbraw/zinc/16/46/85/175164685.db2.gz	VHBUDUULDRSEDI-UHFFFAOYSA-N	-2	0	226.184	1.100	10	0		BDAERL
C[C@@H](Oc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000026506155	176005932	/nfs/dbraw/zinc/00/59/32/176005932.db2.gz	QSXYGBQHRXGPMU-ZCFIWIBFSA-N	-2	0	210.185	1.237	10	0		BDAERL
C[C@H]1CCCC[C@]1(CC(=O)[O-])C(=O)[O-]	ZINC000075601548	177090501	/nfs/dbraw/zinc/09/05/01/177090501.db2.gz	BAZDXKXWSWZAAX-OIBJUYFYSA-N	-2	0	200.234	1.742	10	0		BDAERL
C[C@H]1C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000004321963	177354804	/nfs/dbraw/zinc/35/48/04/177354804.db2.gz	NSVFQYRNBOFQMT-DKXJUACHSA-N	-2	0	200.234	1.454	10	0		BDAERL
C[C@H](C(=O)[O-])[C@@H]1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000100778218	571827203	/nfs/dbraw/zinc/82/72/03/571827203.db2.gz	OIFCPZGZZQQDNO-KVPKETBZSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
Cc1sc(C)c(C(=O)[O-])c1C(=O)[O-]	ZINC000140151304	582564957	/nfs/dbraw/zinc/56/49/57/582564957.db2.gz	HDMKLCYWTZAXEN-UHFFFAOYSA-N	-2	0	200.215	1.761	10	0		BDAERL
Cc1cc(C(=O)[O-])cc([S@](=O)[O-])c1Cl	ZINC000307455904	582655428	/nfs/dbraw/zinc/65/54/28/582655428.db2.gz	XPQAVTKHEKAGSF-UHFFFAOYSA-N	-2	0	234.660	1.927	10	0		BDAERL
Cc1cccc([C@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000675054303	583929818	/nfs/dbraw/zinc/92/98/18/583929818.db2.gz	MYBBYUSODVYLSQ-QMMMGPOBSA-N	-2	0	226.203	1.777	10	0		BDAERL
Cc1ccc(-n2cc(C(=O)[O-])c(=O)[n-]2)cc1	ZINC000059561337	178345531	/nfs/dbraw/zinc/34/55/31/178345531.db2.gz	GLHYEOAMARJAJN-UHFFFAOYSA-N	-2	0	218.212	1.585	10	0		BDAERL
CC(C)(C(=O)[O-])[C@H]1CC[C@H](C(=O)[O-])C1	ZINC000005357525	342762510	/nfs/dbraw/zinc/76/25/10/342762510.db2.gz	QSRHRQWRLFGZKS-BQBZGAKWSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])c1ccc2c(cccc2C(=O)[O-])n1	ZINC000034077033	343264394	/nfs/dbraw/zinc/26/43/94/343264394.db2.gz	QQPOMDFNWUIUJL-UHFFFAOYSA-N	-2	0	217.180	1.631	10	0		BDAERL
CC(C)C(=O)C=C([O-])c1ccc(C(=O)[O-])cn1	ZINC000221048976	343300946	/nfs/dbraw/zinc/30/09/46/343300946.db2.gz	SAWJTUJXXSONHC-UHFFFAOYSA-N	-2	0	235.239	1.578	10	0		BDAERL
Cc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-])cc1	ZINC000005165939	178649602	/nfs/dbraw/zinc/64/96/02/178649602.db2.gz	XPZZWGCWZIXAAQ-KOLCDFICSA-N	-2	0	236.267	1.959	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c([O-])c(C(F)F)c1	ZINC000396135545	344613135	/nfs/dbraw/zinc/61/31/35/344613135.db2.gz	IQCURQISNZGJAU-UHFFFAOYSA-N	-2	0	227.166	1.829	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1[S-]	ZINC000396140259	344615596	/nfs/dbraw/zinc/61/55/96/344615596.db2.gz	YAQQPKAHXOZMRY-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396154745	344626590	/nfs/dbraw/zinc/62/65/90/344626590.db2.gz	PSPXWYCCXPAADS-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
O=C([O-])c1cc(Br)nc(C(=O)[O-])c1	ZINC000238627532	345097506	/nfs/dbraw/zinc/09/75/06/345097506.db2.gz	FPCOZGFBXLPCLJ-UHFFFAOYSA-N	-2	0	246.016	1.241	10	0		BDAERL
O=C([O-])c1cnc(Cl)c(C(=O)[O-])c1	ZINC000218697466	353136009	/nfs/dbraw/zinc/13/60/09/353136009.db2.gz	BXDZHZOSNPPVAY-UHFFFAOYSA-N	-2	0	201.565	1.131	10	0		BDAERL
COc1c(O)cc(C(=O)[O-])cc1[S-]	ZINC000005998633	188278071	/nfs/dbraw/zinc/27/80/71/188278071.db2.gz	AZIKKAGXVJGGCR-UHFFFAOYSA-N	-2	0	200.215	1.388	10	0		BDAERL
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000040701060	188292657	/nfs/dbraw/zinc/29/26/57/188292657.db2.gz	QBJJTDMZVRHAPP-OJOKCITNSA-N	-2	0	210.229	1.374	10	0		BDAERL
CCC1=C(C(=O)[O-])[C@@](CC)(C(=O)[O-])NC=C1	ZINC000096662642	188321572	/nfs/dbraw/zinc/32/15/72/188321572.db2.gz	BTUILQPPSWFJMM-NSHDSACASA-N	-2	0	225.244	1.128	10	0		BDAERL
Cc1c(F)cc([S@](=O)[O-])cc1C(=O)[O-]	ZINC000675062268	538488599	/nfs/dbraw/zinc/48/85/99/538488599.db2.gz	OCZUKEOHLUISFV-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
O=C([O-])c1[n-]c(-c2cccc(O)c2)[nH+]c1C(=O)[O-]	ZINC000584622870	358290779	/nfs/dbraw/zinc/29/07/79/358290779.db2.gz	YSHICVISFHCKPW-UHFFFAOYSA-N	-2	0	248.194	1.179	10	0		BDAERL
O=C([O-])[C@@H](O)c1cc(Cl)c([O-])c(Cl)c1	ZINC000138517611	360782430	/nfs/dbraw/zinc/78/24/30/360782430.db2.gz	VRBWLJOQTLYNPI-LURJTMIESA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])Cc1cc([O-])c(Br)c(F)c1	ZINC000217625769	371988547	/nfs/dbraw/zinc/98/85/47/371988547.db2.gz	CCAKBAHCRYEKGS-UHFFFAOYSA-N	-2	0	249.035	1.921	10	0		BDAERL
CCc1c([S-])cc(C#N)cc1[C@H](O)C(=O)[O-]	ZINC000575648755	383913366	/nfs/dbraw/zinc/91/33/66/383913366.db2.gz	XUBIGOILBFMAKY-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1c(C#N)ccc(CC(=O)[O-])c1[S-]	ZINC000575649319	383960861	/nfs/dbraw/zinc/96/08/61/383960861.db2.gz	YOPCTFATACWJAH-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
O=C([O-])/C=C/c1ccc(/C=C/C(=O)[O-])s1	ZINC000005514139	384117234	/nfs/dbraw/zinc/11/72/34/384117234.db2.gz	FHZOVGZTZSYHJD-GGWOSOGESA-N	-2	0	224.237	1.944	10	0		BDAERL
O=C([O-])/C=C/c1c[nH]c2c1cccc2C(=O)[O-]	ZINC000044201368	384320979	/nfs/dbraw/zinc/32/09/79/384320979.db2.gz	HZEFRRTZYAJMLU-SNAWJCMRSA-N	-2	0	231.207	1.964	10	0		BDAERL
C[C@H]1[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])C1(C)C	ZINC000016134056	384453831	/nfs/dbraw/zinc/45/38/31/384453831.db2.gz	VWSICSGXUBUSMN-XVMARJQXSA-N	-2	0	200.234	1.454	10	0		BDAERL
O=C([O-])c1c(O)cc([S-])cc1OC(F)F	ZINC000575661360	387060138	/nfs/dbraw/zinc/06/01/38/387060138.db2.gz	FXOMRLDMGFXWKT-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])c1cc(O)c([S-])cc1OC(F)F	ZINC000575661170	387063465	/nfs/dbraw/zinc/06/34/65/387063465.db2.gz	AHMNXHCVADRKGC-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCOc1cc([S-])cc(CC(=O)[O-])c1C#N	ZINC000575644817	387876570	/nfs/dbraw/zinc/87/65/70/387876570.db2.gz	JCNNGTSBDHIBFA-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc([S-])c(C#N)cc1C(=O)[O-]	ZINC000575647454	387881696	/nfs/dbraw/zinc/88/16/96/387881696.db2.gz	QMPQVHVQPWREQJ-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])c(C#N)cc1[S-]	ZINC000575648592	387885409	/nfs/dbraw/zinc/88/54/09/387885409.db2.gz	VGWDDPNWTRSYTO-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc(C#N)c([S-])c([C@H](O)C(=O)[O-])c1	ZINC000575649085	387887048	/nfs/dbraw/zinc/88/70/48/387887048.db2.gz	ZTHOHFILHDYADO-VIFPVBQESA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])c1c[n-]n(Cc2ccccc2)c1=O	ZINC000133062402	388376732	/nfs/dbraw/zinc/37/67/32/388376732.db2.gz	IZZIZUSYZPPMIT-UHFFFAOYSA-N	-2	0	218.212	1.335	10	0		BDAERL
C[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000049826962	176003954	/nfs/dbraw/zinc/00/39/54/176003954.db2.gz	ZOPFZPGPAKRUFE-ZCFIWIBFSA-N	-2	0	210.185	1.237	10	0		BDAERL
Cc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000675054302	583930009	/nfs/dbraw/zinc/93/00/09/583930009.db2.gz	MYBBYUSODVYLSQ-MRVPVSSYSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=c1c(F)c([O-])nc2c(Br)c[n-]n21	ZINC000711965158	538955072	/nfs/dbraw/zinc/95/50/72/538955072.db2.gz	OLJGVSAQMMGATR-UHFFFAOYSA-N	-2	0	248.011	1.042	10	0		BDAERL
O=C([O-])c1cc2cc(F)ccc2nc1C(=O)[O-]	ZINC000032099219	343229608	/nfs/dbraw/zinc/22/96/08/343229608.db2.gz	QAZCTGRYQFUEHS-UHFFFAOYSA-N	-2	0	235.170	1.770	10	0		BDAERL
COc1ccc(C#N)c(CC(=O)[O-])c1[S-]	ZINC000396134059	344612664	/nfs/dbraw/zinc/61/26/64/344612664.db2.gz	CBBVTVMTQDIORE-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1c([N+](=O)[O-])ccc([S-])c1CC(=O)[O-]	ZINC000396135840	344613024	/nfs/dbraw/zinc/61/30/24/344613024.db2.gz	JKTDCCMHRYUEJA-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1ccc([S-])c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396148232	344621538	/nfs/dbraw/zinc/62/15/38/344621538.db2.gz	GXSRPHJEKDGXOI-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
