smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(-n2ccn3c(CC(C)(C)CC(=O)[O-])nnc3c2=O)c1	ZINC000008830861	204346230	/nfs/dbraw/zinc/34/62/30/204346230.db2.gz	OPGGQPSVDSGJPF-UHFFFAOYSA-N	-1	0	354.410	2.540	1	0		FFAFRM
CCCc1c(OCc2ccc(C(=O)[O-])cc2OC)ccc(C(N)=O)c1O	ZINC000027983106	204871086	/nfs/dbraw/zinc/87/10/86/204871086.db2.gz	QONPSDQOVUEIIL-UHFFFAOYSA-N	-1	0	359.378	2.729	1	0		FFAFRM
C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000085589012	571784241	/nfs/dbraw/zinc/78/42/41/571784241.db2.gz	DTMWSKSAMRZGQH-MCTLKSGKSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
O=C([O-])Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1	ZINC000028461666	204882875	/nfs/dbraw/zinc/88/28/75/204882875.db2.gz	LEDWITUFBUQZSF-UHFFFAOYSA-N	-1	0	363.373	2.935	1	0		FFAFRM
CCOc1ccc(CCCC(=O)N2CCC(c3nnn[n-]3)CC2)cc1C	ZINC000055243543	205211098	/nfs/dbraw/zinc/21/10/98/205211098.db2.gz	NGOGXGHYJMEMFQ-UHFFFAOYSA-N	-1	0	357.458	2.636	1	0		FFAFRM
COc1cc(CCC(=O)OC2=C(OC)C[C@@H](/C=C/C(=O)[O-])C=C2)ccc1O	ZINC000070455499	291060945	/nfs/dbraw/zinc/06/09/45/291060945.db2.gz	LYEAOBNLWKEIBD-VZUFXWRPSA-N	-1	0	374.389	2.952	1	0	biogenic,in-vitro	FFAFRM
C[C@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)[O-]	ZINC000001634821	204015363	/nfs/dbraw/zinc/01/53/63/204015363.db2.gz	DSNGQFFZCBJQKE-BQBZGAKWSA-N	-1	0	350.626	2.740	1	0		FFAFRM
CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)CC)C(F)(F)F	ZINC000001856265	204020430	/nfs/dbraw/zinc/02/04/30/204020430.db2.gz	WUWDHQPLLZPRAK-CYBMUJFWSA-N	-1	0	354.275	2.725	1	0		FFAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1conc1-c1ccc(F)cc1	ZINC000045230667	205118417	/nfs/dbraw/zinc/11/84/17/205118417.db2.gz	SMSAFNONAIEXSF-INIZCTEOSA-N	-1	0	354.337	2.906	1	0		FFAFRM
O=C([O-])c1ccc2ccccc2c1CCCn1cnc2c1NC=NC[C@@H]2O	ZINC000013807509	204554338	/nfs/dbraw/zinc/55/43/38/204554338.db2.gz	NSZCHJJJAXDYNF-KRWDZBQOSA-N	-1	0	364.405	2.855	1	0		FFAFRM
CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000013116852	206301331	/nfs/dbraw/zinc/30/13/31/206301331.db2.gz	SFWQJLUQLRSSCF-ABFRBSLYSA-N	-1	0	357.406	2.961	1	0		FFAFRM
O=C([O-])c1ccccc1OC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1	ZINC000029329138	204898805	/nfs/dbraw/zinc/89/88/05/204898805.db2.gz	WOPPQKAKMQEHIV-QGZVFWFLSA-N	-1	0	367.401	2.914	1	0		FFAFRM
Cc1c([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(C)ccc2n1CC(=O)[O-]	ZINC000049036098	205169417	/nfs/dbraw/zinc/16/94/17/205169417.db2.gz	RRSJWWGATDVVSQ-LJQANCHMSA-N	-1	0	370.430	2.724	1	0		FFAFRM
C[C@@H](NC(=O)c1nc2c(cc(C(F)(F)F)cc2C(F)(F)F)[nH]1)C(=O)[O-]	ZINC000066113614	205364194	/nfs/dbraw/zinc/36/41/94/205364194.db2.gz	JTAQLMRPSOWRBB-SCSAIBSYSA-N	-1	0	369.221	2.803	1	0		FFAFRM
COc1cc(=O)c2c([O-])c(OC)c(-c3cc(OC)c(OC)cc3O)oc-2c1	ZINC000014436490	560221381	/nfs/dbraw/zinc/22/13/81/560221381.db2.gz	GNJVUACZJGJODM-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	biogenic,in-vitro	FFAFRM
CC1(C)Oc2ccc(-c3oc4cc([O-])cc(O)c4c(=O)c3O)cc2C[C@H]1O	ZINC000015262018	291057830	/nfs/dbraw/zinc/05/78/30/291057830.db2.gz	UFWHTSBKDGUFOX-OAHLLOKOSA-N	-1	0	370.357	2.651	1	0	endogenous,in-man	FFAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000007551141	204300910	/nfs/dbraw/zinc/30/09/10/204300910.db2.gz	AVCXRRKTQSJLEL-HNNXBMFYSA-N	-1	0	366.801	2.718	3	0		FFAFRM
CCNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000036520240	205015851	/nfs/dbraw/zinc/01/58/51/205015851.db2.gz	QITRQXXSCAOQLZ-INIZCTEOSA-N	-1	0	360.797	2.584	1	0		FFAFRM
O=C(Nc1nccs1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O	ZINC000101162996	205953297	/nfs/dbraw/zinc/95/32/97/205953297.db2.gz	SRVMZAXXKZQODG-UHFFFAOYSA-N	-1	0	364.386	2.800	1	0		FFAFRM
O=C1N[C@@H](c2ccccc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000011859141	206286798	/nfs/dbraw/zinc/28/67/98/206286798.db2.gz	OXRRYKXYECAQSB-TYNCELHUSA-N	-1	0	370.352	2.852	1	0		FFAFRM
O=C(Nc1ccncc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O	ZINC000000598069	219305300	/nfs/dbraw/zinc/30/53/00/219305300.db2.gz	KSVDSNPHTLVWPO-UHFFFAOYSA-N	-1	0	358.357	2.739	1	0		FFAFRM
CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005973273	204232024	/nfs/dbraw/zinc/23/20/24/204232024.db2.gz	KJYIVXDPWBUJBQ-SOGWKEBJSA-N	-1	0	368.470	2.978	1	0	endogenous,in-man	FFAFRM
COc1ccc([N-]S(=O)(=O)c2csc(C(=O)N3CCCC3)c2)cc1	ZINC000006887836	204279759	/nfs/dbraw/zinc/27/97/59/204279759.db2.gz	WLPYAXWQYOGVPV-UHFFFAOYSA-N	-1	0	366.464	2.794	3	0		FFAFRM
O=C(NCCc1ccc(O)cc1)c1c(=O)[nH]c2cc(Cl)ccc2c1[O-]	ZINC000013833635	204556054	/nfs/dbraw/zinc/55/60/54/204556054.db2.gz	UQPWOHIZEBRCGX-UHFFFAOYSA-N	-1	0	358.781	2.565	1	0		FFAFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1	ZINC000035876845	204999840	/nfs/dbraw/zinc/99/98/40/204999840.db2.gz	SFUKQIBDQAEIQC-UHFFFAOYSA-N	-1	0	364.810	2.862	1	0		FFAFRM
C[C@@H]1C[C@@H](O)C/C=C\CCC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000043067142	205098836	/nfs/dbraw/zinc/09/88/36/205098836.db2.gz	NWNWWZXMRPIFBT-UZAOFVRNSA-N	-1	0	368.813	2.899	1	0		FFAFRM
O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000045245952	205118688	/nfs/dbraw/zinc/11/86/88/205118688.db2.gz	UAYPYQFHJWZHQA-CQSZACIVSA-N	-1	0	366.845	2.805	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C\COc2ccc(c(F)c2)C(=O)N1	ZINC000169313228	206250044	/nfs/dbraw/zinc/25/00/44/206250044.db2.gz	CLCYYBNLZMBPBL-LPQSXRFUSA-N	-1	0	371.364	2.579	1	0		FFAFRM
CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000100770154	571813078	/nfs/dbraw/zinc/81/30/78/571813078.db2.gz	AOPOCGPBAIARAV-GCSFPLNZSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
[NH3+][C@](CCc1ccccc1)(C(=O)[O-])[C@H]1[C@H](CCc2ccccc2)[C@@H]1C(=O)[O-]	ZINC000004394177	204137563	/nfs/dbraw/zinc/13/75/63/204137563.db2.gz	WYNOTJGERCNHTF-GHDARCQNSA-N	-1	0	367.445	2.981	1	0		FFAFRM
Cc1cc(C)c2occ(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c(=O)c2c1	ZINC000040915671	205084753	/nfs/dbraw/zinc/08/47/53/205084753.db2.gz	IGRXEPOQZOERHM-LFYBBSHMSA-N	-1	0	359.359	2.531	1	0		FFAFRM
Cn1c2cn(-c3ccccc3[S-])c(-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000061920898	205288999	/nfs/dbraw/zinc/28/89/99/205288999.db2.gz	VQNAPYDINZSJDS-UHFFFAOYSA-N	-1	0	363.442	2.984	3	0		FFAFRM
CCCCCNc1nc2c(ncn2CC(=O)[O-])c(N(C)CCC(C)C)n1	ZINC000066101584	205363922	/nfs/dbraw/zinc/36/39/22/205363922.db2.gz	QEMSVPJFSMMHSS-UHFFFAOYSA-N	-1	0	362.478	2.995	1	0		FFAFRM
COc1c([O-])cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc12	ZINC000014437090	291061288	/nfs/dbraw/zinc/06/12/88/291061288.db2.gz	WGJDKSZLQCVWMG-UHFFFAOYSA-N	-1	0	358.302	2.617	1	0	biogenic,in-vitro	FFAFRM
O=C([O-])c1c2scc3n2c2c(cc(F)c(N4CCCC4)c2OC3)c1=O	ZINC000150580007	209385618	/nfs/dbraw/zinc/38/56/18/209385618.db2.gz	HYUVLEMKVWSDAT-UHFFFAOYSA-N	-1	0	360.366	2.844	1	0		FFAFRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1nnc(-c2ccccc2Cl)s1	ZINC000103284972	209252382	/nfs/dbraw/zinc/25/23/82/209252382.db2.gz	BIBXOLJIONCAKX-QMMMGPOBSA-N	-1	0	368.827	2.539	1	0		FFAFRM
O=C([O-])C1=C(C=Cc2ccc(O)cc2)NC(=O)N[C@@H]1c1ccc(O)cc1	ZINC000103187821	209247466	/nfs/dbraw/zinc/24/74/66/209247466.db2.gz	HXSOWEPFHYEQIB-DFIVBLOKSA-N	-1	0	352.346	2.504	1	0		FFAFRM
CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])OC[C@@H](COC=O)OC=O	ZINC000040392812	208251210	/nfs/dbraw/zinc/25/12/10/208251210.db2.gz	QUPQPFMDZTULIE-KEQVLUGWSA-N	-1	0	364.331	2.527	1	0		FFAFRM
O=C([O-])[C@@H](CC(=O)Nc1ccccc1Cl)NC(=O)/C=C/c1ccccc1	ZINC000045347298	208331036	/nfs/dbraw/zinc/33/10/36/208331036.db2.gz	UUYPAUYUBZWJQH-SIFUEBAJSA-N	-1	0	372.808	2.951	1	0		FFAFRM
C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000031705512	571743167	/nfs/dbraw/zinc/74/31/67/571743167.db2.gz	DTMWSKSAMRZGQH-QDTBLXIISA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
COc1cccc([C@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)c1	ZINC000102874233	209243710	/nfs/dbraw/zinc/24/37/10/209243710.db2.gz	CHYVAKAFGGCNES-LALPHHSUSA-N	-1	0	374.466	2.704	3	0		FFAFRM
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC[P@@](=O)([O-])O)C(=O)OC2	ZINC000036338578	208156578	/nfs/dbraw/zinc/15/65/78/208156578.db2.gz	ZUCGXURBMIPEHM-UXBLZVDNSA-N	-1	0	370.338	2.826	1	0		FFAFRM
CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000040873341	208272687	/nfs/dbraw/zinc/27/26/87/208272687.db2.gz	SLWSWKGGZQCLDU-BDCJCWEESA-N	-1	0	373.449	2.846	1	0		FFAFRM