O=C([O-])c1n[nH]c2cc(C(=O)[O-])cc(Cl)c21	ZINC000014983911	350442838	/nfs/dbraw/zinc/44/28/38/350442838.db2.gz	VARSNOLJQZCDJM-UHFFFAOYSA-N	-2	0	240.602	1.613	10	0		BDAERL
O=C([O-])[C@H]1CCc2ccccc2N1C(=O)[O-]	ZINC000616667424	351224106	/nfs/dbraw/zinc/22/41/06/351224106.db2.gz	LEVUMRZMLIOWSL-SECBINFHSA-N	-2	0	221.212	1.570	10	0		BDAERL
Cc1ccc2[nH]c(C(=O)[O-])c(CC(=O)[O-])c2c1	ZINC000026440341	188283354	/nfs/dbraw/zinc/28/33/54/188283354.db2.gz	HFKKVKDFWLNTGU-UHFFFAOYSA-N	-2	0	233.223	1.802	10	0		BDAERL
O=C([O-])c1cc2c(c([S@](=O)[O-])c1)CCCC2	ZINC000675061470	538487891	/nfs/dbraw/zinc/48/78/91/538487891.db2.gz	YFWGEKYXSRAPCD-UHFFFAOYSA-N	-2	0	240.280	1.844	10	0		BDAERL
O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1F	ZINC000258823873	538799122	/nfs/dbraw/zinc/79/91/22/538799122.db2.gz	OVROISFCZURZRU-RDDDGLTNSA-N	-2	0	224.187	1.253	10	0		BDAERL
Cc1c(Cl)cc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000307403133	541315620	/nfs/dbraw/zinc/31/56/20/541315620.db2.gz	BTZGTFQKIGZUIM-UHFFFAOYSA-N	-2	0	234.660	1.927	10	0		BDAERL
Cc1cc([S@](=O)[O-])sc1C(=O)[O-]	ZINC000675060702	541463852	/nfs/dbraw/zinc/46/38/52/541463852.db2.gz	HIKHITKXQJCSPW-UHFFFAOYSA-N	-2	0	206.244	1.335	10	0		BDAERL
CCC(CC)C(=O)[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000148466232	368350744	/nfs/dbraw/zinc/35/07/44/368350744.db2.gz	IOJSRDZOBPVJAO-ZETCQYMHSA-N	-2	0	216.233	1.167	10	0		BDAERL
O=C([O-])Cc1c[n-]n(C2CCCCC2)c1=O	ZINC000216185155	368401152	/nfs/dbraw/zinc/40/11/52/368401152.db2.gz	JBBXLXYFSHORHK-UHFFFAOYSA-N	-2	0	224.260	1.309	10	0		BDAERL
O=C(NC1CCCCC1)P(=O)([O-])[O-]	ZINC000013561088	182112697	/nfs/dbraw/zinc/11/26/97/182112697.db2.gz	QQRCALUVCOFAOX-UHFFFAOYSA-N	-2	0	207.166	1.206	10	0		BDAERL
C[C@H](/C=C/C(=O)[O-])COC[C@@H](C)/C=C/C(=O)[O-]	ZINC000087491339	383849328	/nfs/dbraw/zinc/84/93/28/383849328.db2.gz	FDUBMLURRHGVRD-YVRBYKCLSA-N	-2	0	242.271	1.557	10	0		BDAERL
O=Cc1cc(C(F)F)c([O-])cc1C(=O)[O-]	ZINC000575669599	387329561	/nfs/dbraw/zinc/32/95/61/387329561.db2.gz	FILCUFSLZCZWIL-UHFFFAOYSA-N	-2	0	216.139	1.841	10	0		BDAERL
CCc1ccc(F)c([S-])c1[C@H](O)C(=O)[O-]	ZINC000575700663	387403480	/nfs/dbraw/zinc/40/34/80/387403480.db2.gz	DYIIDGUBPABFRO-QMMMGPOBSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCOc1cc(CC(=O)[O-])cc([S-])c1C#N	ZINC000575645923	387876434	/nfs/dbraw/zinc/87/64/34/387876434.db2.gz	KWSYECDBZVMFNZ-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCc1cc([C@H](O)C(=O)[O-])cc([S-])c1C#N	ZINC000575644638	387876750	/nfs/dbraw/zinc/87/67/50/387876750.db2.gz	IDMLBULLBIKYCA-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc(C#N)c([S-])c(CC(=O)[O-])c1	ZINC000575644729	387876797	/nfs/dbraw/zinc/87/67/97/387876797.db2.gz	IGMFXSDKMXIFRO-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc([S-])c(C#N)c(CC(=O)[O-])c1	ZINC000575644762	387877069	/nfs/dbraw/zinc/87/70/69/387877069.db2.gz	ITMYBDMXAUOUMT-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc(C(=O)[O-])c([S-])cc1C#N	ZINC000575647936	387880691	/nfs/dbraw/zinc/88/06/91/387880691.db2.gz	UOARQCMWEPCPAV-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCOc1cc([S-])c(C#N)c(C(=O)[O-])c1	ZINC000575648916	387885880	/nfs/dbraw/zinc/88/58/80/387885880.db2.gz	WFWPMLYRJNPJOS-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CC(C)[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C(C)C	ZINC000002578842	167347490	/nfs/dbraw/zinc/34/74/90/167347490.db2.gz	HSCLUIKEZDGKBP-HTQZYQBOSA-N	-2	0	202.250	1.700	10	0		BDAERL
CCc1oc(CC)c(C(=O)[O-])c1C(=O)[O-]	ZINC000083434095	172110903	/nfs/dbraw/zinc/11/09/03/172110903.db2.gz	ACHCCDNEOFTUTH-UHFFFAOYSA-N	-2	0	212.201	1.801	10	0		BDAERL
COc1cc(OC)c(C(=O)[O-])c(C(=O)[O-])c1	ZINC000005915292	175007289	/nfs/dbraw/zinc/00/72/89/175007289.db2.gz	UQUKRJYHFUTWCC-UHFFFAOYSA-N	-2	0	226.184	1.100	10	0		BDAERL
C[C@H]1CCCC[C@@]1(CC(=O)[O-])C(=O)[O-]	ZINC000075601546	177085674	/nfs/dbraw/zinc/08/56/74/177085674.db2.gz	BAZDXKXWSWZAAX-XVKPBYJWSA-N	-2	0	200.234	1.742	10	0		BDAERL
Cc1[n-]n(C)c(=O)c1-c1cccc(C(=O)[O-])c1	ZINC000675054175	566416462	/nfs/dbraw/zinc/41/64/62/566416462.db2.gz	OBLONIKQMZDLTN-UHFFFAOYSA-N	-2	0	232.239	1.799	10	0		BDAERL
Cc1ccccc1[C@]1(C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000196206212	539011636	/nfs/dbraw/zinc/01/16/36/539011636.db2.gz	XERCELLXXQEWDV-JOYOIKCWSA-N	-2	0	220.224	1.422	10	0		BDAERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1C=O	ZINC000396139637	344614956	/nfs/dbraw/zinc/61/49/56/344614956.db2.gz	VHFKAHJBEXUAJP-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
COc1c(C#N)ccc(CC(=O)[O-])c1[S-]	ZINC000396140281	344615642	/nfs/dbraw/zinc/61/56/42/344615642.db2.gz	YERKMKHHTWZLEF-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
C[C@H](SCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000034147047	345818292	/nfs/dbraw/zinc/81/82/92/345818292.db2.gz	RHILNMPTVNTHEN-WDSKDSINSA-N	-2	0	238.330	1.399	10	0		BDAERL
O=C([O-])C(CC1CC(F)(F)C1)C(=O)[O-]	ZINC000222117624	350230308	/nfs/dbraw/zinc/23/03/08/350230308.db2.gz	HTMUCHSAIHTUIP-UHFFFAOYSA-N	-2	0	208.160	1.207	10	0		BDAERL
CCCC[C@@H](C)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260658	538083595	/nfs/dbraw/zinc/08/35/95/538083595.db2.gz	XILHJABFXBPVMV-GMSGAONNSA-N	-2	0	218.249	1.103	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc(Cl)c1[O-]	ZINC000168367389	351390915	/nfs/dbraw/zinc/39/09/15/351390915.db2.gz	FLJCUXHZDXQIHH-UHFFFAOYSA-N	-2	0	211.604	1.544	10	0		BDAERL
O=C([O-])C(C(=O)[O-])c1cccc(Cl)c1	ZINC000013536657	187587349	/nfs/dbraw/zinc/58/73/49/187587349.db2.gz	RTDYUOVPTSZADH-UHFFFAOYSA-N	-2	0	214.604	1.593	10	0		BDAERL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[O-]	ZINC000404967784	352646567	/nfs/dbraw/zinc/64/65/67/352646567.db2.gz	JLIIFNKBIJKMPU-UHFFFAOYSA-N	-2	0	222.243	1.001	10	0		BDAERL
O=C([O-])C[C@H](C(=O)[O-])c1cc(F)cc(F)c1	ZINC000675055650	538476371	/nfs/dbraw/zinc/47/63/71/538476371.db2.gz	WBIKUYDEWRWFBJ-QMMMGPOBSA-N	-2	0	230.166	1.608	10	0		BDAERL
Cc1ccc(F)c([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000675055826	538476450	/nfs/dbraw/zinc/47/64/50/538476450.db2.gz	ZCBTUBPRWCFAOE-MRVPVSSYSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])C[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000038436795	368326641	/nfs/dbraw/zinc/32/66/41/368326641.db2.gz	SJKXNHTVHUHAOG-MRVPVSSYSA-N	-2	0	247.250	1.886	10	0		BDAERL
O=C([O-])c1ccc(C[P@](=O)([O-])O)cc1	ZINC000078310675	368348285	/nfs/dbraw/zinc/34/82/85/368348285.db2.gz	OXYRLNBFAYYOPG-UHFFFAOYSA-N	-2	0	216.129	1.063	10	0		BDAERL
O=C([O-])C(=O)C=C([O-])c1cccc(Cl)c1	ZINC000028257194	182416569	/nfs/dbraw/zinc/41/65/69/182416569.db2.gz	OGKORXSMGAWLDU-UHFFFAOYSA-N	-2	0	226.615	1.567	10	0		BDAERL
O=C([O-])c1nc2ccc(Br)[n-]c-2n1	ZINC000091366353	384123118	/nfs/dbraw/zinc/12/31/18/384123118.db2.gz	YSXKLAMKWDGOSA-UHFFFAOYSA-N	-2	0	242.032	1.419	10	0		BDAERL
O=C([O-])Cc1c(F)ccc(CO)c1[S-]	ZINC000575706521	384799322	/nfs/dbraw/zinc/79/93/22/384799322.db2.gz	YLBDFLOPJYENOX-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCOc1c(C#N)cc([S-])cc1C(=O)[O-]	ZINC000575644668	386584487	/nfs/dbraw/zinc/58/44/87/386584487.db2.gz	HWIAFFUFQJYFII-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1c(F)cc([C@@H](O)C(=O)[O-])cc1[S-]	ZINC000575701466	387405146	/nfs/dbraw/zinc/40/51/46/387405146.db2.gz	PNLGZGYCGCMWGT-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc([S-])c(F)cc1CO	ZINC000575706244	387410265	/nfs/dbraw/zinc/41/02/65/387410265.db2.gz	UGRWOVINLOKUPA-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCOc1cc([S-])cc(C#N)c1CC(=O)[O-]	ZINC000575643953	387870665	/nfs/dbraw/zinc/87/06/65/387870665.db2.gz	FKVCGTTUVQKTHB-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCc1cc(C#N)cc([C@@H](O)C(=O)[O-])c1[S-]	ZINC000575643920	387870931	/nfs/dbraw/zinc/87/09/31/387870931.db2.gz	DKKDRUJZQJHZCZ-SECBINFHSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])c(C#N)cc1[C@@H](O)C(=O)[O-]	ZINC000575644577	387876169	/nfs/dbraw/zinc/87/61/69/387876169.db2.gz	HXXCTOGECCUAKK-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc(CC(=O)[O-])c([S-])cc1C#N	ZINC000575647684	387884362	/nfs/dbraw/zinc/88/43/62/387884362.db2.gz	SPSJFNANNMNMBL-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
COc1ccc(C(=O)[O-])c(O[C@H](C)C(=O)[O-])c1	ZINC000043629392	175064660	/nfs/dbraw/zinc/06/46/60/175064660.db2.gz	QZRZBBFQYWSTHQ-ZCFIWIBFSA-N	-2	0	240.211	1.245	10	0		BDAERL
CS[C@H](C(=O)[O-])c1c(C)o[n-]c1=O	ZINC000013738680	175553738	/nfs/dbraw/zinc/55/37/38/175553738.db2.gz	OMDOWPMHJUMXSR-YFKPBYRVSA-N	-2	0	203.219	1.177	10	0		BDAERL
C[C@@H]1CCC(C(=O)[O-])(C(=O)[O-])C[C@@H]1C	ZINC000075601541	177063419	/nfs/dbraw/zinc/06/34/19/177063419.db2.gz	QFKSUEKEZXQGGY-RQJHMYQMSA-N	-2	0	200.234	1.598	10	0		BDAERL
COc1cc(C(=O)[O-])cc(C(=O)[O-])c1OC	ZINC000013481390	560217362	/nfs/dbraw/zinc/21/73/62/560217362.db2.gz	CXAGSQYSJIQUGD-UHFFFAOYSA-N	-2	0	226.184	1.100	10	0	biogenic,in-vitro	BDAERL
O=C([O-])C[C@H](C(=O)[O-])c1cc(F)ccc1O	ZINC000675053143	583917115	/nfs/dbraw/zinc/91/71/15/583917115.db2.gz	GNDXUEBRZPIMAT-ZETCQYMHSA-N	-2	0	228.175	1.174	10	0		BDAERL
C[C@H](n1[n-]cc(CC(=O)[O-])c1=O)C(C)(C)C	ZINC000702796089	977125781	/nfs/dbraw/zinc/12/57/81/977125781.db2.gz	KNDZGSLHQOEBQC-JGVFFNPUSA-N	-2	0	226.276	1.340	10	0		BDAERL
Cc1ccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)[O-])cc1	ZINC000005165945	342759513	/nfs/dbraw/zinc/75/95/13/342759513.db2.gz	XPZZWGCWZIXAAQ-GXSJLCMTSA-N	-2	0	236.267	1.959	10	0		BDAERL
O=C([O-])c1cc(N2CCCC2)cc(C(=O)[O-])[nH+]1	ZINC000216906171	344170788	/nfs/dbraw/zinc/17/07/88/344170788.db2.gz	LJFOMJKDLGQMEO-UHFFFAOYSA-N	-2	0	236.227	1.078	10	0		BDAERL
N#Cc1c([S-])c(CC(=O)[O-])ccc1C=O	ZINC000396134042	344612633	/nfs/dbraw/zinc/61/26/33/344612633.db2.gz	BTACFQISSQIRQL-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
COc1ccc([S-])c(CC(=O)[O-])c1C#N	ZINC000396135513	344613237	/nfs/dbraw/zinc/61/32/37/344613237.db2.gz	IOIDBYWGIBJTMM-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc(C=O)c([S-])c(CC(=O)[O-])c1	ZINC000396138174	344614014	/nfs/dbraw/zinc/61/40/14/344614014.db2.gz	QOBMDAJTSLWILF-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1ccc([O-])c(C(F)F)c1C(=O)[O-]	ZINC000396144114	344617322	/nfs/dbraw/zinc/61/73/22/344617322.db2.gz	CFQOKNIMYRHMMO-UHFFFAOYSA-N	-2	0	213.139	1.900	10	0		BDAERL
Cc1cc([C@@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000675054510	537895158	/nfs/dbraw/zinc/89/51/58/537895158.db2.gz	NYDRQASNZVKDFG-MRVPVSSYSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])c1n[nH]c2cc(C(=O)[O-])cc(F)c21	ZINC000014983831	350441307	/nfs/dbraw/zinc/44/13/07/350441307.db2.gz	JGDXJBRBTBLFCN-UHFFFAOYSA-N	-2	0	224.147	1.098	10	0		BDAERL
O=C([O-])[C@H](O)c1ccc([O-])c(Cl)c1Cl	ZINC000307272949	351825231	/nfs/dbraw/zinc/82/52/31/351825231.db2.gz	HALCRERWNPOHPX-SSDOTTSWSA-N	-2	0	237.038	1.817	10	0		BDAERL
CC(C)(CC(=O)[O-])SCCC(=O)[O-]	ZINC000095080478	188319262	/nfs/dbraw/zinc/31/92/62/188319262.db2.gz	OLMHBRLOCBGCHR-UHFFFAOYSA-N	-2	0	206.263	1.448	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1[S-]	ZINC000396134098	356456637	/nfs/dbraw/zinc/45/66/37/356456637.db2.gz	CQDIUWHXOTZAOC-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
O=C([O-])c1cc(C(F)(F)F)[n-]c2n[nH]c(=O)c1-2	ZINC000675069757	538499425	/nfs/dbraw/zinc/49/94/25/538499425.db2.gz	YBDOVEKNSBXJBD-UHFFFAOYSA-N	-2	0	247.132	1.381	10	0		BDAERL
O=C([O-])c1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000014982855	182554026	/nfs/dbraw/zinc/55/40/26/182554026.db2.gz	MRCKESUYLIBIPB-UHFFFAOYSA-N	-2	0	205.169	1.564	10	0		BDAERL
C[C@@H](/C=C/C(=O)[O-])COC[C@@H](C)/C=C/C(=O)[O-]	ZINC000087491342	383848888	/nfs/dbraw/zinc/84/88/88/383848888.db2.gz	FDUBMLURRHGVRD-AYRDZAOQSA-N	-2	0	242.271	1.557	10	0		BDAERL
Cc1ccc([C@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000082290136	384742337	/nfs/dbraw/zinc/74/23/37/384742337.db2.gz	QYZDEBOZYXFIMP-LBPRGKRZSA-N	-2	0	222.240	1.812	10	0		BDAERL
CCc1cc(F)c([S-])c([C@H](O)C(=O)[O-])c1	ZINC000575700551	387403967	/nfs/dbraw/zinc/40/39/67/387403967.db2.gz	DAMDKOQXVIWXBP-QMMMGPOBSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1cc([S-])cc(F)c1[C@@H](O)C(=O)[O-]	ZINC000575701169	387404787	/nfs/dbraw/zinc/40/47/87/387404787.db2.gz	KCZCBSHLJKMBAE-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1c([S-])ccc([C@@H](O)C(=O)[O-])c1F	ZINC000575701652	387404789	/nfs/dbraw/zinc/40/47/89/387404789.db2.gz	SUFCNRQJUQSLDC-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
Cc1[n-]n(C2CCCC2)c(=O)c1CC(=O)[O-]	ZINC000040927466	168133269	/nfs/dbraw/zinc/13/32/69/168133269.db2.gz	NEKIMGZLAOEMSI-SECBINFHSA-N	-2	0	224.260	1.238	10	0		BDAERL
CC[C@@H]1CC[C@H]([C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000039101782	171058151	/nfs/dbraw/zinc/05/81/51/171058151.db2.gz	WAKRMWHPHQARDY-HRDYMLBCSA-N	-2	0	214.261	1.988	10	0		BDAERL
CCn1cc(C(=O)[O-])c2cc(C(=O)[O-])cnc21	ZINC000095937187	172156164	/nfs/dbraw/zinc/15/61/64/172156164.db2.gz	BPVFOECGDYNUCW-UHFFFAOYSA-N	-2	0	234.211	1.453	10	0		BDAERL
COc1cccc([C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000057955194	175294063	/nfs/dbraw/zinc/29/40/63/175294063.db2.gz	SXMOBPUOJUJLMR-JTQLQIEISA-N	-2	0	238.239	1.728	10	0		BDAERL
COc1ccccc1C(CC(=O)[O-])CC(=O)[O-]	ZINC000038525148	175319609	/nfs/dbraw/zinc/31/96/09/175319609.db2.gz	KKGCYFJUMQOCIR-UHFFFAOYSA-N	-2	0	238.239	1.728	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(F)c(F)c1	ZINC000082541933	566410544	/nfs/dbraw/zinc/41/05/44/566410544.db2.gz	PGFPPQGYTVMEAS-ZCFIWIBFSA-N	-2	0	230.166	1.608	10	0		BDAERL
CC(C)(C(=O)[O-])[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000005357532	342762582	/nfs/dbraw/zinc/76/25/82/342762582.db2.gz	QSRHRQWRLFGZKS-RQJHMYQMSA-N	-2	0	200.234	1.598	10	0		BDAERL
O=C([O-])c1cc2c(cc(C(=O)[O-])cc2C(=O)[O-])[nH]1	ZINC000042689534	342780736	/nfs/dbraw/zinc/78/07/36/342780736.db2.gz	AYOFZQNDOANLSQ-UHFFFAOYSA-N	-3	0	249.178	1.263	10	0		BDAERL
CCCC(CC(C)C)(C(=O)[O-])C(=O)[O-]	ZINC000059430215	539014197	/nfs/dbraw/zinc/01/41/97/539014197.db2.gz	DZPIPDPORJPJSJ-UHFFFAOYSA-N	-2	0	202.250	1.988	10	0		BDAERL
O=C([O-])c1ccc2c(c1)nccc2C(=O)[O-]	ZINC000039121356	343385953	/nfs/dbraw/zinc/38/59/53/343385953.db2.gz	ZTGFXCFSVVYDEX-UHFFFAOYSA-N	-2	0	217.180	1.631	10	0		BDAERL
COc1c(CC(=O)[O-])ccc([S-])c1C#N	ZINC000396133776	344612108	/nfs/dbraw/zinc/61/21/08/344612108.db2.gz	AWQSHQRECMFJBI-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1cc(C#N)c(CC(=O)[O-])cc1[S-]	ZINC000396138742	344614455	/nfs/dbraw/zinc/61/44/55/344614455.db2.gz	SDKBPPHXOPZZLG-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])cc(C=O)c1[S-]	ZINC000396140211	344615060	/nfs/dbraw/zinc/61/50/60/344615060.db2.gz	XPRLTZSPPUHZGJ-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc(C=O)cc(CC(=O)[O-])c1[S-]	ZINC000396139823	344615087	/nfs/dbraw/zinc/61/50/87/344615087.db2.gz	VVYIIEPHXBYBBU-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1ccc([S-])c([N+](=O)[O-])c1C(=O)[O-]	ZINC000396168859	344630494	/nfs/dbraw/zinc/63/04/94/344630494.db2.gz	SDKRQYJDRLRJSO-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