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000040873346	208272847	/nfs/dbraw/zinc/27/28/47/208272847.db2.gz	SLWSWKGGZQCLDU-PFQVVGMRSA-N	-1	0	373.449	2.846	1	0		FFAFRM
Cc1c(N2CCC[C@H](CO)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000027550281	132916440	/nfs/dbraw/zinc/91/64/40/132916440.db2.gz	QYVUNZXAOSMGRK-ZDUSSCGKSA-N	-1	0	356.422	2.552	1	0		FFAFRM
COc1cccc2c1c([O-])c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C	ZINC000100814802	209218956	/nfs/dbraw/zinc/21/89/56/209218956.db2.gz	MJEGPKLIGUTZKB-UHFFFAOYSA-N	-1	0	374.343	2.808	1	0		FFAFRM
O=c1nc(CN2CCOCC2)[n-]c2cc(-c3c[nH]c4ccccc34)sc21	ZINC000096909539	209160305	/nfs/dbraw/zinc/16/03/05/209160305.db2.gz	PBAADYUWPYCXRE-UHFFFAOYSA-N	-1	0	366.446	2.965	1	0		FFAFRM
CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000013116853	220058693	/nfs/dbraw/zinc/05/86/93/220058693.db2.gz	SFWQJLUQLRSSCF-FSDCSDTHSA-N	-1	0	357.406	2.961	1	0		FFAFRM
[NH3+][C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)[O-])[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000006476165	207142463	/nfs/dbraw/zinc/14/24/63/207142463.db2.gz	VLZBRVJVCCNPRJ-XBHMSOGKSA-N	-1	0	353.374	2.817	1	0		FFAFRM
CN1C(C(=O)Nc2cccc(Cl)c2)=C([O-])c2sccc2S1(=O)=O	ZINC000040719249	208264249	/nfs/dbraw/zinc/26/42/49/208264249.db2.gz	MNERQOIUIPSDOO-UHFFFAOYSA-N	-1	0	370.839	2.901	1	0		FFAFRM
O=C([N-]Cc1ccccc1[S@](=O)c1ccccc1CO)C(F)(F)F	ZINC000045303065	208329462	/nfs/dbraw/zinc/32/94/62/208329462.db2.gz	QXLRKZZDHOMFSQ-XMMPIXPASA-N	-1	0	357.353	2.524	1	0		FFAFRM
CN1Cc2csc3c(C(=O)[O-])c(=O)c4cc(F)c(N5CCCC5)c1c4n23	ZINC000150563488	132252274	/nfs/dbraw/zinc/25/22/74/132252274.db2.gz	CSALMZYNSGMYFM-UHFFFAOYSA-N	-1	0	373.409	2.902	1	0		FFAFRM
O=c1[nH]c(-c2ccc([N-]S(=O)(=O)c3cccs3)c(O)c2)cs1	ZINC000095601508	209085354	/nfs/dbraw/zinc/08/53/54/209085354.db2.gz	IRHWTKUUHQJNEM-UHFFFAOYSA-N	-1	0	354.434	2.671	1	0		FFAFRM
CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000005834907	535201874	/nfs/dbraw/zinc/20/18/74/535201874.db2.gz	ILBBQDQPZLDEBO-UHFFFAOYSA-N	-1	0	373.428	2.704	1	0		FFAFRM
CC(C)(C)CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(Cl)c1	ZINC000013447365	207462128	/nfs/dbraw/zinc/46/21/28/207462128.db2.gz	VUYSXYHJEIPUTG-AWEZNQCLSA-N	-1	0	368.861	2.856	1	0		FFAFRM
CN(C)C(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000044459670	208315565	/nfs/dbraw/zinc/31/55/65/208315565.db2.gz	QXCKXOXHXGSZPJ-INIZCTEOSA-N	-1	0	360.797	2.537	1	0		FFAFRM
COc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000084619761	208959199	/nfs/dbraw/zinc/95/91/99/208959199.db2.gz	QVSVKULMFAUKIL-DHDCSXOGSA-N	-1	0	355.302	2.623	1	0		FFAFRM
COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC[C@@H]1CCCN1CC[18F]	ZINC000101436057	209226339	/nfs/dbraw/zinc/22/63/39/209226339.db2.gz	SUMSSRZHRHBCGI-NDJNCYDBSA-N	-1	0	364.235	2.871	1	0		FFAFRM
COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CC[C@H]2C(=O)[O-])cc1	ZINC000001645052	206890427	/nfs/dbraw/zinc/89/04/27/206890427.db2.gz	GHKSNPQGDVIVNH-KRWDZBQOSA-N	-1	0	355.390	2.869	1	0		FFAFRM
O=C1Cc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc3c2N1CCC3	ZINC000004270410	207008851	/nfs/dbraw/zinc/00/88/51/207008851.db2.gz	NIMIYDYZJAXSII-UHFFFAOYSA-N	-1	0	364.373	2.601	3	0		FFAFRM
Cc1sc2nc(S[C@@H](C(=O)[O-])c3ccccc3)n(N)c(=O)c2c1C	ZINC000038987156	208208723	/nfs/dbraw/zinc/20/87/23/208208723.db2.gz	QZDXSQCVDPXGBD-GFCCVEGCSA-N	-1	0	361.448	2.707	1	0		FFAFRM
Cc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)[O-])cc3c2)cc1	ZINC000095578522	209082454	/nfs/dbraw/zinc/08/24/54/209082454.db2.gz	GQXMSKTWHMYBCZ-UHFFFAOYSA-N	-1	0	366.377	2.935	1	0		FFAFRM
Cc1occc1C(=O)CC[C@H]1[C@H](C(=O)[O-])CC=C2C[C@@H](O)[C@H](O)C[C@@]21C	ZINC000059586360	291064268	/nfs/dbraw/zinc/06/42/68/291064268.db2.gz	HTSSPBVEQPBHAG-FHHNZLSQSA-N	-1	0	362.422	2.720	1	0	biogenic,in-vitro	FFAFRM
COc1cc(OC)c([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC	ZINC000004104065	207000728	/nfs/dbraw/zinc/00/07/28/207000728.db2.gz	RVSYJYUMWHPOMR-QZTJIDSGSA-N	-1	0	371.389	2.708	3	0		FFAFRM
C/C(=C\Cc1c([O-])cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O)CO	ZINC000095552511	209079260	/nfs/dbraw/zinc/07/92/60/209079260.db2.gz	GGNFRQNGJUKIKW-WTDSWWLTSA-N	-1	0	370.357	2.764	1	0		FFAFRM
Cc1ccccc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1	ZINC000095586793	209081557	/nfs/dbraw/zinc/08/15/57/209081557.db2.gz	WGRBWLMHNCASFQ-UHFFFAOYSA-N	-1	0	371.418	2.873	1	0		FFAFRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000096916342	209161951	/nfs/dbraw/zinc/16/19/51/209161951.db2.gz	VQOKWGNGONANPR-JTQLQIEISA-N	-1	0	351.384	2.629	1	0		FFAFRM
O=c1oc2ccccc2c([O-])c1S[C@@H]1C(=O)Oc2ccccc2[C@@H]1O	ZINC000013604219	207470454	/nfs/dbraw/zinc/47/04/54/207470454.db2.gz	FARGPRAWHNFEMH-ZFWWWQNUSA-N	-1	0	356.355	2.612	1	0		FFAFRM
Cn1ncc2cc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)ccc21	ZINC000068204776	208745563	/nfs/dbraw/zinc/74/55/63/208745563.db2.gz	IINNYDBIZMTPEV-UHFFFAOYSA-N	-1	0	351.337	2.774	1	0		FFAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@@H]3[C@H]1CCC2=O	ZINC000261494710	571861598	/nfs/dbraw/zinc/86/15/98/571861598.db2.gz	QIJNCQNMZUTUIF-AZGFTEDZSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000261497624	210007081	/nfs/dbraw/zinc/00/70/81/210007081.db2.gz	OYPPJMLKAYYWHH-NLUAUAMFSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
COc1ccccc1N(C)C(=O)c1c([O-])c2c(OC)cccc2n(C)c1=O	ZINC000100818823	209219246	/nfs/dbraw/zinc/21/92/46/209219246.db2.gz	VSAGAWJUWFHDFA-UHFFFAOYSA-N	-1	0	368.389	2.538	1	0		FFAFRM
CC[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000006424685	207140885	/nfs/dbraw/zinc/14/08/85/207140885.db2.gz	LPVMGHAIQBNBCR-SJLPKXTDSA-N	-1	0	368.389	2.868	1	0		FFAFRM
C[C@@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)[O-])c1ccccc1	ZINC000026376097	207913937	/nfs/dbraw/zinc/91/39/37/207913937.db2.gz	DWRFNATXFQHHDE-VLIAUNLRSA-N	-1	0	352.390	2.756	1	0		FFAFRM
N[S@](=O)c1ccc(S(=O)(=O)[N-]c2cccc3c(Cl)c[nH]c32)cc1	ZINC000028362462	207959096	/nfs/dbraw/zinc/95/90/96/207959096.db2.gz	FNOUIHYAHRADRU-QFIPXVFZSA-N	-1	0	369.855	2.603	1	0		FFAFRM
Nn1c(S[C@H](C(=O)[O-])c2ccccc2)nc2c3ccccc3[nH]c2c1=O	ZINC000034648318	208104939	/nfs/dbraw/zinc/10/49/39/208104939.db2.gz	JWNSTORYMLUSCU-HNNXBMFYSA-N	-1	0	366.402	2.510	1	0		FFAFRM
O=C([O-])c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1	ZINC000071281145	136138666	/nfs/dbraw/zinc/13/86/66/136138666.db2.gz	RWHIOKKBFATIMJ-UHFFFAOYSA-N	-1	0	360.801	2.787	1	0		FFAFRM
COc1ccc(-c2nc(/C=C3\NC(=O)CS3)sc2CC(=O)[O-])cc1	ZINC000095604198	209085062	/nfs/dbraw/zinc/08/50/62/209085062.db2.gz	DBCJWSYRUYPYCK-NTUHNPAUSA-N	-1	0	362.432	2.607	1	0		FFAFRM
CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)[O-])c1C	ZINC000004435591	219575049	/nfs/dbraw/zinc/57/50/49/219575049.db2.gz	DECKMPWAODWCFT-UHFFFAOYSA-N	-1	0	355.394	2.517	3	0		FFAFRM
COc1cc(=O)c2c([O-])c(OC)c(-c3cc(O)c(OC)cc3OC)oc-2c1	ZINC000014436489	211092894	/nfs/dbraw/zinc/09/28/94/211092894.db2.gz	DCBXANRVINYQLF-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	biogenic,in-vitro	FFAFRM
O=c1oc2ccccc2c([O-])c1S[C@H]1C(=O)Oc2ccccc2[C@@H]1O	ZINC000013604215	211043339	/nfs/dbraw/zinc/04/33/39/211043339.db2.gz	FARGPRAWHNFEMH-DZGCQCFKSA-N	-1	0	356.355	2.612	1	0		FFAFRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(O)c2C)c(O)c1C=O	ZINC000013375393	211031871	/nfs/dbraw/zinc/03/18/71/211031871.db2.gz	DUIBXZLCROUOFD-UHFFFAOYSA-N	-1	0	374.345	2.762	1	0	biogenic,in-vitro	FFAFRM
COc1ccc(Cn2cc(C(=O)[O-])c(=O)c3c(F)ccc(OC)c32)cc1	ZINC000096906834	222138127	/nfs/dbraw/zinc/13/81/27/222138127.db2.gz	WRQOOCMTJMFIRG-UHFFFAOYSA-N	-1	0	357.337	2.904	1	0		FFAFRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1nnc(-c2ccc(Cl)cc2)s1	ZINC000103284956	222331610	/nfs/dbraw/zinc/33/16/10/222331610.db2.gz	JNBTXWKHPDYFOE-QMMMGPOBSA-N	-1	0	368.827	2.539	1	0		FFAFRM
COc1cc(O)cc([C@H]2Oc3c(cc(/C=C/C(=O)[O-])cc3OC)[C@@H]2CO)c1	ZINC000015153086	291061645	/nfs/dbraw/zinc/06/16/45/291061645.db2.gz	QXMSVIXIQRDNOM-LUODXLFYSA-N	-1	0	372.373	2.717	1	0	biogenic,in-vitro	FFAFRM
COc1ccc2c(c1)c1c(n2CC(=O)[O-])CCN(C(=O)c2ccccc2)C1	ZINC000035966675	211646564	/nfs/dbraw/zinc/64/65/64/211646564.db2.gz	JCYDUAGFTWKEMN-UHFFFAOYSA-N	-1	0	364.401	2.933	1	0		FFAFRM