C[C@@H]1CC[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000238481117	345057311	/nfs/dbraw/zinc/05/73/11/345057311.db2.gz	LNJSPOAFJBLAJP-ULAWRXDQSA-N	-2	0	200.234	1.454	10	0		BDAERL
Cc1cc(C(=O)[O-])cc([S@](=O)[O-])c1F	ZINC000306245704	537912516	/nfs/dbraw/zinc/91/25/16/537912516.db2.gz	WEYGKDHXPNCTOW-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
C#CCC(CCc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000137753733	345803073	/nfs/dbraw/zinc/80/30/73/345803073.db2.gz	CFOOZGRTDSTCDN-UHFFFAOYSA-N	-2	0	246.262	1.798	10	0		BDAERL
O=C([O-])c1ccc2c(c1)NC(=O)C2=C[O-]	ZINC000143713307	345867021	/nfs/dbraw/zinc/86/70/21/345867021.db2.gz	XEIUTPGJALUGOR-DAXSKMNVSA-N	-2	0	205.169	1.236	10	0		BDAERL
Cc1cccc(C(C)(C(=O)[O-])C(=O)[O-])c1	ZINC000077301216	537942261	/nfs/dbraw/zinc/94/22/61/537942261.db2.gz	ZEUGLWZDIWRNHO-UHFFFAOYSA-N	-2	0	208.213	1.422	10	0		BDAERL
Cc1cccc(C(=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000082291475	179025617	/nfs/dbraw/zinc/02/56/17/179025617.db2.gz	GLCAJQAFBKYBPU-SSDOTTSWSA-N	-2	0	224.212	1.545	10	0		BDAERL
Cc1c(O)cc(C(=O)[O-])c(C)c1C(=O)[O-]	ZINC000071603451	350116769	/nfs/dbraw/zinc/11/67/69/350116769.db2.gz	WWOLQQYWRBCBGQ-UHFFFAOYSA-N	-2	0	210.185	1.405	10	0		BDAERL
O=C([O-])[C@H]1CNc2ccccc2N1C(=O)[O-]	ZINC000616684650	351255783	/nfs/dbraw/zinc/25/57/83/351255783.db2.gz	NEIKCGQZJNZNNF-MRVPVSSYSA-N	-2	0	222.200	1.050	10	0		BDAERL
O=C([O-])[C@@H](O)c1cc(Cl)c([O-])cc1Cl	ZINC000307051893	351454260	/nfs/dbraw/zinc/45/42/60/351454260.db2.gz	OCHGWSPFQSWPKX-ZETCQYMHSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])c1cc(Cl)c(O)c([S@](=O)[O-])c1	ZINC000675061123	538487111	/nfs/dbraw/zinc/48/71/11/538487111.db2.gz	PGKDCCCJXJBRJJ-UHFFFAOYSA-N	-2	0	236.632	1.324	10	0		BDAERL
O=C([O-])O[C@@H]1[C@H]2C=C[C@@H]3[C@@H]([C@H]3OC(=O)[O-])[C@@H]12	ZINC000584657732	358309579	/nfs/dbraw/zinc/30/95/79/358309579.db2.gz	GDORIDLYNFFMCN-CBUHOJLWSA-N	-2	0	226.184	1.175	10	0		BDAERL
CCCCCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000725272998	541340691	/nfs/dbraw/zinc/34/06/91/541340691.db2.gz	OWJIAECDMCMDNK-JGVFFNPUSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1	ZINC000039273948	182545720	/nfs/dbraw/zinc/54/57/20/182545720.db2.gz	CPBWKVACBJABJR-LDYMZIIASA-N	-2	0	206.197	1.114	10	0		BDAERL
O=C([O-])c1cccc2c1[C@H](C(=O)[O-])CCC2	ZINC000034246884	182580509	/nfs/dbraw/zinc/58/05/09/182580509.db2.gz	SPHOFVYFEMTGKK-SECBINFHSA-N	-2	0	220.224	1.889	10	0		BDAERL
CC(=O)Nc1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC000034288531	383866946	/nfs/dbraw/zinc/86/69/46/383866946.db2.gz	KAHYQMPCKOTUFX-UHFFFAOYSA-N	-2	0	223.184	1.041	10	0		BDAERL
Cc1cccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)[O-])c1	ZINC000005007698	384095232	/nfs/dbraw/zinc/09/52/32/384095232.db2.gz	INWOKZOLKGYIQG-GXSJLCMTSA-N	-2	0	236.267	1.959	10	0		BDAERL
O=C([O-])c1ccnc(C(=O)[O-])c1Br	ZINC000098179696	384602565	/nfs/dbraw/zinc/60/25/65/384602565.db2.gz	OMABVJASPNOYSD-UHFFFAOYSA-N	-2	0	246.016	1.241	10	0		BDAERL
O=C([O-])C1(C(=O)[O-])C[C@@H]2CCCC[C@H]2C1	ZINC000575602847	387366691	/nfs/dbraw/zinc/36/66/91/387366691.db2.gz	YBIFBICLQIKBOF-YUMQZZPRSA-N	-2	0	212.245	1.742	10	0		BDAERL
CCc1c(F)c([S-])ccc1[C@@H](O)C(=O)[O-]	ZINC000575701143	387405074	/nfs/dbraw/zinc/40/50/74/387405074.db2.gz	JKXLVYNTGUUCAM-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1c(F)cc(O)cc1[S-]	ZINC000575705744	387410797	/nfs/dbraw/zinc/41/07/97/387410797.db2.gz	MEKFZLRLFMBUBK-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])/C=C/c1cc(O)c(F)c([S-])c1	ZINC000575706211	387410872	/nfs/dbraw/zinc/41/08/72/387410872.db2.gz	TUXGQSRWHJVINL-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
CCc1cc(C#N)c([C@@H](O)C(=O)[O-])cc1[S-]	ZINC000575643713	387869892	/nfs/dbraw/zinc/86/98/92/387869892.db2.gz	BNOTYNZIQPNGDV-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc([S-])c(C(=O)[O-])cc1C#N	ZINC000575644864	387877823	/nfs/dbraw/zinc/87/78/23/387877823.db2.gz	JMHJCSABLKUYFI-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCOc1cc(CC(=O)[O-])c(C#N)cc1[S-]	ZINC000575646255	387879467	/nfs/dbraw/zinc/87/94/67/387879467.db2.gz	MPTQEVVPFPEBHI-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc(C(=O)[O-])c(C#N)cc1[S-]	ZINC000575646764	387882656	/nfs/dbraw/zinc/88/26/56/387882656.db2.gz	OSRWOBHYORYTCX-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
COc1cccc([C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000057955193	175287539	/nfs/dbraw/zinc/28/75/39/175287539.db2.gz	SXMOBPUOJUJLMR-SNVBAGLBSA-N	-2	0	238.239	1.728	10	0		BDAERL
C[C@@H](Sc1cc(C(=O)[O-])ccn1)C(=O)[O-]	ZINC000054917824	176009485	/nfs/dbraw/zinc/00/94/85/176009485.db2.gz	OYNOEVDHRLGDRE-RXMQYKEDSA-N	-2	0	227.241	1.345	10	0		BDAERL
O=C([O-])/C=C(Cl)/C=C(\Cl)C(=O)[O-]	ZINC000013525493	560218670	/nfs/dbraw/zinc/21/86/70/560218670.db2.gz	FHXOPKKNGKBBKG-QEFWFIIXSA-N	-2	0	211.000	1.401	10	0	in-vitro	BDAERL
Cc1cc(=O)n(-c2nc(C)c(C(=O)[O-])s2)[n-]1	ZINC000100115338	178201197	/nfs/dbraw/zinc/20/11/97/178201197.db2.gz	UASNGFFZSARMDN-UHFFFAOYSA-N	-2	0	239.256	1.349	10	0		BDAERL
O=C([O-])c1ccc([S@](=O)[O-])cc1F	ZINC000238673326	537822928	/nfs/dbraw/zinc/82/29/28/537822928.db2.gz	SDRRGEYUJLHSOE-UHFFFAOYSA-N	-2	0	204.178	1.105	10	0		BDAERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1C=O	ZINC000396140453	344615630	/nfs/dbraw/zinc/61/56/30/344615630.db2.gz	YRCGNVIJJIEYFC-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1[S-]	ZINC000396152989	344625197	/nfs/dbraw/zinc/62/51/97/344625197.db2.gz	BBOUHWXIHIMIRE-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
Cc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000675052668	537858982	/nfs/dbraw/zinc/85/89/82/537858982.db2.gz	CIXAZSIKXJYDSB-MRVPVSSYSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000002504917	350079817	/nfs/dbraw/zinc/07/98/17/350079817.db2.gz	SPWWWLCTUNXBRR-DAFODLJHSA-N	-2	0	209.157	1.398	10	0		BDAERL
C[C@@H]1CCC[C@@H]([C@@](O)(CC(=O)[O-])C(=O)[O-])C1	ZINC000725260657	538083345	/nfs/dbraw/zinc/08/33/45/538083345.db2.gz	XIBKCNUKDRNWJC-XLDPMVHQSA-N	-2	0	230.260	1.103	10	0		BDAERL
O=C([O-])c1n[nH]c2cc(Cl)cc(C(=O)[O-])c21	ZINC000014984767	350474153	/nfs/dbraw/zinc/47/41/53/350474153.db2.gz	HZYSSCUIRUFSSR-UHFFFAOYSA-N	-2	0	240.602	1.613	10	0		BDAERL
Cc1cc(C)cc([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000082538882	538110995	/nfs/dbraw/zinc/11/09/95/538110995.db2.gz	QVLMUSLRPZYMDJ-JTQLQIEISA-N	-2	0	222.240	1.946	10	0		BDAERL
Cc1cc([S@](=O)[O-])ccc1OCC(=O)[O-]	ZINC000675061509	538487767	/nfs/dbraw/zinc/48/77/67/538487767.db2.gz	ZWPFQCPLJWTJFQ-UHFFFAOYSA-N	-2	0	230.241	1.039	10	0		BDAERL
O=C([O-])c1cc(Br)c(O)c(CO)c1	ZINC000220685005	358046392	/nfs/dbraw/zinc/04/63/92/358046392.db2.gz	HHKKNJWYYNCSPA-UHFFFAOYSA-N	-2	0	247.044	1.345	10	0		BDAERL
O=C([O-])C(=O)c1cc(Br)ccc1[O-]	ZINC000015922492	368370688	/nfs/dbraw/zinc/37/06/88/368370688.db2.gz	DAEBQOLTIVNKMZ-UHFFFAOYSA-N	-2	0	245.028	1.422	10	0		BDAERL
COc1ccc(C(CC(=O)[O-])CC(=O)[O-])cn1	ZINC000201668255	369396710	/nfs/dbraw/zinc/39/67/10/369396710.db2.gz	MIRUJENWDZDFOC-UHFFFAOYSA-N	-2	0	239.227	1.123	10	0		BDAERL
O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000164442989	372150107	/nfs/dbraw/zinc/15/01/07/372150107.db2.gz	BNSXSFPRQSGCFQ-VIFPVBQESA-N	-2	0	221.212	1.348	10	0		BDAERL
O=C([O-])CNc1cc(C(=O)[O-])ccc1F	ZINC000035075402	182467278	/nfs/dbraw/zinc/46/72/78/182467278.db2.gz	RDPALBJBVQNWSJ-UHFFFAOYSA-N	-2	0	213.164	1.020	10	0		BDAERL