COc1cc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc(OC)c1OC	ZINC000014437147	211092049	/nfs/dbraw/zinc/09/20/49/211092049.db2.gz	ZHESTCBHMHKZNL-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	biogenic,in-vitro	FFAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1	ZINC000003906690	132385987	/nfs/dbraw/zinc/38/59/87/132385987.db2.gz	FXWAFDBZQUZABJ-UHFFFAOYSA-N	-1	0	363.417	2.757	3	0		FFAFRM
O=C([O-])C1=C(C=Cc2ccc(O)cc2)NC(=O)N[C@H]1c1ccc(O)cc1	ZINC000103187819	222323437	/nfs/dbraw/zinc/32/34/37/222323437.db2.gz	HXSOWEPFHYEQIB-QYSIDVQXSA-N	-1	0	352.346	2.504	1	0		FFAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000013153445	220061462	/nfs/dbraw/zinc/06/14/62/220061462.db2.gz	LHQSXNQSQNPTRT-MXSMSXNCSA-N	-1	0	368.433	2.774	1	0		FFAFRM
CCCN(CCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc2ccccc2[nH]1	ZINC000013884316	211063808	/nfs/dbraw/zinc/06/38/08/211063808.db2.gz	XKEPEJGXYZMKLY-MRXNPFEDSA-N	-1	0	373.453	2.780	1	0		FFAFRM
O=C([O-])Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12	ZINC000013448999	211034021	/nfs/dbraw/zinc/03/40/21/211034021.db2.gz	WXSAWYHSKSQSPM-UHFFFAOYSA-N	-1	0	351.387	2.682	1	0		FFAFRM
COc1cc(CNc2nc3ccccc3nc2C(=O)[O-])cc(OC)c1OC	ZINC000001645530	210364363	/nfs/dbraw/zinc/36/43/63/210364363.db2.gz	RNPCDEJLWMQENZ-UHFFFAOYSA-N	-1	0	369.377	2.966	1	0		FFAFRM
Cc1cc(O)c(C)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)[O-])c(C)c1O2	ZINC000014514487	210234400	/nfs/dbraw/zinc/23/44/00/210234400.db2.gz	INMABPVEUVMMPG-UHFFFAOYSA-N	-1	0	360.318	2.538	1	0		FFAFRM
Cc1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)[n-]c1=O	ZINC000013637272	211044291	/nfs/dbraw/zinc/04/42/91/211044291.db2.gz	KJKHBRAIWVBQQD-UHFFFAOYSA-N	-1	0	361.452	2.767	3	0		FFAFRM
COc1cc(O)ccc1-c1nc([C@@H]2SC[C@@H](C(=O)[O-])N2C)cs1	ZINC000103234742	222327259	/nfs/dbraw/zinc/32/72/59/222327259.db2.gz	UXFHEZQWEWULHT-FZMZJTMJSA-N	-1	0	352.437	2.655	1	0		FFAFRM
CS(=O)(=O)c1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(F)cc2)cc1	ZINC000039030624	211707016	/nfs/dbraw/zinc/70/70/16/211707016.db2.gz	NGDMFVZTINMCKR-UHFFFAOYSA-N	-1	0	360.366	2.780	1	0		FFAFRM
[NH3+][C@@](CCc1ccccc1Oc1ccccc1)(C(=O)[O-])[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000027210944	211460579	/nfs/dbraw/zinc/46/05/79/211460579.db2.gz	HQEJSOMODQBQGB-RZQQEMMASA-N	-1	0	355.390	2.914	1	0		FFAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21	ZINC000013781424	211060260	/nfs/dbraw/zinc/06/02/60/211060260.db2.gz	XOCCSXZPWVAFGY-ZDUSSCGKSA-N	-1	0	367.188	2.993	1	0		FFAFRM
[NH3+][C@@](CCc1ccccc1Oc1ccccc1)(C(=O)[O-])[C@H]1C[C@@H]1C(=O)[O-]	ZINC000013777428	211058695	/nfs/dbraw/zinc/05/86/95/211058695.db2.gz	HQEJSOMODQBQGB-TWOQFEAHSA-N	-1	0	355.390	2.914	1	0		FFAFRM
O=C([O-])Cc1ccc(=O)n(Cc2nc3cc(C(F)(F)F)ccc3s2)n1	ZINC000000605745	210251717	/nfs/dbraw/zinc/25/17/17/210251717.db2.gz	HJYHQUAVPCYWBM-UHFFFAOYSA-N	-1	0	369.324	2.547	1	0		FFAFRM
C[C@@H]1C[C@@H](O)CC/C=C/CC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000043022992	211787525	/nfs/dbraw/zinc/78/75/25/211787525.db2.gz	PAYXAYNFEVIEBJ-BOCAPUTCSA-N	-1	0	368.813	2.899	1	0		FFAFRM
Cc1ccc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2c1	ZINC000013860746	211063300	/nfs/dbraw/zinc/06/33/00/211063300.db2.gz	WLKMUEVLHFKBMR-UHFFFAOYSA-N	-1	0	365.414	2.990	1	0		FFAFRM
O=C([O-])c1cccc(-n2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)c1	ZINC000013820145	211061584	/nfs/dbraw/zinc/06/15/84/211061584.db2.gz	CIXWRJGFJGYCMU-UHFFFAOYSA-N	-1	0	372.380	2.899	1	0		FFAFRM
CCOc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)nn1	ZINC000013761363	211058850	/nfs/dbraw/zinc/05/88/50/211058850.db2.gz	QWTLDQHYZZGSAB-UHFFFAOYSA-N	-1	0	372.450	2.895	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000012496564	571695245	/nfs/dbraw/zinc/69/52/45/571695245.db2.gz	OYPPJMLKAYYWHH-NTIRKZIESA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
COc1cc(OC)c(-c2coc3cc([O-])c(OC)c(O)c3c2=O)cc1OC	ZINC000005915435	210231977	/nfs/dbraw/zinc/23/19/77/210231977.db2.gz	SHONUJDWRZAHCQ-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	biogenic,in-vitro	FFAFRM
Cc1c(CCC(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccc(O)cn1	ZINC000049049210	211884451	/nfs/dbraw/zinc/88/44/51/211884451.db2.gz	KJDBKYUMMLVJEK-UHFFFAOYSA-N	-1	0	366.377	2.551	1	0		FFAFRM
COc1cccc([C@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000022609860	211355871	/nfs/dbraw/zinc/35/58/71/211355871.db2.gz	CHYVAKAFGGCNES-TYNCELHUSA-N	-1	0	374.466	2.704	3	0		FFAFRM
CC(=O)N[C@@H](CSC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000066258721	221243619	/nfs/dbraw/zinc/24/36/19/221243619.db2.gz	NKLKUGJQIQZADL-JTQLQIEISA-N	-1	0	351.211	2.848	1	0		FFAFRM
Cc1ccc2cc1C(=O)N[C@H](C(=O)[O-])Cc1cccc(c1)OCCCCO2	ZINC000103258331	222329612	/nfs/dbraw/zinc/32/96/12/222329612.db2.gz	CTVYHQCWCNHILX-IBGZPJMESA-N	-1	0	369.417	2.972	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000012496572	571695335	/nfs/dbraw/zinc/69/53/35/571695335.db2.gz	OYPPJMLKAYYWHH-WYVSGJMJSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
CC(C)(C)CCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(Cl)c1	ZINC000001544811	210227459	/nfs/dbraw/zinc/22/74/59/210227459.db2.gz	VUYSXYHJEIPUTG-CQSZACIVSA-N	-1	0	368.861	2.856	1	0		FFAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1	ZINC000013151336	220059356	/nfs/dbraw/zinc/05/93/56/220059356.db2.gz	DUFGBXZQCBTAOV-IDCJVQTKSA-N	-1	0	368.433	2.774	1	0		FFAFRM
[NH3+][C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)[O-])[C@@H]1C[C@H]1C(=O)[O-]	ZINC000013777502	211057672	/nfs/dbraw/zinc/05/76/72/211057672.db2.gz	VLZBRVJVCCNPRJ-WAWZGNHOSA-N	-1	0	353.374	2.817	1	0		FFAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)s2)cc1	ZINC000013778429	211058826	/nfs/dbraw/zinc/05/88/26/211058826.db2.gz	UVXTZZTWBQFLQL-OAHLLOKOSA-N	-1	0	369.464	2.811	1	0		FFAFRM
[NH3+][C@](CC1c2ccccc2Oc2ccccc21)(C(=O)[O-])[C@@H]1C[C@H]1C(=O)[O-]	ZINC000003994228	210501799	/nfs/dbraw/zinc/50/17/99/210501799.db2.gz	VLZBRVJVCCNPRJ-RCDCFZSISA-N	-1	0	353.374	2.817	1	0		FFAFRM
CC(=O)Oc1ccc(/C=C(/C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000066079595	221240343	/nfs/dbraw/zinc/24/03/43/221240343.db2.gz	OEYMNLJHSACTIM-GZTJUZNOSA-N	-1	0	360.387	2.641	1	0		FFAFRM
CN(C)c1ccc2c(c1)c([O-])c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000101210485	222264703	/nfs/dbraw/zinc/26/47/03/222264703.db2.gz	HUCKXVMPBACWLN-UHFFFAOYSA-N	-1	0	351.406	2.587	1	0		FFAFRM
COc1ccc(C(=O)C2=C([O-])c3cc(OC)c(OC)cc3C2)cc1OC	ZINC000101323978	222270676	/nfs/dbraw/zinc/27/06/76/222270676.db2.gz	KRKPKRZYAMBZCV-AWEZNQCLSA-N	-1	0	356.374	2.959	1	0		FFAFRM
CC/C=C/C[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000012496568	571695296	/nfs/dbraw/zinc/69/52/96/571695296.db2.gz	OYPPJMLKAYYWHH-IPXSYUQXSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000065731641	571772121	/nfs/dbraw/zinc/77/21/21/571772121.db2.gz	AOPOCGPBAIARAV-JJVMZPRHSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
Nc1cc(NC(=O)NC(=O)c2ccc(F)cc2Cl)ccc1C(=O)[O-]	ZINC000013673962	220083414	/nfs/dbraw/zinc/08/34/14/220083414.db2.gz	SFZAYPRJKCBSPL-UHFFFAOYSA-N	-1	0	351.721	2.721	1	0		FFAFRM
CCc1c(=O)n([O-])c(=O)n(COCc2ccccc2)c1Cc1ccccc1	ZINC000066103413	221241790	/nfs/dbraw/zinc/24/17/90/221241790.db2.gz	BHHGVNCCEIINKB-UHFFFAOYSA-N	-1	0	366.417	2.575	1	0		FFAFRM
O=C1[N-]S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000000602422	527083297	/nfs/dbraw/zinc/08/32/97/527083297.db2.gz	ROGLPPVVAYRNNA-UHFFFAOYSA-N	-1	0	357.218	2.988	1	0		FFAFRM
CC(C)(O)[C@@H]1Cc2c(c(-c3coc4cc([O-])cc(O)c4c3=O)ccc2O)O1	ZINC000013864662	220097973	/nfs/dbraw/zinc/09/79/73/220097973.db2.gz	ONQRNGWXVWFLDX-INIZCTEOSA-N	-1	0	370.357	2.651	1	0		FFAFRM
C[C@H](C(=O)[O-])N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040875858	136120461	/nfs/dbraw/zinc/12/04/61/136120461.db2.gz	KRVPFJFEUNLXKD-CQSZACIVSA-N	-1	0	355.394	2.766	1	0		FFAFRM
O=C([O-])c1cc(-c2ccc(CO)cc2)nc2c1cnn2Cc1ccncc1	ZINC000095584537	221964384	/nfs/dbraw/zinc/96/43/84/221964384.db2.gz	UHGSMCVCGLSUOE-UHFFFAOYSA-N	-1	0	360.373	2.732	1	0		FFAFRM
CC(C)c1cccc(C(=O)[O-])c1CCCn1cnc2c1NC=NC[C@@H]2O	ZINC000013807502	220095591	/nfs/dbraw/zinc/09/55/91/220095591.db2.gz	WCWQUDJXNHTWQN-INIZCTEOSA-N	-1	0	356.426	2.825	1	0		FFAFRM
CC(C)c1cccc(C(=O)[O-])c1SCCn1cnc2c1NC=NC[C@@H]2O	ZINC000013807521	220096164	/nfs/dbraw/zinc/09/61/64/220096164.db2.gz	DVADQLJWEGAWJS-AWEZNQCLSA-N	-1	0	374.466	2.984	1	0		FFAFRM
CC(C)C[C@H](CO)Nc1nc(OCc2ccccc2)[n-]c2nc(=O)sc1-2	ZINC000014209982	220117332	/nfs/dbraw/zinc/11/73/32/220117332.db2.gz	KJEUTTLHSRWQMD-CYBMUJFWSA-N	-1	0	374.466	2.778	1	0		FFAFRM