Cc1cc(C)c(CC(=O)[O-])c(C)c1CC(=O)[O-]	ZINC000043214609	384268292	/nfs/dbraw/zinc/26/82/92/384268292.db2.gz	ZJQSBNYDKHVJJJ-UHFFFAOYSA-N	-2	0	236.267	1.866	10	0		BDAERL
CCc1ccc([C@H](O)C(=O)[O-])c(F)c1[S-]	ZINC000575701623	384750082	/nfs/dbraw/zinc/75/00/82/384750082.db2.gz	RQDQZCBLMUVQEY-QMMMGPOBSA-N	-2	0	230.260	1.795	10	0		BDAERL
CSc1cc(O)c(F)cc1CC(=O)[O-]	ZINC000575702454	384763131	/nfs/dbraw/zinc/76/31/31/384763131.db2.gz	FJSLHJJTKNCAAI-UHFFFAOYSA-N	-2	0	216.233	1.880	10	0		BDAERL
O=C([O-])Cc1c(O)cc([S-])cc1F	ZINC000575705549	384793582	/nfs/dbraw/zinc/79/35/82/384793582.db2.gz	KDPVXRYDXRIACG-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])C1(C(=O)[O-])C[C@H]2CCCC[C@H]2C1	ZINC000575602844	387367185	/nfs/dbraw/zinc/36/71/85/387367185.db2.gz	YBIFBICLQIKBOF-OCAPTIKFSA-N	-2	0	212.245	1.742	10	0		BDAERL
CCOc1c(C#N)cc([S-])cc1CC(=O)[O-]	ZINC000575647359	387882027	/nfs/dbraw/zinc/88/20/27/387882027.db2.gz	PVXVRCXDTLQPSS-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCOc1cc(C#N)cc([S-])c1C(=O)[O-]	ZINC000575647848	387883420	/nfs/dbraw/zinc/88/34/20/387883420.db2.gz	TYMPTDGCRRQDNL-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1c([S-])cc(C#N)cc1[C@@H](O)C(=O)[O-]	ZINC000575648756	387885266	/nfs/dbraw/zinc/88/52/66/387885266.db2.gz	XUBIGOILBFMAKY-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
CC(C)(C(=O)[O-])c1nc(C(=O)[O-])cs1	ZINC000057903595	166514401	/nfs/dbraw/zinc/51/44/01/166514401.db2.gz	PHLPMURZVKGPOR-UHFFFAOYSA-N	-2	0	215.230	1.204	10	0		BDAERL
COc1c(C(=O)[O-])ccc(C(=O)[O-])c1OC	ZINC000000337776	174919449	/nfs/dbraw/zinc/91/94/49/174919449.db2.gz	XMYYGLMNSFSAPF-UHFFFAOYSA-N	-2	0	226.184	1.100	10	0		BDAERL
COc1ccc(C(=O)[O-])cc1O[C@@H](C)C(=O)[O-]	ZINC000034409481	175064421	/nfs/dbraw/zinc/06/44/21/175064421.db2.gz	IPYRVBLQQGRLNY-LURJTMIESA-N	-2	0	240.211	1.245	10	0		BDAERL
C[C@@H](SCc1ccc(C(=O)[O-])o1)C(=O)[O-]	ZINC000036970516	176009080	/nfs/dbraw/zinc/00/90/80/176009080.db2.gz	WJMPDSPDZPJLQK-RXMQYKEDSA-N	-2	0	230.241	1.684	10	0		BDAERL
O=C([O-])C(CC1CCCCC1)C(=O)[O-]	ZINC000000156783	560177474	/nfs/dbraw/zinc/17/74/74/560177474.db2.gz	PYKSXWASTAWCSS-UHFFFAOYSA-N	-2	0	200.234	1.742	10	0	in-vitro	BDAERL
Cc1ccc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)[O-])cc1	ZINC000005165941	342759452	/nfs/dbraw/zinc/75/94/52/342759452.db2.gz	XPZZWGCWZIXAAQ-MWLCHTKSSA-N	-2	0	236.267	1.959	10	0		BDAERL
O=C([O-])c1cc(S(=O)(=O)[O-])ccc1Cl	ZINC000002562561	342786540	/nfs/dbraw/zinc/78/65/40/342786540.db2.gz	LSLIPOCUJFXUNM-UHFFFAOYSA-N	-2	0	236.632	1.285	10	0		BDAERL
Cc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1	ZINC000057952155	539013585	/nfs/dbraw/zinc/01/35/85/539013585.db2.gz	RDFIKKUIUKTHLE-SNVBAGLBSA-N	-2	0	222.240	1.946	10	0		BDAERL
Cc1ccc2nc(C(=O)[O-])c(C(=O)[O-])cc2c1	ZINC000032099587	343229602	/nfs/dbraw/zinc/22/96/02/343229602.db2.gz	BODWUZRENXUAST-UHFFFAOYSA-N	-2	0	231.207	1.940	10	0		BDAERL
COc1cc(CC(=O)[O-])cc(C#N)c1[S-]	ZINC000396138194	344614217	/nfs/dbraw/zinc/61/42/17/344614217.db2.gz	QUVSDBCKOHWNFS-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
COc1c([S-])ccc(C#N)c1CC(=O)[O-]	ZINC000396139215	344614541	/nfs/dbraw/zinc/61/45/41/344614541.db2.gz	UEUZKJKVPSOFKU-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1[S-]	ZINC000396139154	344614557	/nfs/dbraw/zinc/61/45/57/344614557.db2.gz	SXVFMCWCFAUOEP-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1[S-]	ZINC000396140512	344615648	/nfs/dbraw/zinc/61/56/48/344615648.db2.gz	ZAHGAZXPSAUZOF-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
Cc1ccccc1CC(C)(C(=O)[O-])C(=O)[O-]	ZINC000057514692	179260564	/nfs/dbraw/zinc/26/05/64/179260564.db2.gz	JPCBIIIKEKZVIW-UHFFFAOYSA-N	-2	0	222.240	1.713	10	0		BDAERL
CC1(C)O[C@@](C)(C(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000001653452	187814514	/nfs/dbraw/zinc/81/45/14/187814514.db2.gz	KTSCHRREMZDLIP-LHLIQPBNSA-N	-2	0	216.233	1.120	10	0		BDAERL
O=C([O-])c1cc(C(F)(F)F)nc2cc(=O)[n-]n21	ZINC000675067351	538493775	/nfs/dbraw/zinc/49/37/75/538493775.db2.gz	ATKSMTGUPPUGQC-UHFFFAOYSA-N	-2	0	247.132	1.152	10	0		BDAERL
O=C([O-])[C@H](O)c1cc(Cl)c([O-])c(Cl)c1	ZINC000138517749	360782723	/nfs/dbraw/zinc/78/27/23/360782723.db2.gz	VRBWLJOQTLYNPI-ZCFIWIBFSA-N	-2	0	237.038	1.817	10	0		BDAERL
O=C([O-])C[C@@](O)(C(=O)[O-])C1CCCCCC1	ZINC000725260163	541334520	/nfs/dbraw/zinc/33/45/20/541334520.db2.gz	OJRVEFHZKGLMKI-NSHDSACASA-N	-2	0	230.260	1.247	10	0		BDAERL
O=C([O-])C[C@](O)(C(=O)[O-])C1CCCCCC1	ZINC000725260161	541334621	/nfs/dbraw/zinc/33/46/21/541334621.db2.gz	OJRVEFHZKGLMKI-LLVKDONJSA-N	-2	0	230.260	1.247	10	0		BDAERL
O=C([O-])c1cc(C2CSC2)c(C(=O)[O-])s1	ZINC000675057364	541463062	/nfs/dbraw/zinc/46/30/62/541463062.db2.gz	COUAUXJUFGJEIO-UHFFFAOYSA-N	-2	0	244.293	1.975	10	0		BDAERL
O=c1nc(-c2ccc([O-])c(Cl)c2)[n-]o1	ZINC000306499198	372026172	/nfs/dbraw/zinc/02/61/72/372026172.db2.gz	IGYNELRBVSFTNJ-UHFFFAOYSA-N	-2	0	212.592	1.389	10	0		BDAERL
O=C([O-])/C=C/c1cccc(/C=C\C(=O)[O-])c1	ZINC000006191548	182415491	/nfs/dbraw/zinc/41/54/91/182415491.db2.gz	KRXUBZPHAPGHPE-XGXWUAJZSA-N	-2	0	218.208	1.882	10	0		BDAERL
O=C([O-])CCC(=O)c1ccccc1C(=O)[O-]	ZINC000000901470	182434493	/nfs/dbraw/zinc/43/44/93/182434493.db2.gz	YIVWQNVQRXFZJB-UHFFFAOYSA-N	-2	0	222.196	1.432	10	0	endogenous,in-vivo	BDAERL
CCc1c(C#N)ccc([C@H](O)C(=O)[O-])c1[S-]	ZINC000575644972	383821793	/nfs/dbraw/zinc/82/17/93/383821793.db2.gz	KQKCZXGPTWQAHP-VIFPVBQESA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])cc([C@H](O)C(=O)[O-])c1C#N	ZINC000575645614	384090593	/nfs/dbraw/zinc/09/05/93/384090593.db2.gz	LWOOMYNYEPMMMM-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])c1cncc(Cl)c1C(=O)[O-]	ZINC000091301693	384115052	/nfs/dbraw/zinc/11/50/52/384115052.db2.gz	ZUGJYIOPGDYHRX-UHFFFAOYSA-N	-2	0	201.565	1.131	10	0		BDAERL
CCc1c(N)ccc(P(=O)([O-])[O-])c1CC	ZINC000095080473	384359330	/nfs/dbraw/zinc/35/93/30/384359330.db2.gz	VIAYYAONRCRYIA-UHFFFAOYSA-N	-2	0	229.216	1.197	10	0		BDAERL
O=C([O-])[C@H]1[C@H]2CC[C@H](CCC2)[C@@H]1C(=O)[O-]	ZINC000013464347	384360052	/nfs/dbraw/zinc/36/00/52/384360052.db2.gz	PXKSVNOELLJRND-KZVJFYERSA-N	-2	0	212.245	1.598	10	0		BDAERL
O=Cc1cc(C(=O)[O-])cc(C(F)F)c1O	ZINC000575670292	384458014	/nfs/dbraw/zinc/45/80/14/384458014.db2.gz	ZFGKRERTRCGXPJ-UHFFFAOYSA-N	-2	0	216.139	1.841	10	0		BDAERL
O=C([O-])Cc1cc(F)c(CO)cc1[S-]	ZINC000575705797	384800759	/nfs/dbraw/zinc/80/07/59/384800759.db2.gz	NPSXWNOEKBFFCA-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCc1ccc([S-])c([C@@H](O)C(=O)[O-])c1F	ZINC000575701072	387405158	/nfs/dbraw/zinc/40/51/58/387405158.db2.gz	HWJNNJOQMBHPFH-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1ccc([S-])c([C@H](O)C(=O)[O-])c1F	ZINC000575701075	387405782	/nfs/dbraw/zinc/40/57/82/387405782.db2.gz	HWJNNJOQMBHPFH-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1cc([S-])cc(F)c1CO	ZINC000575706553	387410675	/nfs/dbraw/zinc/41/06/75/387410675.db2.gz	ZRXULZAVUZRNEH-UHFFFAOYSA-N	-2	0	216.233	1.234	10	0		BDAERL
CCOc1cc(C#N)c([S-])c(C(=O)[O-])c1	ZINC000575646325	387878866	/nfs/dbraw/zinc/87/88/66/387878866.db2.gz	NETUPMUPEGPNCZ-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CC(C)Nc1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000033494589	167144854	/nfs/dbraw/zinc/14/48/54/167144854.db2.gz	RLJXESPHSODEMS-UHFFFAOYSA-N	-2	0	223.228	1.903	10	0		BDAERL
COc1ccccc1/C=C(/CC(=O)[O-])C(=O)[O-]	ZINC000067175648	175313546	/nfs/dbraw/zinc/31/35/46/175313546.db2.gz	UNGXMTYKICNNSC-TWGQIWQCSA-N	-2	0	236.223	1.638	10	0		BDAERL
C[C@H]1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C[C@@H]1C	ZINC000004321965	177309472	/nfs/dbraw/zinc/30/94/72/177309472.db2.gz	NSVFQYRNBOFQMT-RULNZFCNSA-N	-2	0	200.234	1.454	10	0		BDAERL