COC(=O)c1c([O-])c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000035010303	220773133	/nfs/dbraw/zinc/77/31/33/220773133.db2.gz	PVGYNKMYZCVNHS-UHFFFAOYSA-N	-1	0	370.308	2.958	1	0		FFAFRM
COc1cc(-c2coc3cc([O-])c(OC)cc3c2=O)c(OC)c2c1OCO2	ZINC000058590789	221121713	/nfs/dbraw/zinc/12/17/13/221121713.db2.gz	ZGJLPIFVPCFYDU-UHFFFAOYSA-N	-1	0	372.329	2.920	1	0		FFAFRM
CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000066263450	221244220	/nfs/dbraw/zinc/24/42/20/221244220.db2.gz	BXZPWMFCLSKTAJ-OALUTQOASA-N	-1	0	364.445	2.688	1	0		FFAFRM
CCC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(N)=O)CC2)CCCC1)C(=O)[O-]	ZINC000101091971	222262632	/nfs/dbraw/zinc/26/26/32/222262632.db2.gz	OLJFAUHUGYPHKD-RBSFLKMASA-N	-1	0	352.475	2.598	1	0		FFAFRM
CC(C)(C)CCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc2ccccc2[nH]1	ZINC000013447226	220068058	/nfs/dbraw/zinc/06/80/58/220068058.db2.gz	WPVGADVMVUQURM-OAHLLOKOSA-N	-1	0	373.453	2.684	1	0		FFAFRM
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(C(=O)[O-])c1	ZINC000029462822	220605748	/nfs/dbraw/zinc/60/57/48/220605748.db2.gz	SCXRGGOOSQTZBO-UHFFFAOYSA-N	-1	0	365.315	2.658	1	0		FFAFRM
O=C([O-])Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1	ZINC000096938253	222143324	/nfs/dbraw/zinc/14/33/24/222143324.db2.gz	BMIMUHWRGBMVCA-UHFFFAOYSA-N	-1	0	374.400	2.800	1	0		FFAFRM
CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(N)cc1OCC(=O)[O-]	ZINC000103253689	222329066	/nfs/dbraw/zinc/32/90/66/222329066.db2.gz	UIPDZSTYZLHAJO-UHFFFAOYSA-N	-1	0	365.430	2.701	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000261497623	528787682	/nfs/dbraw/zinc/78/76/82/528787682.db2.gz	OYPPJMLKAYYWHH-BQWBUDIWSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
COc1cc(C)c(C(=O)Oc2cc(C)c(O)c(C(=O)[O-])c2C)c(O)c1C=O	ZINC000004164964	560197197	/nfs/dbraw/zinc/19/71/97/560197197.db2.gz	IGTAVCGEZLIHKG-UHFFFAOYSA-N	-1	0	374.345	2.762	1	0	in-vitro	FFAFRM
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2c(F)cccc12	ZINC000013860788	220098260	/nfs/dbraw/zinc/09/82/60/220098260.db2.gz	LBKGISZTPYHDRI-UHFFFAOYSA-N	-1	0	369.377	2.821	1	0		FFAFRM
COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc(O)c1OC	ZINC000014436780	220124744	/nfs/dbraw/zinc/12/47/44/220124744.db2.gz	YTYFGDJADQYGLC-UHFFFAOYSA-N	-1	0	360.318	2.603	1	0	in-vitro	FFAFRM
CC(=O)c1c(-c2ccccc2)nn(CC(=O)[O-])c(=O)c1Nc1ccccc1	ZINC000029557132	220607101	/nfs/dbraw/zinc/60/71/01/220607101.db2.gz	KPAQTEDCHASXKA-UHFFFAOYSA-N	-1	0	363.373	2.941	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000033954016	220754008	/nfs/dbraw/zinc/75/40/08/220754008.db2.gz	OYPPJMLKAYYWHH-WFHCIOOKSA-N	-1	0	368.470	2.545	1	0	in-man	FFAFRM
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1	ZINC000073165591	221559241	/nfs/dbraw/zinc/55/92/41/221559241.db2.gz	NMBOQCDQTOCORB-UHFFFAOYSA-N	-1	0	364.354	2.541	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000261497626	528787806	/nfs/dbraw/zinc/78/78/06/528787806.db2.gz	OYPPJMLKAYYWHH-NZGAELDRSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])COC3)c(F)c2)c1	ZINC000028524486	581099490	/nfs/dbraw/zinc/09/94/90/581099490.db2.gz	ACVVUDHOLXYRNS-UHFFFAOYSA-N	-1	0	357.337	2.851	1	0		FFAFRM
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)[O-]	ZINC000006443165	219731018	/nfs/dbraw/zinc/73/10/18/219731018.db2.gz	DSNGQFFZCBJQKE-RQJHMYQMSA-N	-1	0	350.626	2.740	1	0		FFAFRM
O=[S@@](c1ccccc1)c1cnccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000013586693	220077080	/nfs/dbraw/zinc/07/70/80/220077080.db2.gz	ZQMGNORHKBCQLC-OAQYLSRUSA-N	-1	0	350.343	2.510	1	0		FFAFRM
O=c1oc2ccccc2c([O-])c1S[C@@H]1C(=O)Oc2ccccc2[C@H]1O	ZINC000013604221	220078349	/nfs/dbraw/zinc/07/83/49/220078349.db2.gz	FARGPRAWHNFEMH-HIFRSBDPSA-N	-1	0	356.355	2.612	1	0		FFAFRM
CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000013747578	220092043	/nfs/dbraw/zinc/09/20/43/220092043.db2.gz	WARJVLNAQNJMPQ-UHFFFAOYSA-N	-1	0	370.471	2.599	1	0		FFAFRM
COc1cc(=O)c2c([O-])c(OC)c(-c3cc(O)c(OC)c(O)c3)oc-2c1	ZINC000014436788	220124359	/nfs/dbraw/zinc/12/43/59/220124359.db2.gz	XWQRPAOBLCGIRQ-UHFFFAOYSA-N	-1	0	360.318	2.603	1	0		FFAFRM
Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040413795	220907271	/nfs/dbraw/zinc/90/72/71/220907271.db2.gz	HAAJUHACTXVSDI-UHFFFAOYSA-N	-1	0	351.362	2.772	1	0		FFAFRM
Cc1c2c(cc(=O)n1C)[n-]n(-c1ccc(OCc3ccccc3)cc1)c2=O	ZINC000064447994	221146452	/nfs/dbraw/zinc/14/64/52/221146452.db2.gz	LVJKSDPRUUJIPK-UHFFFAOYSA-N	-1	0	361.401	2.905	1	0		FFAFRM
O=C([O-])c1cccc(Cl)c1O[C@H]1CC[C@H]2C[NH2+][C@H](C(=O)[O-])C[C@H]2C1	ZINC000096939190	222143842	/nfs/dbraw/zinc/14/38/42/222143842.db2.gz	OOFJHYWNJKMADZ-MIJXAVMKSA-N	-1	0	353.802	2.648	1	0		FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000261497625	528787383	/nfs/dbraw/zinc/78/73/83/528787383.db2.gz	OYPPJMLKAYYWHH-NRVIWUMXSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
O=c1c2cc(I)ccc2nc(-c2cccs2)n1[O-]	ZINC000001663526	219415661	/nfs/dbraw/zinc/41/56/61/219415661.db2.gz	PWXOVFJGQMENIX-UHFFFAOYSA-N	-1	0	370.171	2.967	1	0		FFAFRM
Cc1c([O-])c(C=O)c(O)c2c(=O)c(Cc3ccc4c(c3)OCO4)coc12	ZINC000013310195	291064252	/nfs/dbraw/zinc/06/42/52/291064252.db2.gz	RTHZSGZAVUIROF-UHFFFAOYSA-N	-1	0	354.314	2.645	1	0	biogenic,in-vitro	FFAFRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Cl)ccc3OC(=O)[C@@H]21	ZINC000013115632	220057378	/nfs/dbraw/zinc/05/73/78/220057378.db2.gz	GLRLETCXFWLLIY-NRPADANISA-N	-1	0	369.807	2.728	1	0		FFAFRM
O=C([O-])CNC(=O)c1nc(-c2ccccc2)cc2c1ncn2-c1ccccc1	ZINC000040422945	220906700	/nfs/dbraw/zinc/90/67/00/220906700.db2.gz	WGYLKBODGCGXHY-UHFFFAOYSA-N	-1	0	372.384	2.902	1	0		FFAFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1cccc(Cl)c1	ZINC000043119926	220944273	/nfs/dbraw/zinc/94/42/73/220944273.db2.gz	NXVYLUHXXCIUGG-UHFFFAOYSA-N	-1	0	364.810	2.862	1	0		FFAFRM
C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CCS1	ZINC000049748494	136123904	/nfs/dbraw/zinc/12/39/04/136123904.db2.gz	XITMABSZYZIVCB-JTQLQIEISA-N	-1	0	359.451	2.559	1	0		FFAFRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1	ZINC000169293130	222557651	/nfs/dbraw/zinc/55/76/51/222557651.db2.gz	DUFGBXZQCBTAOV-IHETXDGRSA-N	-1	0	368.433	2.774	1	0		FFAFRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000005447849	204209052	/nfs/dbraw/zinc/20/90/52/204209052.db2.gz	LHQSXNQSQNPTRT-MVJTYMMSSA-N	-1	0	368.433	2.774	1	0		FFAFRM
COc1ccccc1NC(=O)[C@H](Cc1ccc(Cl)cc1)c1nnn[n-]1	ZINC000005671231	204220699	/nfs/dbraw/zinc/22/06/99/204220699.db2.gz	AKICDQBJUYUDMG-CYBMUJFWSA-N	-1	0	357.801	2.827	3	0		FFAFRM
O=C([O-])CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000040977468	205086517	/nfs/dbraw/zinc/08/65/17/205086517.db2.gz	JVJHQJJIFHNNGH-UHFFFAOYSA-N	-1	0	351.362	2.625	1	0		FFAFRM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C(=O)[O-])[C@@H]1CC[C@@H]2C(=O)CO	ZINC000085588991	574416699	/nfs/dbraw/zinc/41/66/99/574416699.db2.gz	RUPOMAOZPOVHQZ-OWVDYMSYSA-N	-1	0	360.450	2.761	1	0	endogenous,in-man	FFAFRM
CC1=CCC[C@@H]2[C@@](CO)(CC/C(=C/CO)CO)[C@H](C)C[C@]2(C(=O)[O-])C1	ZINC000095914508	291058395	/nfs/dbraw/zinc/05/83/95/291058395.db2.gz	OGPOPMOZVDUDLJ-SOPAFXHJSA-N	-1	0	352.471	2.514	1	0	biogenic,in-vitro	FFAFRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000033954018	204975033	/nfs/dbraw/zinc/97/50/33/204975033.db2.gz	OYPPJMLKAYYWHH-FZMUUUDYSA-N	-1	0	368.470	2.545	1	0	in-man	FFAFRM
CC(C)(C)CCNC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000035996401	205000803	/nfs/dbraw/zinc/00/08/03/205000803.db2.gz	KUTOSQWTZBPXJL-QMMMGPOBSA-N	-1	0	364.286	2.539	1	0		FFAFRM
CCCCC[C@@H](O)CCCN(CCCCCC(=O)[O-])S(C)(=O)=O	ZINC000043073122	205100283	/nfs/dbraw/zinc/10/02/83/205100283.db2.gz	WPTYIXZEPBHXPQ-OAHLLOKOSA-N	-1	0	351.509	2.614	1	0		FFAFRM
COc1cccc2c1c([O-])c(C(=O)N(C)c1ccc(F)cc1F)c(=O)n2C	ZINC000100816534	205948939	/nfs/dbraw/zinc/94/89/39/205948939.db2.gz	KYLCUIKSNXNVOO-UHFFFAOYSA-N	-1	0	374.343	2.808	1	0		FFAFRM
COC[C@]1(O)C(C(=O)[O-])=C2C[C@H]3CC[C@@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@@]34C	ZINC000085548923	291060897	/nfs/dbraw/zinc/06/08/97/291060897.db2.gz	PLEIWQMZASHNTG-CZLIRFIDSA-N	-1	0	356.442	2.655	1	0	biogenic,in-vitro	FFAFRM
COc1ccc(N(C)C(=O)c2c([O-])c3c(OC)cccc3n(C)c2=O)cc1	ZINC000101475394	205960153	/nfs/dbraw/zinc/96/01/53/205960153.db2.gz	RXVKFTKSEGTNHB-UHFFFAOYSA-N	-1	0	368.389	2.538	1	0		FFAFRM
CC/C=C\C[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCC(=O)[O-]	ZINC000085588945	571784180	/nfs/dbraw/zinc/78/41/80/571784180.db2.gz	VLLDKSJDBRLUOY-XIFXWWOOSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
COC(=O)C=Cc1c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O	ZINC000095909454	291060079	/nfs/dbraw/zinc/06/00/79/291060079.db2.gz	ZYGRRQHXBIRCRU-VOTSOKGWSA-N	-1	0	354.314	2.763	1	0	biogenic,in-vitro	FFAFRM
Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)o1	ZINC000001480297	204010018	/nfs/dbraw/zinc/01/00/18/204010018.db2.gz	NICRJXXZPLAFMD-WDMOLILDSA-N	-1	0	374.340	2.753	1	0		FFAFRM
CNc1ccc(C)cc1S(=O)(=O)[N-]c1onc(C)c1Br	ZINC000001540807	204011892	/nfs/dbraw/zinc/01/18/92/204011892.db2.gz	KPISXONXINCUAB-UHFFFAOYSA-N	-1	0	360.233	2.896	1	0		FFAFRM
Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(Cl)c1	ZINC000026171522	204847364	/nfs/dbraw/zinc/84/73/64/204847364.db2.gz	JBIMMGGXACSHDI-INIZCTEOSA-N	-1	0	357.797	2.829	1	0		FFAFRM
COc1c(C)c2c(c(O)c1C/C=C(C)/C=C/[P@@](=O)([O-])O)C(=O)OC2	ZINC000036338569	205011213	/nfs/dbraw/zinc/01/12/13/205011213.db2.gz	GESVWYROBIVULS-PIAAQLDDSA-N	-1	0	354.295	2.560	1	0		FFAFRM
O=C([O-])c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2	ZINC000040828332	205082193	/nfs/dbraw/zinc/08/21/93/205082193.db2.gz	OPURQRDIBOFOLY-OAHLLOKOSA-N	-1	0	363.373	2.965	1	0		FFAFRM
CCN(C(=O)c1c([O-])c2c(OC)cccc2n(C)c1=O)c1ccccc1	ZINC000100815148	205949100	/nfs/dbraw/zinc/94/91/00/205949100.db2.gz	DVCXLZGKWGUOIH-UHFFFAOYSA-N	-1	0	352.390	2.919	1	0		FFAFRM
C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CCS1	ZINC000049748493	136123962	/nfs/dbraw/zinc/12/39/62/136123962.db2.gz	XITMABSZYZIVCB-SNVBAGLBSA-N	-1	0	359.451	2.559	1	0		FFAFRM
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])[C@H](O)CC3)c(F)c2)c1	ZINC000028525764	204883878	/nfs/dbraw/zinc/88/38/78/204883878.db2.gz	OEDWTWLCDASQHI-QGZVFWFLSA-N	-1	0	371.364	2.976	1	0		FFAFRM
CCNC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3ccccc32)C1	ZINC000049590521	205174504	/nfs/dbraw/zinc/17/45/04/205174504.db2.gz	WYDCDWZPWHOLMQ-HOTGVXAUSA-N	-1	0	357.454	2.564	1	0		FFAFRM
COc1ccc(N)cc1-c1nc([C@H]2SC[C@@H](C(=O)[O-])N2C)cs1	ZINC000103234756	205989343	/nfs/dbraw/zinc/98/93/43/205989343.db2.gz	QOCIWPBFEQSIIQ-SMDDNHRTSA-N	-1	0	351.453	2.531	1	0		FFAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@H]3[C@H]1CCC2=O	ZINC000261494711	571861586	/nfs/dbraw/zinc/86/15/86/571861586.db2.gz	QIJNCQNMZUTUIF-LZDVPDMXSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
COc1ccc([C@H](c2ccccc2)N2C(=O)CC[C@@H]2C(=O)[O-])cc1OC	ZINC000001645049	204016242	/nfs/dbraw/zinc/01/62/42/204016242.db2.gz	AAAGUOJHUURVQP-BEFAXECRSA-N	-1	0	355.390	2.869	1	0		FFAFRM
CCCCC[C@@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)[O-])cc1	ZINC000003815966	204111242	/nfs/dbraw/zinc/11/12/42/204111242.db2.gz	PAVYSSGJRYCIIJ-GOSISDBHSA-N	-1	0	362.470	2.708	1	0		FFAFRM
[O-]C1=C2OC(=S)N[C@@H]2c2c(Br)sc(Br)c21	ZINC000006523910	204252125	/nfs/dbraw/zinc/25/21/25/204252125.db2.gz	QDHFASGVDRQOFS-NQXXGFSBSA-N	-1	0	369.059	2.784	1	0		FFAFRM
CC(=O)n1cc([C@H]2C=C(C(=O)[O-])O[C@@H](OCCCCO)C2)c2ccccc21	ZINC000006563233	204253082	/nfs/dbraw/zinc/25/30/82/204253082.db2.gz	DTSXCENXWZJEQR-IFXJQAMLSA-N	-1	0	373.405	2.889	3	0		FFAFRM
CC(=O)Nc1ccc(/C(=C\c2ccc(S(C)(=O)=O)cc2)C(=O)[O-])cc1	ZINC000103168365	205985037	/nfs/dbraw/zinc/98/50/37/205985037.db2.gz	LPCXGKFEWGKXLZ-GZTJUZNOSA-N	-1	0	359.403	2.674	1	0		FFAFRM
O=C([O-])c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1-3	ZINC000169319957	206250661	/nfs/dbraw/zinc/25/06/61/206250661.db2.gz	LJMVFRSCVLFNEI-UHFFFAOYSA-N	-1	0	361.762	2.693	1	0		FFAFRM
Cc1ccc2cc1C(=O)N[C@H](C(=O)[O-])Cc1cccc(c1)OC/C=C\CO2	ZINC000169313226	206250918	/nfs/dbraw/zinc/25/09/18/206250918.db2.gz	YTERIDFBKZENLC-AXMVSILFSA-N	-1	0	367.401	2.748	1	0		FFAFRM
COc1c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO	ZINC000085633024	291061273	/nfs/dbraw/zinc/06/12/73/291061273.db2.gz	VGHXNEYLKOLHME-UHFFFAOYSA-N	-1	0	358.346	2.641	1	0	biogenic,in-vitro	FFAFRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)cc1C	ZINC000004660804	204152526	/nfs/dbraw/zinc/15/25/26/204152526.db2.gz	GKXGEFVEXTYUBD-UHFFFAOYSA-N	-1	0	362.407	2.761	3	0		FFAFRM
O=C([O-])Cc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c2ccccc12	ZINC000013449064	204531546	/nfs/dbraw/zinc/53/15/46/204531546.db2.gz	KPUWBWBNAUTTPX-UHFFFAOYSA-N	-1	0	361.357	2.727	1	0		FFAFRM
COc1ccc2c(C(=O)N(CC(=O)[O-])C(C)=O)cccc2c1C(F)(F)F	ZINC000026496336	204851699	/nfs/dbraw/zinc/85/16/99/204851699.db2.gz	UOMHPGDWHPZLIW-UHFFFAOYSA-N	-1	0	369.295	2.941	1	0		FFAFRM
C[C@H](NC(=O)c1nc2c(cc(C(F)(F)F)cc2C(F)(F)F)[nH]1)C(=O)[O-]	ZINC000066114452	205364217	/nfs/dbraw/zinc/36/42/17/205364217.db2.gz	JTAQLMRPSOWRBB-BYPYZUCNSA-N	-1	0	369.221	2.803	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OCCCCOc2cccc(F)c2C(=O)N1	ZINC000103259023	205990463	/nfs/dbraw/zinc/99/04/63/205990463.db2.gz	DJFMCLBEHCXHRR-INIZCTEOSA-N	-1	0	373.380	2.803	1	0		FFAFRM
CCOC(=O)c1nc2c(c(=O)[n-]1)[C@@H]1CCCN1C(=O)N2c1ccccc1	ZINC000084758895	132199248	/nfs/dbraw/zinc/19/92/48/132199248.db2.gz	QXFDPMCSDJQLEK-LBPRGKRZSA-N	-1	0	354.366	2.768	1	0		FFAFRM
COc1ccc(CNC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])c(OC)c1	ZINC000006815633	204274225	/nfs/dbraw/zinc/27/42/25/204274225.db2.gz	BZBQTTRDFYWLMJ-UHFFFAOYSA-N	-1	0	368.389	2.742	3	0		FFAFRM
O=C([O-])c1cc(=O)c2c3c(c(Cl)cc2[nH]1)S(=O)(=O)c1ccccc1-3	ZINC000149033186	206141074	/nfs/dbraw/zinc/14/10/74/206141074.db2.gz	BHHPXIUQXIYPCU-UHFFFAOYSA-N	-1	0	361.762	2.693	1	0		FFAFRM
O=C([O-])CCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1	ZINC000169333665	206252081	/nfs/dbraw/zinc/25/20/81/206252081.db2.gz	NWLATBPNRWQOPR-UHFFFAOYSA-N	-1	0	354.406	2.853	1	0		FFAFRM
O=C([O-])CCc1ccccc1C[C@H]1[C@@H](c2nc(CO)co2)[C@H]2CC[C@@H]1O2	ZINC000169367758	206252850	/nfs/dbraw/zinc/25/28/50/206252850.db2.gz	CVGQJRKPOPBTLN-SFNKJDCFSA-N	-1	0	357.406	2.688	1	0		FFAFRM
CCOC(=O)c1nc2c(c(=O)[n-]1)[C@H]1CCCN1C(=O)N2c1ccccc1	ZINC000084758894	132199113	/nfs/dbraw/zinc/19/91/13/132199113.db2.gz	QXFDPMCSDJQLEK-GFCCVEGCSA-N	-1	0	354.366	2.768	1	0		FFAFRM
C[C@@H](C(=O)[O-])N1CCCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040875854	136120599	/nfs/dbraw/zinc/12/05/99/136120599.db2.gz	KRVPFJFEUNLXKD-AWEZNQCLSA-N	-1	0	355.394	2.766	1	0		FFAFRM
COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000002904102	209399202	/nfs/dbraw/zinc/39/92/02/209399202.db2.gz	JZSBZZLZXMBWTG-QTGCHDBNSA-N	-1	0	351.786	2.819	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C\COc2ccc(c(F)c2)C(=O)N1	ZINC000103258338	209251034	/nfs/dbraw/zinc/25/10/34/209251034.db2.gz	CLCYYBNLZMBPBL-KROLTMCQSA-N	-1	0	371.364	2.579	1	0		FFAFRM
Cc1cccc(NC(=O)N[C@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)c1	ZINC000001534226	206888132	/nfs/dbraw/zinc/88/81/32/206888132.db2.gz	NRULKSIEDTYWQA-INIZCTEOSA-N	-1	0	367.405	2.549	1	0		FFAFRM
CC(C)=CCC/C(C)=C\CO[P@@](=O)([O-])OC[C@@H](COC=O)OC=O	ZINC000040861317	208272691	/nfs/dbraw/zinc/27/26/91/208272691.db2.gz	QUPQPFMDZTULIE-XIEDVDOYSA-N	-1	0	364.331	2.527	1	0		FFAFRM
O=C([O-])C1=C(NC(=O)CCc2noc3c2CCc2cc(O)ccc2-3)CCC1	ZINC000040943610	208276844	/nfs/dbraw/zinc/27/68/44/208276844.db2.gz	JIRAUVHYTNPNIG-UHFFFAOYSA-N	-1	0	368.389	2.717	1	0		FFAFRM
CCCN(CCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc2ccccc2[nH]1	ZINC000001552176	206888143	/nfs/dbraw/zinc/88/81/43/206888143.db2.gz	XKEPEJGXYZMKLY-INIZCTEOSA-N	-1	0	373.453	2.780	1	0		FFAFRM
COc1cc(OC)c([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC	ZINC000004104067	207000683	/nfs/dbraw/zinc/00/06/83/207000683.db2.gz	RVSYJYUMWHPOMR-MSOLQXFVSA-N	-1	0	371.389	2.708	3	0		FFAFRM
O=Cc1ccn(-c2cc3c4cc(C(=O)[O-])nn4c(=O)[nH]c3cc2Cl)c1	ZINC000013472586	207461568	/nfs/dbraw/zinc/46/15/68/207461568.db2.gz	IPDQBXQCJNLMHR-UHFFFAOYSA-N	-1	0	356.725	2.543	1	0		FFAFRM
COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)c1	ZINC000022609869	207814833	/nfs/dbraw/zinc/81/48/33/207814833.db2.gz	CHYVAKAFGGCNES-HUBLWGQQSA-N	-1	0	374.466	2.704	1	0		FFAFRM
CCOc1cc([C@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)ccc1OC	ZINC000040406092	208251995	/nfs/dbraw/zinc/25/19/95/208251995.db2.gz	IRYSEMPQXFLMBJ-HNNXBMFYSA-N	-1	0	369.373	2.906	1	0		FFAFRM