Cc1cc([S@](=O)[O-])cc(C(=O)[O-])c1F	ZINC000306536142	582653247	/nfs/dbraw/zinc/65/32/47/582653247.db2.gz	MPXOOQRBXNYHDQ-UHFFFAOYSA-N	-2	0	218.205	1.413	10	0		BDAERL
C[C@@H](n1[n-]cc(CC(=O)[O-])c1=O)C(C)(C)C	ZINC000702796088	977125761	/nfs/dbraw/zinc/12/57/61/977125761.db2.gz	KNDZGSLHQOEBQC-HTQZYQBOSA-N	-2	0	226.276	1.340	10	0		BDAERL
N#Cc1ccc(C=O)c(CC(=O)[O-])c1[S-]	ZINC000396138159	344614189	/nfs/dbraw/zinc/61/41/89/344614189.db2.gz	QKPBUKJSKGBWDE-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
CCCNc1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000033494570	344796942	/nfs/dbraw/zinc/79/69/42/344796942.db2.gz	GSQSSTCUGNLQIC-UHFFFAOYSA-N	-2	0	223.228	1.905	10	0		BDAERL
Cc1ccccc1[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000259695074	538826984	/nfs/dbraw/zinc/82/69/84/538826984.db2.gz	VRJZEWBYOZADQG-LBPRGKRZSA-N	-2	0	222.240	1.812	10	0		BDAERL
O=C([O-])c1sc(Cl)cc1[S@@](=O)[O-]	ZINC000138442224	360705078	/nfs/dbraw/zinc/70/50/78/360705078.db2.gz	BHNLEKOHMPGJAH-UHFFFAOYSA-N	-2	0	226.662	1.680	10	0		BDAERL
O=C([O-])c1cc(Cl)cc([S@](=O)[O-])c1	ZINC000143591940	541508925	/nfs/dbraw/zinc/50/89/25/541508925.db2.gz	LCTAGQYYEBYJOU-UHFFFAOYSA-N	-2	0	220.633	1.619	10	0		BDAERL
O=C([O-])c1cc(F)cc(F)c1C(=O)[O-]	ZINC000141763023	373028212	/nfs/dbraw/zinc/02/82/12/373028212.db2.gz	IGWLEJKRPIAZEA-UHFFFAOYSA-N	-2	0	202.112	1.361	10	0		BDAERL
O=C([O-])c1ccc(OC2CC2)c(C(=O)[O-])n1	ZINC000095735084	182571041	/nfs/dbraw/zinc/57/10/41/182571041.db2.gz	UVHZYFZCYASSIX-UHFFFAOYSA-N	-2	0	223.184	1.019	10	0		BDAERL
CCOc1c([S-])cc(C#N)cc1CC(=O)[O-]	ZINC000575649316	383961080	/nfs/dbraw/zinc/96/10/80/383961080.db2.gz	YOHFDFNVBFAHSY-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
C[C@H]1[C@@H](C(=O)[O-])C[C@H](C(=O)[O-])C1(C)C	ZINC000003995849	384037105	/nfs/dbraw/zinc/03/71/05/384037105.db2.gz	VWSICSGXUBUSMN-LYFYHCNISA-N	-2	0	200.234	1.454	10	0		BDAERL
CCc1cc(F)c([S-])cc1[C@@H](O)C(=O)[O-]	ZINC000575701687	384749485	/nfs/dbraw/zinc/74/94/85/384749485.db2.gz	VNDPTGVDTHZTTB-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
CCc1c([S-])ccc(F)c1[C@H](O)C(=O)[O-]	ZINC000575701646	384749984	/nfs/dbraw/zinc/74/99/84/384749984.db2.gz	SNNZAOPYILYXFX-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
CSc1cc(F)cc(O)c1[C@@H](O)C(=O)[O-]	ZINC000575702619	384760339	/nfs/dbraw/zinc/76/03/39/384760339.db2.gz	FSAVVIDKQCUIQV-MRVPVSSYSA-N	-2	0	232.232	1.371	10	0		BDAERL
O=C([O-])/C=C/c1cc(O)c(F)cc1[S-]	ZINC000575706388	384800452	/nfs/dbraw/zinc/80/04/52/384800452.db2.gz	VGNRDCQREBIBBM-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])c1cc([S-])cc(OC(F)F)c1O	ZINC000575661337	387060705	/nfs/dbraw/zinc/06/07/05/387060705.db2.gz	FLZLBUHPKFIJKA-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])/C=C/c1cc(F)cc(O)c1[S-]	ZINC000575705545	387410912	/nfs/dbraw/zinc/41/09/12/387410912.db2.gz	KAQRZVHEWRLQMI-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
Cc1nc2nc(C(=O)[O-])cc-2c(Cl)[n-]1	ZINC000575624200	387816812	/nfs/dbraw/zinc/81/68/12/387816812.db2.gz	QSVHCTKHQNPFPW-UHFFFAOYSA-N	-2	0	211.608	1.618	10	0		BDAERL
CCOc1cc(C(=O)[O-])cc([S-])c1C#N	ZINC000575646199	387879169	/nfs/dbraw/zinc/87/91/69/387879169.db2.gz	MFWUQQYVTNWMAF-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CSc1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC000075621363	388575000	/nfs/dbraw/zinc/57/50/00/388575000.db2.gz	MRLUEHWPPIRUBJ-UHFFFAOYSA-N	-2	0	212.226	1.805	10	0		BDAERL
Cc1[n-]n(C(C)C)c(=O)c1CCC(=O)[O-]	ZINC000104319443	168133970	/nfs/dbraw/zinc/13/39/70/168133970.db2.gz	ONWLQOWTOXCSLB-QMMMGPOBSA-N	-2	0	212.249	1.094	10	0		BDAERL
CSC1=CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000062721588	175455640	/nfs/dbraw/zinc/45/56/40/175455640.db2.gz	KOHKJUYGWPIZFV-BQBZGAKWSA-N	-2	0	216.258	1.429	10	0		BDAERL
C[C@H](SCc1ccc(C(=O)[O-])o1)C(=O)[O-]	ZINC000036970514	177027545	/nfs/dbraw/zinc/02/75/45/177027545.db2.gz	WJMPDSPDZPJLQK-YFKPBYRVSA-N	-2	0	230.241	1.684	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(F)cc1F	ZINC000082541931	566409945	/nfs/dbraw/zinc/40/99/45/566409945.db2.gz	OFLCPOMSKLVYQP-SSDOTTSWSA-N	-2	0	230.166	1.608	10	0		BDAERL
O=P([O-])([O-])Oc1cccc2cccnc21	ZINC000006095029	398280954	/nfs/dbraw/zinc/28/09/54/398280954.db2.gz	ZECSTTAOTMSGAM-UHFFFAOYSA-N	-2	0	225.140	1.706	10	0		BDAERL
Cc1ccc(C)c([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000057952149	539013509	/nfs/dbraw/zinc/01/35/09/539013509.db2.gz	MYJDFYUMHGMXHX-SNVBAGLBSA-N	-2	0	222.240	1.946	10	0		BDAERL
CCNc1cccc(C(=O)[O-])c1C(=O)[O-]	ZINC000039087129	343382092	/nfs/dbraw/zinc/38/20/92/343382092.db2.gz	GHVJJEYPCFLKQD-UHFFFAOYSA-N	-2	0	209.201	1.515	10	0		BDAERL
O=C([O-])C(F)(Cc1ccccc1)C(=O)[O-]	ZINC000141663582	343788605	/nfs/dbraw/zinc/78/86/05/343788605.db2.gz	BBHFAELPFFLSJN-UHFFFAOYSA-N	-2	0	212.176	1.107	10	0		BDAERL
CSc1ccc(P(=O)([O-])[O-])cc1	ZINC000021986996	343851846	/nfs/dbraw/zinc/85/18/46/343851846.db2.gz	NEQRNXTVPVGOQR-UHFFFAOYSA-N	-2	0	204.187	1.212	10	0		BDAERL
N#Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1[S-]	ZINC000396152117	344624654	/nfs/dbraw/zinc/62/46/54/344624654.db2.gz	MPHGRDOPGAFNAK-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
CC1(C)C[C@](C)(CC(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000238252431	344999763	/nfs/dbraw/zinc/99/97/63/344999763.db2.gz	WJWNPTTZQTWACF-XCBNKYQSSA-N	-2	0	200.234	1.598	10	0		BDAERL
Cc1cccc(CC(C)(C(=O)[O-])C(=O)[O-])c1	ZINC000057514694	179052796	/nfs/dbraw/zinc/05/27/96/179052796.db2.gz	GXGQSZARDCSZAP-UHFFFAOYSA-N	-2	0	222.240	1.713	10	0		BDAERL
C[C@@H](Nc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000039087126	346731914	/nfs/dbraw/zinc/73/19/14/346731914.db2.gz	RZAPRBYXMPEHOJ-ZCFIWIBFSA-N	-2	0	209.201	1.270	10	0		BDAERL
O=C([O-])c1ccc2c(c1)CC[C@@H](C(=O)[O-])C2	ZINC000034017303	350252437	/nfs/dbraw/zinc/25/24/37/350252437.db2.gz	HHHUSZQACRFSEE-SNVBAGLBSA-N	-2	0	220.224	1.574	10	0		BDAERL
CCCC[C@H](C)[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260659	538084421	/nfs/dbraw/zinc/08/44/21/538084421.db2.gz	XILHJABFXBPVMV-OIBJUYFYSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])C(Cc1ccccc1Cl)C(=O)[O-]	ZINC000002505298	187756575	/nfs/dbraw/zinc/75/65/75/187756575.db2.gz	KSQGBHMXXFRHQI-UHFFFAOYSA-N	-2	0	228.631	1.668	10	0		BDAERL
Cc1cc(S(=O)(=O)[O-])sc1C(=O)[O-]	ZINC000404965319	352646553	/nfs/dbraw/zinc/64/65/53/352646553.db2.gz	ICMJAIQZUTWSBH-UHFFFAOYSA-N	-2	0	222.243	1.001	10	0		BDAERL
CC1(C)O[C@@](C)(C(=O)[O-])CC[C@H]1C(=O)[O-]	ZINC000001653454	188517573	/nfs/dbraw/zinc/51/75/73/188517573.db2.gz	KTSCHRREMZDLIP-QUBYGPBYSA-N	-2	0	216.233	1.120	10	0		BDAERL
O=C([O-])C[C@@H](C(=O)[O-])c1cc(F)cc(F)c1	ZINC000675055647	538476523	/nfs/dbraw/zinc/47/65/23/538476523.db2.gz	WBIKUYDEWRWFBJ-MRVPVSSYSA-N	-2	0	230.166	1.608	10	0		BDAERL
O=C([O-])c1cc(Cl)nc(C(=O)[O-])c1	ZINC000231518175	372047612	/nfs/dbraw/zinc/04/76/12/372047612.db2.gz	FWBPRDQCCCWGPQ-UHFFFAOYSA-N	-2	0	201.565	1.131	10	0		BDAERL
O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000164443099	372149829	/nfs/dbraw/zinc/14/98/29/372149829.db2.gz	BNSXSFPRQSGCFQ-SECBINFHSA-N	-2	0	221.212	1.348	10	0		BDAERL
O=C([O-])/C=C\c1c[nH]c2c1cccc2C(=O)[O-]	ZINC000215906978	182415430	/nfs/dbraw/zinc/41/54/30/182415430.db2.gz	HZEFRRTZYAJMLU-PLNGDYQASA-N	-2	0	231.207	1.964	10	0		BDAERL
O=C([O-])C([S-])=C1C(=O)Nc2ccccc21	ZINC000100054272	182408756	/nfs/dbraw/zinc/40/87/56/182408756.db2.gz	DTETVMWTCBRHFO-FPLPWBNLSA-N	-2	0	221.237	1.364	10	0		BDAERL