O=C([O-])CNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1	ZINC000049049131	208412977	/nfs/dbraw/zinc/41/29/77/208412977.db2.gz	MZHUSWAJLBWKNU-UHFFFAOYSA-N	-1	0	371.437	2.591	1	0		FFAFRM
Cc1nn(-c2nc(C)c(Br)c(=O)[n-]2)c(C)c1Br	ZINC000103189253	209248603	/nfs/dbraw/zinc/24/86/03/209248603.db2.gz	XSRALKWKAAJACR-UHFFFAOYSA-N	-1	0	362.025	2.818	1	0		FFAFRM
COc1ccc(CCn2c([O-])cc(=O)n(CCc3ccccc3)c2=O)cc1	ZINC000102843869	209242418	/nfs/dbraw/zinc/24/24/18/209242418.db2.gz	NRBRWFADFZINOI-UHFFFAOYSA-N	-1	0	366.417	2.661	1	0		FFAFRM
CCOC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O	ZINC000101705126	209228564	/nfs/dbraw/zinc/22/85/64/209228564.db2.gz	NFILOZULWSDTDL-UHFFFAOYSA-N	-1	0	356.353	2.546	1	0		FFAFRM
NC(=O)c1c(F)ccc(OCc2nc3cc(C(=O)[O-])ccc3s2)c1F	ZINC000049115193	208415166	/nfs/dbraw/zinc/41/51/66/208415166.db2.gz	ZXZIYUKDUMKXGN-UHFFFAOYSA-N	-1	0	364.329	2.951	1	0		FFAFRM
O=C([O-])c1c[nH]c2ccc(NC(=O)CNC(=O)Nc3ccccc3)cc12	ZINC000095577632	209082449	/nfs/dbraw/zinc/08/24/49/209082449.db2.gz	URSGSBKYLGFOGG-UHFFFAOYSA-N	-1	0	352.350	2.626	1	0		FFAFRM
C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000031705519	571743158	/nfs/dbraw/zinc/74/31/58/571743158.db2.gz	DTMWSKSAMRZGQH-JPVZDGGYSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]	ZINC000040165304	574414580	/nfs/dbraw/zinc/41/45/80/574414580.db2.gz	AOPOCGPBAIARAV-RYHPKNGNSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
COc1ccc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)[O-])cc1	ZINC000001645056	206891393	/nfs/dbraw/zinc/89/13/93/206891393.db2.gz	YETYHCXNYZFWAD-HNAYVOBHSA-N	-1	0	369.373	2.589	1	0		FFAFRM
Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)c1	ZINC000003780386	206989844	/nfs/dbraw/zinc/98/98/44/206989844.db2.gz	NRULKSIEDTYWQA-MRXNPFEDSA-N	-1	0	367.405	2.549	1	0		FFAFRM
CC/C=C/CC(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1	ZINC000029056139	207981508	/nfs/dbraw/zinc/98/15/08/207981508.db2.gz	SISFQEWYJPFZBT-PUPYBWJYSA-N	-1	0	360.454	2.888	1	0		FFAFRM
Cc1ccc(-c2cc(C(=O)[O-])nn2-c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000040893783	208274711	/nfs/dbraw/zinc/27/47/11/208274711.db2.gz	YXWUNVKPNNVSOO-UHFFFAOYSA-N	-1	0	356.403	2.949	1	0		FFAFRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000169305261	509658074	/nfs/dbraw/zinc/65/80/74/509658074.db2.gz	LHQSXNQSQNPTRT-CIRFHOKZSA-N	-1	0	368.433	2.774	1	0		FFAFRM
CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]	ZINC000040165306	574414590	/nfs/dbraw/zinc/41/45/90/574414590.db2.gz	AOPOCGPBAIARAV-BKRSJWLHSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
COc1c(C)c([O-])c(C=O)c2c1C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2	ZINC000014757606	291061270	/nfs/dbraw/zinc/06/12/70/291061270.db2.gz	QPCIWGFEBZQOQN-LBPRGKRZSA-N	-1	0	370.357	2.684	1	0	biogenic,in-vitro	FFAFRM
Cc1c([O-])c(C=O)c2occ(Cc3ccc4c(c3)OCO4)c(O)c-2c1=O	ZINC000013481919	291064269	/nfs/dbraw/zinc/06/42/69/291064269.db2.gz	MNAZQDBGIVJQLS-UHFFFAOYSA-N	-1	0	354.314	2.645	1	0	biogenic,in-vitro	FFAFRM
O=c1c(O)c(-c2ccc(O)cc2)oc2cc([O-])c3c(c12)O[C@H](CCO)CC3	ZINC000085569496	291064917	/nfs/dbraw/zinc/06/49/17/291064917.db2.gz	IEYZRXXFPOGRTP-LBPRGKRZSA-N	-1	0	370.357	2.653	1	0	biogenic,in-vitro	FFAFRM
CCOc1cccc2c1c([O-])c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000100815571	209219609	/nfs/dbraw/zinc/21/96/09/209219609.db2.gz	GDGRYVKBRBVFNO-UHFFFAOYSA-N	-1	0	352.390	2.919	1	0		FFAFRM
Nn1c(S[C@@H](C(=O)[O-])c2ccccc2)nc2c3ccccc3[nH]c2c1=O	ZINC000034648319	208104435	/nfs/dbraw/zinc/10/44/35/208104435.db2.gz	JWNSTORYMLUSCU-OAHLLOKOSA-N	-1	0	366.402	2.510	1	0		FFAFRM
CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000040873343	208271877	/nfs/dbraw/zinc/27/18/77/208271877.db2.gz	SLWSWKGGZQCLDU-VGMXOEHZSA-N	-1	0	373.449	2.846	1	0		FFAFRM
CCN1CCN(c2ccc3c(c2)n(C(C)(C)C)cc(C(=O)[O-])c3=O)CC1	ZINC000103280491	535747447	/nfs/dbraw/zinc/74/74/47/535747447.db2.gz	MWUSGAORMWWVMY-UHFFFAOYSA-N	-1	0	357.454	2.597	1	0		FFAFRM
O=C([O-])CCC[C@@H](O)/C=C\C=C\CC[C@@H](O)C/C=C\CCCCC(O)O	ZINC000085588758	571783737	/nfs/dbraw/zinc/78/37/37/571783737.db2.gz	BZDHSIPNZCHPKA-NSBXBVANSA-N	-1	0	370.486	2.673	1	0	endogenous,in-man	FFAFRM
O=C([O-])c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1c-3cccc1Cl	ZINC000149039752	209382654	/nfs/dbraw/zinc/38/26/54/209382654.db2.gz	DTSODUXPUAHUGN-UHFFFAOYSA-N	-1	0	361.762	2.693	1	0		FFAFRM
CC1(CCc2c([O-])c3cccnc3n(-c3ccccc3)c2=O)OCCO1	ZINC000100818137	209219499	/nfs/dbraw/zinc/21/94/99/209219499.db2.gz	LDDOPSZHXULJHU-UHFFFAOYSA-N	-1	0	352.390	2.787	1	0		FFAFRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000096916340	209161449	/nfs/dbraw/zinc/16/14/49/209161449.db2.gz	VQOKWGNGONANPR-SNVBAGLBSA-N	-1	0	351.384	2.629	1	0		FFAFRM
O=C([O-])c1c2ccccc2nc2c1CN(S(=O)(=O)c1ccccc1)CC2	ZINC000001502963	206886947	/nfs/dbraw/zinc/88/69/47/206886947.db2.gz	PJHPAOLOAWWDNK-UHFFFAOYSA-N	-1	0	368.414	2.680	1	0		FFAFRM
COc1cc(OC)c([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC	ZINC000004104069	207001429	/nfs/dbraw/zinc/00/14/29/207001429.db2.gz	RVSYJYUMWHPOMR-ROUUACIJSA-N	-1	0	371.389	2.708	3	0		FFAFRM
O=C([O-])CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1	ZINC000040835502	208270376	/nfs/dbraw/zinc/27/03/76/208270376.db2.gz	YOLHYLSTDAGJHM-OAHLLOKOSA-N	-1	0	358.785	2.836	1	0		FFAFRM
COC(=O)c1ccc(/C(=C\c2ccc(OC)c(OC)c2)C(=O)[O-])cc1O	ZINC000231491372	560035957	/nfs/dbraw/zinc/03/59/57/560035957.db2.gz	FIZFMQMREPLBIE-RIYZIHGNSA-N	-1	0	358.346	2.821	1	0	biogenic,in-vitro	FFAFRM
COc1cc([N-]S(=O)(=O)c2ccco2)ccc1-n1cnc(Cl)c1	ZINC000103235426	209249867	/nfs/dbraw/zinc/24/98/67/209249867.db2.gz	DGISPBIZWJJKJV-UHFFFAOYSA-N	-1	0	353.787	2.928	1	0		FFAFRM
O=C([O-])CCCc1nc(-c2ccc(I)cc2)no1	ZINC000096938652	209164232	/nfs/dbraw/zinc/16/42/32/209164232.db2.gz	LLBGUCZJOVFEKY-UHFFFAOYSA-N	-1	0	358.135	2.749	1	0		FFAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccccc1Cl	ZINC000007551132	207197577	/nfs/dbraw/zinc/19/75/77/207197577.db2.gz	CNNGSDCPEPMUQT-OAHLLOKOSA-N	-1	0	366.801	2.718	3	0		FFAFRM
O=C([O-])c1ccc(Cl)cc1O[C@H]1CC[C@H]2C[NH2+][C@H](C(=O)[O-])C[C@H]2C1	ZINC000034021933	208103307	/nfs/dbraw/zinc/10/33/07/208103307.db2.gz	QGSFJJZYZJZLHV-QPPBUOOMSA-N	-1	0	353.802	2.648	1	0		FFAFRM
CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000040873345	208273388	/nfs/dbraw/zinc/27/33/88/208273388.db2.gz	SLWSWKGGZQCLDU-WHHQMRSUSA-N	-1	0	373.449	2.846	1	0		FFAFRM
Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040934245	208274697	/nfs/dbraw/zinc/27/46/97/208274697.db2.gz	FJZHFJAPYBKZDN-UHFFFAOYSA-N	-1	0	351.362	2.772	1	0		FFAFRM
COc1cc(=O)c2c([O-])c(OC)c(-c3cc(OC)c(O)cc3O)oc-2c1	ZINC000014436487	220124632	/nfs/dbraw/zinc/12/46/32/220124632.db2.gz	FJFLYDSOXABNGE-UHFFFAOYSA-N	-1	0	360.318	2.603	1	0		FFAFRM
O=C([O-])c1cccc(S(=O)(=O)NNc2ccccc2C(F)(F)F)c1	ZINC000006510006	207143980	/nfs/dbraw/zinc/14/39/80/207143980.db2.gz	GMUMAVCSIIJVJM-UHFFFAOYSA-N	-1	0	360.313	2.709	3	0		FFAFRM
Cc1[nH]c(/C=C2/c3cc(NC(N)=O)ccc3NC2=O)c(C)c1CCC(=O)[O-]	ZINC000014962644	207533122	/nfs/dbraw/zinc/53/31/22/207533122.db2.gz	SNUCYAQWRAUYRP-ZSOIEALJSA-N	-1	0	368.393	2.632	1	0		FFAFRM
CC(C)(C)CCNC(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000035996402	208139274	/nfs/dbraw/zinc/13/92/74/208139274.db2.gz	KUTOSQWTZBPXJL-MRVPVSSYSA-N	-1	0	364.286	2.539	1	0		FFAFRM
CN1C(C(=O)Nc2ccccc2)=C([O-])c2cc(Cl)ccc2S1(=O)=O	ZINC000028111388	211478225	/nfs/dbraw/zinc/47/82/25/211478225.db2.gz	QJKMOSCHDZGADT-UHFFFAOYSA-N	-1	0	364.810	2.839	1	0		FFAFRM
O=C([O-])[C@H]1CN(c2ccccc2)C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1	ZINC000003781351	210492826	/nfs/dbraw/zinc/49/28/26/210492826.db2.gz	BDVFAVBKAXMDIW-OALUTQOASA-N	-1	0	374.396	2.686	1	0		FFAFRM
O=c1[nH]c(=S)nc2c(-c3ccc(I)cc3)c[n-]n21	ZINC000096922745	222140460	/nfs/dbraw/zinc/14/04/60/222140460.db2.gz	MEZPBXCMGYIWNV-UHFFFAOYSA-N	-1	0	370.175	2.764	1	0		FFAFRM
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)[O-])[C@@H]1CC[C@@H]2C(=O)CO	ZINC000085588996	574416692	/nfs/dbraw/zinc/41/66/92/574416692.db2.gz	RUPOMAOZPOVHQZ-AYUOOJHXSA-N	-1	0	360.450	2.761	1	0	endogenous,in-man	FFAFRM
CC(C)(O)[C@@H]1Cc2c(ccc(-c3coc4cc([O-])cc(O)c4c3=O)c2O)O1	ZINC000013864656	211063702	/nfs/dbraw/zinc/06/37/02/211063702.db2.gz	FEZXFNWSKGIOKM-INIZCTEOSA-N	-1	0	370.357	2.651	1	0		FFAFRM
COc1ccc(Cn2cc(-c3nnn[n-]3)c(=O)c3c(F)ccc(F)c32)cc1	ZINC000096906819	222137240	/nfs/dbraw/zinc/13/72/40/222137240.db2.gz	NUFKXKIFCVUJQB-UHFFFAOYSA-N	-1	0	369.331	2.517	1	0		FFAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@@H]3[C@@H]1CCC2=O	ZINC000085589133	571784273	/nfs/dbraw/zinc/78/42/73/571784273.db2.gz	QIJNCQNMZUTUIF-BKTMZONDSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CCC2=O	ZINC000261494709	571861575	/nfs/dbraw/zinc/86/15/75/571861575.db2.gz	DTMWSKSAMRZGQH-NXKACYDGSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
Cc1sc2nc(S[C@H](C(=O)[O-])c3ccccc3)n(N)c(=O)c2c1C	ZINC000038987155	211706521	/nfs/dbraw/zinc/70/65/21/211706521.db2.gz	QZDXSQCVDPXGBD-LBPRGKRZSA-N	-1	0	361.448	2.707	1	0		FFAFRM
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(C(=O)[O-])cc1	ZINC000029470281	211513790	/nfs/dbraw/zinc/51/37/90/211513790.db2.gz	GJEVDCKWFSTJNV-UHFFFAOYSA-N	-1	0	365.315	2.658	1	0		FFAFRM
C[C@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)[O-])c1ccccc1	ZINC000026382378	211446993	/nfs/dbraw/zinc/44/69/93/211446993.db2.gz	DWRFNATXFQHHDE-VBKZILBWSA-N	-1	0	352.390	2.756	1	0		FFAFRM
NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12	ZINC000013445819	211033944	/nfs/dbraw/zinc/03/39/44/211033944.db2.gz	KNJYWLTULWCZIK-UHFFFAOYSA-N	-1	0	366.417	2.961	1	0		FFAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1cccs1	ZINC000013125854	211024872	/nfs/dbraw/zinc/02/48/72/211024872.db2.gz	QYNAUKMWCMXPLJ-CQSZACIVSA-N	-1	0	352.412	2.516	3	0		FFAFRM
CC/C=C/C[C@@H](O)/C=C/[C@@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000012496559	210962038	/nfs/dbraw/zinc/96/20/38/210962038.db2.gz	OYPPJMLKAYYWHH-WMWYBTOLSA-N	-1	0	368.470	2.545	1	0	endogenous,in-man	FFAFRM
COc1c(C)c(O)c2c(c1C=O)O[C@@H](C)C(C(=O)c1ccccc1)=C2[O-]	ZINC000100804136	222254638	/nfs/dbraw/zinc/25/46/38/222254638.db2.gz	XOYBHGIKQQOETF-SMDDNHRTSA-N	-1	0	354.358	2.984	1	0	biogenic,in-vitro	FFAFRM
O=C([O-])C1=C(C=Cc2ccc(O)cc2)NC(=S)N[C@@H]1c1ccc(O)cc1	ZINC000103187825	222323069	/nfs/dbraw/zinc/32/30/69/222323069.db2.gz	ACOSXDAQEQNHHE-DFIVBLOKSA-N	-1	0	368.414	2.669	1	0		FFAFRM
COc1cccc(-c2cc(=O)c3c(O)c(OC)c([O-])c(OC)c3o2)c1OC	ZINC000014436574	291063093	/nfs/dbraw/zinc/06/30/93/291063093.db2.gz	DSNICWRJCXGVEE-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	biogenic,in-vitro	FFAFRM
O=C([O-])CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1	ZINC000040835500	211760841	/nfs/dbraw/zinc/76/08/41/211760841.db2.gz	YOLHYLSTDAGJHM-HNNXBMFYSA-N	-1	0	358.785	2.836	1	0		FFAFRM
CCCCC[C@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)[O-])cc1	ZINC000013974391	211066087	/nfs/dbraw/zinc/06/60/87/211066087.db2.gz	PAVYSSGJRYCIIJ-SFHVURJKSA-N	-1	0	362.470	2.708	1	0		FFAFRM
COc1ccc([C@@H](c2ccccc2)N2C(=O)CC[C@H]2C(=O)[O-])cc1OC	ZINC000001645050	210364432	/nfs/dbraw/zinc/36/44/32/210364432.db2.gz	AAAGUOJHUURVQP-HNAYVOBHSA-N	-1	0	355.390	2.869	1	0		FFAFRM
CCc1c(=O)n([O-])c(=O)n(Cc2ccc(F)cc2)c1Cc1ccccc1	ZINC000071329889	221344042	/nfs/dbraw/zinc/34/40/42/221344042.db2.gz	NIJJPYMTFZCIAO-UHFFFAOYSA-N	-1	0	354.381	2.588	1	0		FFAFRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@@H]3[C@@H]1CCC2=O	ZINC000085589135	571784266	/nfs/dbraw/zinc/78/42/66/571784266.db2.gz	QIJNCQNMZUTUIF-MMNXLFCMSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
O=C([O-])c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)cc1O	ZINC000013673945	220083585	/nfs/dbraw/zinc/08/35/85/220083585.db2.gz	GNCYCUKUNFCTIX-UHFFFAOYSA-N	-1	0	352.705	2.845	1	0		FFAFRM
O=C(OCCc1ccc(O)cc1)c1c(=O)[nH]c2cc(Cl)ccc2c1[O-]	ZINC000013833619	211061442	/nfs/dbraw/zinc/06/14/42/211061442.db2.gz	GYAYTPCUJVWNAU-UHFFFAOYSA-N	-1	0	359.765	2.992	1	0		FFAFRM
C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)c([O-])c1)C(F)(F)F	ZINC000013760212	211057583	/nfs/dbraw/zinc/05/75/83/211057583.db2.gz	UNUVKEQXOBHOEQ-MRXNPFEDSA-N	-1	0	353.296	2.875	1	0		FFAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-]	ZINC000013534683	211037667	/nfs/dbraw/zinc/03/76/67/211037667.db2.gz	INVXSBCIDABVMG-INIZCTEOSA-N	-1	0	351.399	2.880	1	0		FFAFRM
C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(=O)[O-])[C@]1([NH3+])C(=O)[O-])c1ccc2ccccc2c1	ZINC000013582247	211040767	/nfs/dbraw/zinc/04/07/67/211040767.db2.gz	ZXUNQFXSGBYNQK-HHYUCLALSA-N	-1	0	373.380	2.511	1	0		FFAFRM
COc1ccc([C@@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)[O-])cc1	ZINC000001645055	210363721	/nfs/dbraw/zinc/36/37/21/210363721.db2.gz	YETYHCXNYZFWAD-KXBFYZLASA-N	-1	0	369.373	2.589	1	0		FFAFRM
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC(=O)N2	ZINC000066112004	221241153	/nfs/dbraw/zinc/24/11/53/221241153.db2.gz	RTOLOOMAEZHAIS-CBZIJGRNSA-N	-1	0	365.451	2.593	1	0		FFAFRM
COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)[O-])oc23)cc1	ZINC000096271894	222107066	/nfs/dbraw/zinc/10/70/66/222107066.db2.gz	AUJZEJXAHZISEO-UHFFFAOYSA-N	-1	0	357.293	2.891	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OCCCCOc2ccc(c(F)c2)C(=O)N1	ZINC000103258342	222329088	/nfs/dbraw/zinc/32/90/88/222329088.db2.gz	DTOUJXKXZBWHJK-SFHVURJKSA-N	-1	0	373.380	2.803	1	0		FFAFRM
O=C([O-])CCCOc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1	ZINC000029335093	211510273	/nfs/dbraw/zinc/51/02/73/211510273.db2.gz	CSZCXZOWWYGHQG-UHFFFAOYSA-N	-1	0	353.374	2.769	1	0		FFAFRM
Cc1c(CC(N)=O)c2cc(OCCC(=O)[O-])ccc2n1Cc1ccccc1	ZINC000013445831	211033529	/nfs/dbraw/zinc/03/35/29/211033529.db2.gz	ABTRNWUUJBQDHM-UHFFFAOYSA-N	-1	0	366.417	2.879	1	0		FFAFRM
COc1cccc2c1c([O-])c(C(=O)N(C)c1ccccc1F)c(=O)n2C	ZINC000100815688	222254580	/nfs/dbraw/zinc/25/45/80/222254580.db2.gz	XIXQRUYOXNDRRP-UHFFFAOYSA-N	-1	0	356.353	2.668	1	0		FFAFRM
C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@H]1CCC2=O	ZINC000261494708	571861508	/nfs/dbraw/zinc/86/15/08/571861508.db2.gz	DTMWSKSAMRZGQH-LFPKGMGHSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
COc1cc(-c2oc3cc4c(c(=O)c-3c([O-])c2OC)OCO4)ccc1O	ZINC000014436923	574413380	/nfs/dbraw/zinc/41/33/80/574413380.db2.gz	QDUQFPNXGXDSQJ-UHFFFAOYSA-N	-1	0	358.302	2.617	1	0	endogenous,in-man	FFAFRM
CC(=O)NCn1cc(-c2ccc(-c3ccc(F)c(C(=O)[O-])c3)cc2)c(=O)o1	ZINC000028524501	211492177	/nfs/dbraw/zinc/49/21/77/211492177.db2.gz	QKJSGXSGUAXFGE-UHFFFAOYSA-N	-1	0	370.336	2.706	1	0		FFAFRM
[NH3+][C@@](CC(Cc1ccccc1)Cc1ccccc1)(C(=O)[O-])[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000027107475	211459727	/nfs/dbraw/zinc/45/97/27/211459727.db2.gz	IVCCJQSSJYEWAF-NNMXDRDESA-N	-1	0	367.445	2.981	1	0		FFAFRM
Cc1c(CC(N)=O)c2cc(NCCC(=O)[O-])ccc2n1Cc1ccccc1	ZINC000013446146	211034515	/nfs/dbraw/zinc/03/45/15/211034515.db2.gz	LOMVGGZBOOQGAI-UHFFFAOYSA-N	-1	0	365.433	2.912	1	0		FFAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3)co2)c(=O)c2ccccc12	ZINC000013449061	211033867	/nfs/dbraw/zinc/03/38/67/211033867.db2.gz	AFSHTMJTTJSZHQ-UHFFFAOYSA-N	-1	0	361.357	2.727	1	0		FFAFRM
Cn1cc2cc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)ccc2n1	ZINC000071418556	221347185	/nfs/dbraw/zinc/34/71/85/221347185.db2.gz	KDEYNBKAOJCRCD-UHFFFAOYSA-N	-1	0	351.337	2.774	1	0		FFAFRM
CCN(C(=O)c1c([O-])c2c3c(ccc2n(C)c1=O)OCO3)c1ccccc1	ZINC000100817529	222253634	/nfs/dbraw/zinc/25/36/34/222253634.db2.gz	UODJYZJOKPIRKX-UHFFFAOYSA-N	-1	0	366.373	2.640	1	0		FFAFRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nnc(-c2ccccc2Cl)s1	ZINC000103284969	222332667	/nfs/dbraw/zinc/33/26/67/222332667.db2.gz	BIBXOLJIONCAKX-MRVPVSSYSA-N	-1	0	368.827	2.539	1	0		FFAFRM
CCc1csc(Sc2cc3c(cc2[N-]S(C)(=O)=O)COC3=O)n1	ZINC000000601833	581094364	/nfs/dbraw/zinc/09/43/64/581094364.db2.gz	FVASPVMUIHTHCA-UHFFFAOYSA-N	-1	0	370.477	2.899	1	0		FFAFRM
COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])c(OC)c3o2)cc1OC	ZINC000001635008	210226214	/nfs/dbraw/zinc/22/62/14/210226214.db2.gz	QCOSAYZZNVASNN-UHFFFAOYSA-N	-1	0	374.345	2.906	1	0	endogenous,in-man	FFAFRM
CC1(C)Oc2ccc(-c3coc4cc([O-])cc(O)c4c3=O)cc2C[C@@H]1O	ZINC000015215982	210181574	/nfs/dbraw/zinc/18/15/74/210181574.db2.gz	HUHGGORLMLOUCC-KRWDZBQOSA-N	-1	0	354.358	2.946	1	0		FFAFRM
Cc1c([O-])c2c(O)c(Cc3ccc4c(c3O)OCO4)coc-2c(C)c1=O	ZINC000013485149	291064261	/nfs/dbraw/zinc/06/42/61/291064261.db2.gz	ILSFEHDRJCUFAT-UHFFFAOYSA-N	-1	0	356.330	2.846	1	0	biogenic,in-vitro	FFAFRM
CC(=O)Nc1ccc(/C(=C/c2ccc(S(C)(=O)=O)cc2)C(=O)[O-])cc1	ZINC000045394575	211817126	/nfs/dbraw/zinc/81/71/26/211817126.db2.gz	LPCXGKFEWGKXLZ-BOPFTXTBSA-N	-1	0	359.403	2.674	1	0		FFAFRM
CC(C)S(=O)(=O)c1c2ccccc2c(=O)n(Cc2ccccc2)c1[O-]	ZINC000036126896	211656692	/nfs/dbraw/zinc/65/66/92/211656692.db2.gz	GDCOKFHRGLVSMN-UHFFFAOYSA-N	-1	0	357.431	2.938	1	0		FFAFRM