CCc1c(F)cc([C@H](O)C(=O)[O-])cc1[S-]	ZINC000575701467	384750210	/nfs/dbraw/zinc/75/02/10/384750210.db2.gz	PNLGZGYCGCMWGT-VIFPVBQESA-N	-2	0	230.260	1.795	10	0		BDAERL
CC(C)[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C(C)C	ZINC000062720748	385185197	/nfs/dbraw/zinc/18/51/97/385185197.db2.gz	HSCLUIKEZDGKBP-OCAPTIKFSA-N	-2	0	202.250	1.700	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])c([S-])cc1F	ZINC000575701630	387405456	/nfs/dbraw/zinc/40/54/56/387405456.db2.gz	RXNBXQPAPNFMAA-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])/C=C/c1c(O)cc(F)cc1[S-]	ZINC000575704812	387409107	/nfs/dbraw/zinc/40/91/07/387409107.db2.gz	BYRQCOJQFLXKNE-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])CN(CC(=O)[O-])c1cccc(Cl)c1	ZINC000057534368	387504980	/nfs/dbraw/zinc/50/49/80/387504980.db2.gz	IWFBOZWDQWDDLK-UHFFFAOYSA-N	-2	0	243.646	1.316	10	0		BDAERL
CCc1cc([C@@H](O)C(=O)[O-])cc([S-])c1C#N	ZINC000575644652	387876920	/nfs/dbraw/zinc/87/69/20/387876920.db2.gz	IDMLBULLBIKYCA-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
Cc1c([O-])nc2c(Br)c[n-]n2c1=O	ZINC000071474547	388442904	/nfs/dbraw/zinc/44/29/04/388442904.db2.gz	HXEINOYKDQJBFI-UHFFFAOYSA-N	-2	0	244.048	1.211	10	0		BDAERL
CCn1c(C)nc2cc(C(=O)[O-])c(C(=O)[O-])cc21	ZINC000004116376	172137274	/nfs/dbraw/zinc/13/72/74/172137274.db2.gz	RBLGEPJHBKHFQN-UHFFFAOYSA-N	-2	0	248.238	1.761	10	0		BDAERL
C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000100778219	571827218	/nfs/dbraw/zinc/82/72/18/571827218.db2.gz	OIFCPZGZZQQDNO-NGJRWZKOSA-N	-2	0	200.234	1.454	10	0	endogenous,in-man	BDAERL
CCOC(=O)CCCCCC(C(=O)[O-])C(=O)[O-]	ZINC000166228912	343565273	/nfs/dbraw/zinc/56/52/73/343565273.db2.gz	KBTOZUHMPOHMLQ-UHFFFAOYSA-N	-2	0	246.259	1.285	10	0		BDAERL
N#Cc1ccc([S-])c([N+](=O)[O-])c1CC(=O)[O-]	ZINC000396136163	344613019	/nfs/dbraw/zinc/61/30/19/344613019.db2.gz	KOJTVUHCEZJDJM-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(CC(=O)[O-])c([S-])c([N+](=O)[O-])c1	ZINC000396136210	344613434	/nfs/dbraw/zinc/61/34/34/344613434.db2.gz	KZRXMDUYLYWIBP-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([S-])c([N+](=O)[O-])c(CC(=O)[O-])c1	ZINC000396139198	344614609	/nfs/dbraw/zinc/61/46/09/344614609.db2.gz	TZGQPLATQKTRNV-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1[S-]	ZINC000396155984	344627457	/nfs/dbraw/zinc/62/74/57/344627457.db2.gz	RNOGCDLFPCILMX-UHFFFAOYSA-N	-2	0	224.197	1.453	10	0		BDAERL
O=C([O-])c1cc(C(=O)[O-])c2cc(F)ccc2n1	ZINC000140917304	345858748	/nfs/dbraw/zinc/85/87/48/345858748.db2.gz	PECRASCUCPOANX-UHFFFAOYSA-N	-2	0	235.170	1.770	10	0		BDAERL
C[C@@H]1CCC[C@H]([C@@](O)(CC(=O)[O-])C(=O)[O-])C1	ZINC000725260654	538083941	/nfs/dbraw/zinc/08/39/41/538083941.db2.gz	XIBKCNUKDRNWJC-FYBVGQRMSA-N	-2	0	230.260	1.103	10	0		BDAERL
O=C([O-])[C@@H](O)c1ccc([O-])c(Cl)c1Cl	ZINC000307272951	351824879	/nfs/dbraw/zinc/82/48/79/351824879.db2.gz	HALCRERWNPOHPX-ZETCQYMHSA-N	-2	0	237.038	1.817	10	0		BDAERL
Cc1[n-]n(C(C)(C)C)c(=O)c1CC(=O)[O-]	ZINC000034972635	188466852	/nfs/dbraw/zinc/46/68/52/188466852.db2.gz	NUIORLMWAXFUJL-ZETCQYMHSA-N	-2	0	212.249	1.094	10	0		BDAERL
Cc1sc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675061220	538486596	/nfs/dbraw/zinc/48/65/96/538486596.db2.gz	RJNQUQXTFMXRRD-UHFFFAOYSA-N	-2	0	206.244	1.335	10	0		BDAERL
COc1ccc(-c2nc([O-])c(F)c(=O)[n-]2)nc1	ZINC000584634271	358318224	/nfs/dbraw/zinc/31/82/24/358318224.db2.gz	NANLABGGYFDBBV-UHFFFAOYSA-N	-2	0	237.190	1.098	10	0		BDAERL
Cc1cccc(-n2[nH]cc(CC(=O)[O-])c2=O)c1	ZINC000213941143	368397487	/nfs/dbraw/zinc/39/74/87/368397487.db2.gz	KBCBPFJCVMRDGI-UHFFFAOYSA-N	-2	0	232.239	1.101	10	0		BDAERL
Cc1c2ccccc2nc(C(=O)[O-])c1C(=O)[O-]	ZINC000115698836	369005871	/nfs/dbraw/zinc/00/58/71/369005871.db2.gz	PTNUHTXUKUEJIJ-UHFFFAOYSA-N	-2	0	231.207	1.940	10	0		BDAERL
O=C([O-])c1ccnc(C(=O)[O-])c1OC1CC1	ZINC000095735188	182584934	/nfs/dbraw/zinc/58/49/34/182584934.db2.gz	XBMNRIKNWRZWCC-UHFFFAOYSA-N	-2	0	223.184	1.019	10	0		BDAERL
O=c1[n-]c(-c2ccccc2)nc([O-])c1Cl	ZINC000016886468	183008483	/nfs/dbraw/zinc/00/84/83/183008483.db2.gz	DPGFZLFJGRGNIK-UHFFFAOYSA-N	-2	0	222.631	1.796	10	0		BDAERL
CCOc1c([S-])cc(CC(=O)[O-])cc1C#N	ZINC000575648866	383930268	/nfs/dbraw/zinc/93/02/68/383930268.db2.gz	VKCVKFWHYNZLBW-UHFFFAOYSA-N	-2	0	237.280	1.873	10	0		BDAERL
CCc1cc([S-])cc([C@@H](O)C(=O)[O-])c1C#N	ZINC000575645623	384091439	/nfs/dbraw/zinc/09/14/39/384091439.db2.gz	LWOOMYNYEPMMMM-SNVBAGLBSA-N	-2	0	237.280	1.527	10	0		BDAERL
O=C([O-])[C@@H](O)c1ccc(O)c(C(F)(F)F)c1	ZINC000258286593	384554905	/nfs/dbraw/zinc/55/49/05/384554905.db2.gz	QBKRZCBJZHHCJX-ZETCQYMHSA-N	-2	0	236.145	1.529	10	0		BDAERL
O=C([O-])CCCC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000083250300	384755400	/nfs/dbraw/zinc/75/54/00/384755400.db2.gz	NVJUXUFOLVMFQV-UHFFFAOYSA-N	-2	0	225.200	1.151	10	0		BDAERL
O=C([O-])Cc1cc([S-])c(F)cc1O	ZINC000575704539	384787115	/nfs/dbraw/zinc/78/71/15/384787115.db2.gz	ASQQVCKWHPCRJD-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])Cc1cc(F)cc(O)c1[S-]	ZINC000575705018	384791705	/nfs/dbraw/zinc/79/17/05/384791705.db2.gz	DXVHGJDEYNDTLY-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
O=C([O-])Cc1c(O)cc(F)cc1OC(F)F	ZINC000575660247	387053870	/nfs/dbraw/zinc/05/38/70/387053870.db2.gz	WPMDRQSKYGGWNU-UHFFFAOYSA-N	-2	0	236.145	1.760	10	0		BDAERL
O=C([O-])c1cc(O)c(OC(F)F)cc1[S-]	ZINC000575661864	387104187	/nfs/dbraw/zinc/10/41/87/387104187.db2.gz	NSCMHPWVSVCZOF-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])/C=C/c1cc(O)c([S-])c(F)c1	ZINC000575706405	387410343	/nfs/dbraw/zinc/41/03/43/387410343.db2.gz	VHNAPZLPBRJLNX-OWOJBTEDSA-N	-2	0	214.217	1.918	10	0		BDAERL
O=C([O-])Cc1c(O)ccc([S-])c1F	ZINC000575705869	387410377	/nfs/dbraw/zinc/41/03/77/387410377.db2.gz	PRIUOTJZVPXNLJ-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCOc1c(C#N)ccc(C(=O)[O-])c1[S-]	ZINC000575643855	387869445	/nfs/dbraw/zinc/86/94/45/387869445.db2.gz	CQKBLUYWNRKSSC-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1oc(C(=O)[O-])c(C(=O)[O-])c1CC	ZINC000095934053	172111736	/nfs/dbraw/zinc/11/17/36/172111736.db2.gz	PIXJSJXGVKBOKW-UHFFFAOYSA-N	-2	0	212.201	1.801	10	0		BDAERL
O=C([O-])C(O)=CC(=O)c1cccc(O)c1	ZINC000379702115	343600206	/nfs/dbraw/zinc/60/02/06/343600206.db2.gz	WWHSBYDKAHIVPP-UITAMQMPSA-N	-2	0	208.169	1.101	10	0		BDAERL
Cc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000675052670	537859625	/nfs/dbraw/zinc/85/96/25/537859625.db2.gz	CIXAZSIKXJYDSB-QMMMGPOBSA-N	-2	0	226.203	1.777	10	0		BDAERL
O=C([O-])c1cc2c(C(=O)[O-])n[nH]c2s1	ZINC000685950499	538894086	/nfs/dbraw/zinc/89/40/86/538894086.db2.gz	RVWFTUGGBUNZCK-UHFFFAOYSA-N	-2	0	212.186	1.021	10	0		BDAERL
Cc1cc([S@](=O)[O-])ccc1OCCC(=O)[O-]	ZINC000675060700	541464049	/nfs/dbraw/zinc/46/40/49/541464049.db2.gz	HHPDECJQONTTSG-UHFFFAOYSA-N	-2	0	244.268	1.429	10	0		BDAERL
O=C([O-])Cc1c[nH]c2c1cccc2C(=O)[O-]	ZINC000005344554	182488172	/nfs/dbraw/zinc/48/81/72/182488172.db2.gz	SBDKHBLFNDNALG-UHFFFAOYSA-N	-2	0	219.196	1.493	10	0		BDAERL
O=C([O-])c1cc2cccc(C(=O)[O-])c2[nH]1	ZINC000006094425	182560092	/nfs/dbraw/zinc/56/00/92/182560092.db2.gz	GPZDWQUDHYWQBS-UHFFFAOYSA-N	-2	0	205.169	1.564	10	0		BDAERL
O=C([O-])[C@@H]1[C@@H]2C[C@@H](c3ccccc32)[C@@H]1C(=O)[O-]	ZINC000002530982	383970924	/nfs/dbraw/zinc/97/09/24/383970924.db2.gz	FMDJPIDUSFJPFC-DTIDVZRVSA-N	-2	0	232.235	1.673	10	0		BDAERL
CC(C)/C(C(=O)[O-])=C(\C(=O)[O-])C(C)C	ZINC000071621511	384174173	/nfs/dbraw/zinc/17/41/73/384174173.db2.gz	LHLHWDNRHALZNF-BQYQJAHWSA-N	-2	0	200.234	1.764	10	0		BDAERL
O=C([O-])CC(CC(=O)[O-])c1cccc(F)c1	ZINC000071532737	384168432	/nfs/dbraw/zinc/16/84/32/384168432.db2.gz	DEFJCFMRMPIHRW-UHFFFAOYSA-N	-2	0	226.203	1.859	10	0		BDAERL
O=C([O-])[C@H](O)c1ccc(O)c(C(F)(F)F)c1	ZINC000258285013	384555214	/nfs/dbraw/zinc/55/52/14/384555214.db2.gz	QBKRZCBJZHHCJX-SSDOTTSWSA-N	-2	0	236.145	1.529	10	0		BDAERL
Cc1cccc(Nc2nc(O)cc(=O)[nH]2)c1	ZINC000058836365	385027341	/nfs/dbraw/zinc/02/73/41/385027341.db2.gz	BZOBEBWPAPPGOA-UHFFFAOYSA-N	-2	0	217.228	1.650	10	0		BDAERL
O=C([O-])c1cc(O)c([S-])c(OC(F)F)c1	ZINC000575662124	387149563	/nfs/dbraw/zinc/14/95/63/387149563.db2.gz	QZTZSTBMKWITAL-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
CCc1ccc([S-])c(F)c1[C@@H](O)C(=O)[O-]	ZINC000575701605	387404917	/nfs/dbraw/zinc/40/49/17/387404917.db2.gz	RAAUFZKUKAKADL-SECBINFHSA-N	-2	0	230.260	1.795	10	0		BDAERL
O=C([O-])Cc1ccc(F)c(O)c1[S-]	ZINC000575706371	387410644	/nfs/dbraw/zinc/41/06/44/387410644.db2.gz	VCVOQWWFFYAVFA-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCOc1c([S-])cc(C#N)cc1C(=O)[O-]	ZINC000575644493	387872861	/nfs/dbraw/zinc/87/28/61/387872861.db2.gz	GKECZLXDYWMXCS-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CCc1cc([S-])c(C#N)cc1[C@H](O)C(=O)[O-]	ZINC000575644567	387876098	/nfs/dbraw/zinc/87/60/98/387876098.db2.gz	HXXCTOGECCUAKK-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
Cc1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-]	ZINC000006069800	177821545	/nfs/dbraw/zinc/82/15/45/177821545.db2.gz	YMYIEXNGMOGPDH-UHFFFAOYSA-N	-3	0	224.168	1.090	10	0		BDAERL
CCC(=CCC(C(=O)[O-])C(=O)[O-])CC	ZINC000098092116	168196604	/nfs/dbraw/zinc/19/66/04/168196604.db2.gz	KYQFZAHBRXEHIY-UHFFFAOYSA-N	-2	0	200.234	1.908	10	0		BDAERL
COc1ccc([C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000057955196	175178269	/nfs/dbraw/zinc/17/82/69/175178269.db2.gz	XCNGIFWTVLOAJE-SNVBAGLBSA-N	-2	0	238.239	1.728	10	0		BDAERL
COc1ccc2cc(C(=O)[O-])c(C(=O)[O-])nc2c1	ZINC000032099641	175223931	/nfs/dbraw/zinc/22/39/31/175223931.db2.gz	KDUYKRJAIPVUFN-UHFFFAOYSA-N	-2	0	247.206	1.640	10	0		BDAERL
O=C([O-])Cc1ccc(-c2cc(C(=O)[O-])no2)cc1	ZINC000675054374	583929936	/nfs/dbraw/zinc/92/99/36/583929936.db2.gz	VGFDAJRBWXKYSG-UHFFFAOYSA-N	-2	0	247.206	1.667	10	0		BDAERL
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)[O-])C1	ZINC000616612183	349477002	/nfs/dbraw/zinc/47/70/02/349477002.db2.gz	VHPBEYKOLHZCFM-MRVPVSSYSA-N	-2	0	235.239	1.852	10	0		BDAERL
Cc1ccc([C@H](CC(=O)[O-])C(=O)[O-])c(C)c1	ZINC000057952157	539013438	/nfs/dbraw/zinc/01/34/38/539013438.db2.gz	RDFIKKUIUKTHLE-JTQLQIEISA-N	-2	0	222.240	1.946	10	0		BDAERL
CCCCCc1cc(O)[nH]c(=O)c1C(=O)[O-]	ZINC000045803058	343534352	/nfs/dbraw/zinc/53/43/52/343534352.db2.gz	XZEQCGGLWZNOKQ-UHFFFAOYSA-N	-2	0	225.244	1.511	10	0		BDAERL
COc1cc(C#N)c([S-])c(CC(=O)[O-])c1	ZINC000396135474	344612961	/nfs/dbraw/zinc/61/29/61/344612961.db2.gz	ILZWCMJSRCWIHC-UHFFFAOYSA-N	-2	0	223.253	1.483	10	0		BDAERL
N#Cc1cc([N+](=O)[O-])cc(CC(=O)[O-])c1[S-]	ZINC000396137039	344613480	/nfs/dbraw/zinc/61/34/80/344613480.db2.gz	MOUBLNCHTFBZIC-UHFFFAOYSA-N	-2	0	238.224	1.382	10	0		BDAERL
N#Cc1cc([O-])c(C(F)(F)F)c(C(=O)[O-])c1	ZINC000396159603	344633132	/nfs/dbraw/zinc/63/31/32/344633132.db2.gz	WWSCPLFGRATIIU-UHFFFAOYSA-N	-2	0	231.129	1.981	10	0		BDAERL
N#Cc1c(CC(=O)[O-])ccc([S-])c1C=O	ZINC000396167978	344637256	/nfs/dbraw/zinc/63/72/56/344637256.db2.gz	WUIGOYAAIASERE-UHFFFAOYSA-N	-2	0	221.237	1.287	10	0		BDAERL
O=C([O-])c1ccc2c(c1)CC[C@H](C(=O)[O-])C2	ZINC000034017302	346180326	/nfs/dbraw/zinc/18/03/26/346180326.db2.gz	HHHUSZQACRFSEE-JTQLQIEISA-N	-2	0	220.224	1.574	10	0		BDAERL
CCCC(CCC)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260511	538082540	/nfs/dbraw/zinc/08/25/40/538082540.db2.gz	VLJZOAPHJKSBDA-NSHDSACASA-N	-2	0	232.276	1.493	10	0		BDAERL
CCCC[C@@H](C)[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000725260660	538083484	/nfs/dbraw/zinc/08/34/84/538083484.db2.gz	XILHJABFXBPVMV-XCBNKYQSSA-N	-2	0	218.249	1.103	10	0		BDAERL
O=C([O-])[C@@H]1CN(C(=O)[O-])c2ccccc2N1	ZINC000616686489	351256604	/nfs/dbraw/zinc/25/66/04/351256604.db2.gz	NDQGXHLJXNJLDS-ZETCQYMHSA-N	-2	0	222.200	1.050	10	0		BDAERL
O=C([O-])CCOc1ccc([S@](=O)[O-])cc1F	ZINC000675061329	538486720	/nfs/dbraw/zinc/48/67/20/538486720.db2.gz	UCSRMLFGUYWKJC-UHFFFAOYSA-N	-2	0	248.231	1.260	10	0		BDAERL
Cc1ccc([S@](=O)[O-])c(C)c1OCC(=O)[O-]	ZINC000675061279	538486785	/nfs/dbraw/zinc/48/67/85/538486785.db2.gz	SKSXDQDUVZNVQM-UHFFFAOYSA-N	-2	0	244.268	1.347	10	0		BDAERL
O=C([O-])c1cc([S@](=O)[O-])c(F)c(F)c1F	ZINC000675060936	538486884	/nfs/dbraw/zinc/48/68/84/538486884.db2.gz	NZGHSQRUVOBLKZ-UHFFFAOYSA-N	-2	0	240.158	1.383	10	0		BDAERL
CC1(C)CC(=O)C[C@@H](C(C(=O)[O-])C(=O)[O-])C1	ZINC000584621536	358289206	/nfs/dbraw/zinc/28/92/06/358289206.db2.gz	VUIWVMVPXWBRPB-ZCFIWIBFSA-N	-2	0	228.244	1.167	10	0		BDAERL
CCCCCC[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000725273001	541340375	/nfs/dbraw/zinc/34/03/75/541340375.db2.gz	OWJIAECDMCMDNK-YUMQZZPRSA-N	-2	0	218.249	1.103	10	0		BDAERL
C#CCC(Cc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000038313507	368409331	/nfs/dbraw/zinc/40/93/31/368409331.db2.gz	PAZMTDIHXJMXDP-UHFFFAOYSA-N	-2	0	232.235	1.408	10	0		BDAERL
CCSC(C=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000100661393	170624884	/nfs/dbraw/zinc/62/48/84/170624884.db2.gz	NFGBNLNHIGSZOH-CIIODKQPSA-N	-2	0	218.230	1.235	10	0		BDAERL
C[C@H](C(=O)[O-])c1ccc(CC(=O)[O-])cc1	ZINC000115144865	384070601	/nfs/dbraw/zinc/07/06/01/384070601.db2.gz	FSVRPKNRQOOQGI-ZETCQYMHSA-N	-2	0	208.213	1.502	10	0		BDAERL
O=C([O-])CON=c1[n-]c(Cl)cs1	ZINC000135180483	384169313	/nfs/dbraw/zinc/16/93/13/384169313.db2.gz	IKBALBCRCRGKIO-UHFFFAOYSA-N	-2	0	208.626	1.225	10	0		BDAERL
O=C([O-])/C=C\c1ccc(/C=C\C(=O)[O-])s1	ZINC000033380920	385229050	/nfs/dbraw/zinc/22/90/50/385229050.db2.gz	FHZOVGZTZSYHJD-GLIMQPGKSA-N	-2	0	224.237	1.944	10	0		BDAERL
O=C([O-])c1cc(OC(F)F)cc([S-])c1O	ZINC000575661841	387104145	/nfs/dbraw/zinc/10/41/45/387104145.db2.gz	NFBRPQMSNZDFEY-UHFFFAOYSA-N	-2	0	236.195	1.981	10	0		BDAERL
O=C([O-])C1(C(=O)[O-])C[C@H]2CCCC[C@@H]2C1	ZINC000575602842	387367566	/nfs/dbraw/zinc/36/75/66/387367566.db2.gz	YBIFBICLQIKBOF-HTQZYQBOSA-N	-2	0	212.245	1.742	10	0		BDAERL
O=C([O-])Cc1cc([S-])c(O)cc1F	ZINC000575705464	387408354	/nfs/dbraw/zinc/40/83/54/387408354.db2.gz	JDQQSHVBQPDDEA-UHFFFAOYSA-N	-2	0	202.206	1.447	10	0		BDAERL
CCc1cc(C#N)c([C@H](O)C(=O)[O-])cc1[S-]	ZINC000575643695	387869661	/nfs/dbraw/zinc/86/96/61/387869661.db2.gz	BNOTYNZIQPNGDV-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCc1cc([S-])cc(C#N)c1[C@H](O)C(=O)[O-]	ZINC000575648828	387885241	/nfs/dbraw/zinc/88/52/41/387885241.db2.gz	YOJNALGCYPBDFX-JTQLQIEISA-N	-2	0	237.280	1.527	10	0		BDAERL
CCOc1cc([S-])cc(C(=O)[O-])c1C#N	ZINC000575648821	387885837	/nfs/dbraw/zinc/88/58/37/387885837.db2.gz	VATCPMWSQONQEU-UHFFFAOYSA-N	-2	0	223.253	1.944	10	0		BDAERL
CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000001568174	171372919	/nfs/dbraw/zinc/37/29/19/171372919.db2.gz	XPCLFBDSELYLIK-CRCLSJGQSA-N	-2	0	227.182	1.164	10	0		BDAERL
COc1ccc(CCC(=O)[O-])c(C(=O)[O-])c1	ZINC000034591226	175088650	/nfs/dbraw/zinc/08/86/50/175088650.db2.gz	DDZRYKAOGABMSS-UHFFFAOYSA-N	-2	0	224.212	1.411	10	0		BDAERL
C[C@H](Oc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000026506159	177024380	/nfs/dbraw/zinc/02/43/80/177024380.db2.gz	QSXYGBQHRXGPMU-LURJTMIESA-N	-2	0	210.185	1.237	10	0		BDAERL
O=C([O-])/C(Cl)=C\C=C(\Cl)C(=O)[O-]	ZINC000001530684	560181366	/nfs/dbraw/zinc/18/13/66/560181366.db2.gz	HECLTTZJJYETPR-ZPUQHVIOSA-N	-2	0	211.000	1.401	10	0	in-vitro	BDAERL