O=C([O-])c1cc(CN2CCc3cc(F)ccc3C2)c2ccccn2c1=O	ZINC000066076961	221240285	/nfs/dbraw/zinc/24/02/85/221240285.db2.gz	PAABTYXCDZEAFE-UHFFFAOYSA-N	-1	0	352.365	2.695	1	0		FFAFRM
COc1cc(OC)nc(Oc2ccc(Br)cc2C(=O)[O-])n1	ZINC000103190545	222323289	/nfs/dbraw/zinc/32/32/89/222323289.db2.gz	VBQMYESVCNAXKQ-UHFFFAOYSA-N	-1	0	355.144	2.747	1	0		FFAFRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@H]3[C@@H]1CCC2=O	ZINC000085589142	571784164	/nfs/dbraw/zinc/78/41/64/571784164.db2.gz	QIJNCQNMZUTUIF-WKZPIUISSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000100770152	571813073	/nfs/dbraw/zinc/81/30/73/571813073.db2.gz	AOPOCGPBAIARAV-HATXYAKXSA-N	-1	0	350.455	2.905	1	0	endogenous,in-man	FFAFRM
COc1ccc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@@H]2C(=O)[O-])cc1	ZINC000001645054	219413857	/nfs/dbraw/zinc/41/38/57/219413857.db2.gz	YETYHCXNYZFWAD-DNVCBOLYSA-N	-1	0	369.373	2.589	1	0		FFAFRM
O=C([O-])CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000013765898	220093945	/nfs/dbraw/zinc/09/39/45/220093945.db2.gz	AGRAPFFXIAIYEB-UHFFFAOYSA-N	-1	0	367.854	2.878	1	0		FFAFRM
CC(C)c1cccc(C(=O)[O-])c1SCCn1cnc2c1NC=NC[C@H]2O	ZINC000013807524	220096248	/nfs/dbraw/zinc/09/62/48/220096248.db2.gz	DVADQLJWEGAWJS-CQSZACIVSA-N	-1	0	374.466	2.984	1	0		FFAFRM
O=C(C=C([O-])c1ccc(OCc2ccc(Cl)cc2)cc1)c1nnn[n-]1	ZINC000103139701	222322131	/nfs/dbraw/zinc/32/21/31/222322131.db2.gz	ZATIWCGJQLLLRE-UHFFFAOYSA-N	-1	0	356.769	2.888	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OC/C=C/COc2cccc(F)c2C(=O)N1	ZINC000103259020	222329782	/nfs/dbraw/zinc/32/97/82/222329782.db2.gz	ZTHWPJIQTINHPT-PYKQWIPUSA-N	-1	0	371.364	2.579	1	0		FFAFRM
CC[C@H](O)COc1cc([O-])cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12	ZINC000085569494	291059945	/nfs/dbraw/zinc/05/99/45/291059945.db2.gz	KRKUEWHVDHGJJR-NSHDSACASA-N	-1	0	358.346	2.727	1	0	biogenic,in-vitro	FFAFRM
CCO[C@H]1OC(C(=O)[O-])=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO	ZINC000013118542	220059127	/nfs/dbraw/zinc/05/91/27/220059127.db2.gz	JIUSYCFPERALRA-HKMRUAMVSA-N	-1	0	374.389	2.627	3	0		FFAFRM
Cc1cccc2c(CC(=O)[O-])nn(Cc3nc4ccccc4s3)c(=O)c12	ZINC000013860795	220098645	/nfs/dbraw/zinc/09/86/45/220098645.db2.gz	WOXIJHKGPIBWIU-UHFFFAOYSA-N	-1	0	365.414	2.990	1	0		FFAFRM
CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1OC	ZINC000014965059	220137718	/nfs/dbraw/zinc/13/77/18/220137718.db2.gz	GIQOHHPCEJVZLQ-UHFFFAOYSA-N	-1	0	353.371	2.896	1	0		FFAFRM
COc1ccc(CNC(=O)Nc2ccc3ccc(C(=O)[O-])c(O)c3n2)cc1	ZINC000026491306	220516914	/nfs/dbraw/zinc/51/69/14/220516914.db2.gz	OMFUJBKZZVPIIG-UHFFFAOYSA-N	-1	0	367.361	2.969	1	0		FFAFRM
O=C([O-])C1=C(C=Cc2ccc(O)cc2)NC(=S)N[C@H]1c1ccc(O)cc1	ZINC000103187823	222323255	/nfs/dbraw/zinc/32/32/55/222323255.db2.gz	ACOSXDAQEQNHHE-QYSIDVQXSA-N	-1	0	368.414	2.669	1	0		FFAFRM
NC(=O)c1nc(-c2ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc2)cnc1N	ZINC000101581754	222278286	/nfs/dbraw/zinc/27/82/86/222278286.db2.gz	YJXPILYYRNJCFH-TXEJJXNPSA-N	-1	0	354.410	2.573	1	0		FFAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])c(O)c4CC[C@H]3[C@@H]1CCC2=O	ZINC000085589139	571784236	/nfs/dbraw/zinc/78/42/36/571784236.db2.gz	QIJNCQNMZUTUIF-LSIMKLPESA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
Cc1ccnn1-c1ccc(Cn2cc(C(=O)[O-])c(=O)c3cccnc32)cc1	ZINC000049070613	221019752	/nfs/dbraw/zinc/01/97/52/221019752.db2.gz	HHIKSUGMZSRONC-UHFFFAOYSA-N	-1	0	360.373	2.637	1	0		FFAFRM
Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000027552395	132916699	/nfs/dbraw/zinc/91/66/99/132916699.db2.gz	SHNRRTSPZBPXFF-TXEJJXNPSA-N	-1	0	356.422	2.957	1	0		FFAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1Cl	ZINC000007551131	219809537	/nfs/dbraw/zinc/80/95/37/219809537.db2.gz	CNNGSDCPEPMUQT-HNNXBMFYSA-N	-1	0	366.801	2.718	3	0		FFAFRM
CCO[C@@H]1OC(C(=O)[O-])=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO	ZINC000013118620	220058705	/nfs/dbraw/zinc/05/87/05/220058705.db2.gz	JIUSYCFPERALRA-TUXXCZFBSA-N	-1	0	374.389	2.627	3	0		FFAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2/C=C/C(=O)[O-])n1Cc1ccccc1	ZINC000013446158	220068247	/nfs/dbraw/zinc/06/82/47/220068247.db2.gz	SJWCGAHRKDSEKC-ZHACJKMWSA-N	-1	0	362.385	2.764	1	0		FFAFRM
C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(=O)[O-])[C@]1([NH3+])C(=O)[O-])c1ccc2ccccc2c1	ZINC000013582245	220076026	/nfs/dbraw/zinc/07/60/26/220076026.db2.gz	ZXUNQFXSGBYNQK-ZJUFNADFSA-N	-1	0	373.380	2.511	1	0		FFAFRM
O=C([O-])c1ccc(CNC(=O)NC(=O)c2ccc(F)cc2Cl)cc1	ZINC000013673958	220083370	/nfs/dbraw/zinc/08/33/70/220083370.db2.gz	PZMBCUZMIAHNNV-UHFFFAOYSA-N	-1	0	350.733	2.817	1	0		FFAFRM
CSc1ccc(C(=O)c2ccc(-n3ncc(=O)[n-]c3=O)cc2Cl)cc1	ZINC000025962743	220498981	/nfs/dbraw/zinc/49/89/81/220498981.db2.gz	AHSGSKZYZFQYPJ-UHFFFAOYSA-N	-1	0	373.821	2.527	1	0		FFAFRM
Cc1cn(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4cccnc43)cc2)cn1	ZINC000049071835	221019590	/nfs/dbraw/zinc/01/95/90/221019590.db2.gz	VXFLYKWETSEHQD-UHFFFAOYSA-N	-1	0	360.373	2.637	1	0		FFAFRM
O=C([O-])c1cn(Cc2ccc3c(c2)OCCO3)c2cccc(F)c2c1=O	ZINC000068204772	221314675	/nfs/dbraw/zinc/31/46/75/221314675.db2.gz	GEXINFOASJVLLZ-UHFFFAOYSA-N	-1	0	355.321	2.658	1	0		FFAFRM
O=C([O-])c1cn(Cc2ccc3c(c2)CC[C@H]3O)c2cccc(F)c2c1=O	ZINC000071341533	221345516	/nfs/dbraw/zinc/34/55/16/221345516.db2.gz	AUISFPQBEJOBIF-QGZVFWFLSA-N	-1	0	353.349	2.867	1	0		FFAFRM
C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000085589009	571784255	/nfs/dbraw/zinc/78/42/55/571784255.db2.gz	DTMWSKSAMRZGQH-XBPIAWKYSA-N	-1	0	366.435	2.999	1	0	endogenous,world	FFAFRM
CC(C)(O)[C@H]1Cc2c(ccc(-c3coc4cc([O-])cc(O)c4c3=O)c2O)O1	ZINC000013864657	220098603	/nfs/dbraw/zinc/09/86/03/220098603.db2.gz	FEZXFNWSKGIOKM-MRXNPFEDSA-N	-1	0	370.357	2.651	1	0		FFAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CCCO2)C(=O)[O-])cc1	ZINC000013442214	220066806	/nfs/dbraw/zinc/06/68/06/220066806.db2.gz	QCSCWVKEGWWYHS-PKOBYXMFSA-N	-1	0	369.417	2.653	1	0		FFAFRM
Cn1c(COc2cccc(NC(=O)CCC(=O)[O-])c2)nc2ccccc21	ZINC000027324914	220531665	/nfs/dbraw/zinc/53/16/65/220531665.db2.gz	QDAAMROHHXQAFA-UHFFFAOYSA-N	-1	0	353.378	2.956	1	0		FFAFRM
O=C([O-])c1ccccc1NC(=O)CCc1cnn(-c2ccc(O)cc2)c1	ZINC000049048762	221017627	/nfs/dbraw/zinc/01/76/27/221017627.db2.gz	FBXVAXQTVWDBLY-UHFFFAOYSA-N	-1	0	351.362	2.847	1	0		FFAFRM
COc1cccc(N(C)C(=O)c2c([O-])c3c(OC)cccc3n(C)c2=O)c1	ZINC000100812821	222254095	/nfs/dbraw/zinc/25/40/95/222254095.db2.gz	FBMNFDOCALPCOM-UHFFFAOYSA-N	-1	0	368.389	2.538	1	0		FFAFRM
O=C([O-])[C@@H]1CCCN1C(=O)c1cnc2cc(C(F)(F)F)ccc2c1O	ZINC000103184513	222323424	/nfs/dbraw/zinc/32/34/24/222323424.db2.gz	NGXFDFZHSQBTRM-LBPRGKRZSA-N	-1	0	354.284	2.648	1	0		FFAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000013470797	220068763	/nfs/dbraw/zinc/06/87/63/220068763.db2.gz	QNOXOSSKCFUIER-QMMMGPOBSA-N	-1	0	359.250	2.808	3	0		FFAFRM
Cc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)[O-])c3c2)cc1	ZINC000095572256	221961849	/nfs/dbraw/zinc/96/18/49/221961849.db2.gz	KKOXITMCURSUOL-UHFFFAOYSA-N	-1	0	366.377	2.935	1	0		FFAFRM
O=C([O-])[C@@H]1Cc2cccc(c2)OCCCCOc2cccc(c2)C(=O)N1	ZINC000103258328	222329755	/nfs/dbraw/zinc/32/97/55/222329755.db2.gz	QBYRJXAAARBVOB-SFHVURJKSA-N	-1	0	355.390	2.664	1	0		FFAFRM
CCN1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(C4CCC4)c3c2)CC1	ZINC000103282378	535748929	/nfs/dbraw/zinc/74/89/29/535748929.db2.gz	CWZYCFCOCREQRX-UHFFFAOYSA-N	-1	0	355.438	2.567	1	0		FFAFRM
COc1ccc(CN2[C@@H](CC(=O)[O-])c3cc(F)ccc3S2(=O)=O)cc1	ZINC000012478969	220000007	/nfs/dbraw/zinc/00/00/07/220000007.db2.gz	CAEAAXPSYFUVJL-HNNXBMFYSA-N	-1	0	365.382	2.555	3	0		FFAFRM
COc1ccccc1C1=C(Nc2ccc(Cl)c(C(=O)[O-])c2)C(=O)NC1=O	ZINC000027711196	220544518	/nfs/dbraw/zinc/54/45/18/220544518.db2.gz	ZCDCDODUUZUISA-UHFFFAOYSA-N	-1	0	372.764	2.526	1	0		FFAFRM
Cc1c([C@@H]2NS(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000049054394	221017963	/nfs/dbraw/zinc/01/79/63/221017963.db2.gz	ULJBQIKLGBOHGM-GOSISDBHSA-N	-1	0	374.393	2.555	1	0		FFAFRM
O=C([O-])c1cn(Cc2ccc(-n3ccnc3)cc2)c2ccsc2c1=O	ZINC000049072029	221018663	/nfs/dbraw/zinc/01/86/63/221018663.db2.gz	WIWJJEQYHCZEJN-UHFFFAOYSA-N	-1	0	351.387	2.995	1	0		FFAFRM
COc1ccc(/C=C(/C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)cc1OC	ZINC000066078636	221240111	/nfs/dbraw/zinc/24/01/11/221240111.db2.gz	HYEGWFWKMIESPG-XNTDXEJSSA-N	-1	0	362.403	2.733	1	0		FFAFRM