smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cn1	ZINC000128252440	958650749	/nfs/dbraw/zinc/65/07/49/958650749.db2.gz	DILXNUIIPNYTNU-UHFFFAOYSA-N	-2	0	358.173	1.738	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]Cc2sccc2Br)on1	ZINC000315779865	963935237	/nfs/dbraw/zinc/93/52/37/963935237.db2.gz	LSBXVDLSNMLEDR-UHFFFAOYSA-N	-2	0	367.202	1.675	10	0		FDAERL
C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315938296	963955641	/nfs/dbraw/zinc/95/56/41/963955641.db2.gz	IOJDPRSXZUZYAG-SMDDNHRTSA-N	-2	0	365.411	1.172	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)c1	ZINC000102312516	205972618	/nfs/dbraw/zinc/97/26/18/205972618.db2.gz	VRHXNTKMXMVEFH-CQSZACIVSA-N	-2	0	372.308	1.966	10	0		FDAERL
Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC000380566817	678768550	/nfs/dbraw/zinc/76/85/50/678768550.db2.gz	HGBFHYINXAITGU-UHFFFAOYSA-N	-2	0	360.189	1.980	10	0		FDAERL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cc(F)ccc1Br	ZINC000232210208	960253289	/nfs/dbraw/zinc/25/32/89/960253289.db2.gz	UQXNTDHDMKPCSZ-UHFFFAOYSA-N	-2	0	364.152	1.810	10	0		FDAERL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000006007265	204233473	/nfs/dbraw/zinc/23/34/73/204233473.db2.gz	GSPDHQZKFVPSPS-HWKANZROSA-N	-2	0	369.395	1.278	10	0		FDAERL
C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN(Cc2ccccc2)C1	ZINC000405982926	973913872	/nfs/dbraw/zinc/91/38/72/973913872.db2.gz	RMFLOBNQJMXFET-INIZCTEOSA-N	-2	0	365.411	1.316	10	0		FDAERL
Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000036961264	205023996	/nfs/dbraw/zinc/02/39/96/205023996.db2.gz	PWBBYMVFNXBBFU-UHFFFAOYSA-N	-2	0	366.218	1.743	10	0		FDAERL
O=C([O-])CCc1cc2n(n1)CCCN(c1nc3c(cc1C(=O)[O-])CCC3)C2	ZINC000072481037	522305378	/nfs/dbraw/zinc/30/53/78/522305378.db2.gz	XVXXADDIVWLUPQ-UHFFFAOYSA-N	-2	0	370.409	1.893	10	0		FDAERL
C[C@H](O)COC[C@H](COC[C@@H](C)/C=C/C(=O)[O-])OC[C@@H](C)/C=C/C(=O)[O-]	ZINC000263584368	537047793	/nfs/dbraw/zinc/04/77/93/537047793.db2.gz	RBRODUAWCHJULQ-GJHAQJSTSA-N	-2	0	374.430	1.339	10	0		FDAERL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)s1	ZINC000381161693	971743481	/nfs/dbraw/zinc/74/34/81/971743481.db2.gz	RMBVMEVYPVIQNZ-UHFFFAOYSA-N	-2	0	352.191	1.733	10	0		FDAERL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(F)(F)F	ZINC000389277403	972216326	/nfs/dbraw/zinc/21/63/26/972216326.db2.gz	PVKQYINZSJYVOS-GSVOUGTGSA-N	-2	0	366.111	1.969	10	0		FDAERL
C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315938293	963955997	/nfs/dbraw/zinc/95/59/97/963955997.db2.gz	IOJDPRSXZUZYAG-FZMZJTMJSA-N	-2	0	365.411	1.172	10	0		FDAERL
O=C([O-])CCCC(F)(F)[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCC(=O)[O-]	ZINC000065740400	205361568	/nfs/dbraw/zinc/36/15/68/205361568.db2.gz	UNGXSHHHKITVHD-PRULPYPASA-N	-2	0	366.357	1.449	10	0	in-vitro	FDAERL
Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])sc1Br	ZINC000310825556	963437307	/nfs/dbraw/zinc/43/73/07/963437307.db2.gz	KRDSRFSGBGKMPY-UHFFFAOYSA-N	-2	0	364.189	1.817	10	0		FDAERL
Cc1oc(C)c(S(=O)(=O)[N-]c2n[nH]cc2Br)c1C(=O)[O-]	ZINC000380203756	971684916	/nfs/dbraw/zinc/68/49/16/971684916.db2.gz	FMORRMHMUXYKED-UHFFFAOYSA-N	-2	0	364.177	1.881	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Br)o2)on1	ZINC000315352496	963887842	/nfs/dbraw/zinc/88/78/42/963887842.db2.gz	HJHVXPPQQDXQBH-UHFFFAOYSA-N	-2	0	351.134	1.207	10	0		FDAERL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1	ZINC000261998694	178654481	/nfs/dbraw/zinc/65/44/81/178654481.db2.gz	DJNCMOBJRVMVOK-OLZOCXBDSA-N	-2	0	352.412	1.241	10	0		FDAERL
Cn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])cn1	ZINC000037742587	519631629	/nfs/dbraw/zinc/63/16/29/519631629.db2.gz	VXRXKRCCDZJENO-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
Cn1nccc1S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-]	ZINC000122150315	524463530	/nfs/dbraw/zinc/46/35/30/524463530.db2.gz	VFENGRBHVABULX-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1Cc1ccccc1	ZINC000316289022	963999226	/nfs/dbraw/zinc/99/92/26/963999226.db2.gz	UWUIGNBKCBVZHR-YPMHNXCESA-N	-2	0	365.411	1.314	10	0		FDAERL
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000170551010	970309135	/nfs/dbraw/zinc/30/91/35/970309135.db2.gz	FVVPQNWVJYXPJR-UHFFFAOYSA-N	-2	0	353.356	1.096	10	0		FDAERL
Nc1ccc(C(=O)Nc2cc(S(=O)(=O)[O-])cc(C(=O)[O-])c2O)cc1	ZINC000005420714	204207989	/nfs/dbraw/zinc/20/79/89/204207989.db2.gz	DSANWMATXAFGTP-UHFFFAOYSA-N	-2	0	352.324	1.172	10	0		FDAERL
CN(CCCCCCCCN(C)C(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-]	ZINC000584600476	551523651	/nfs/dbraw/zinc/52/36/51/551523651.db2.gz	GERMIXAPBINQAY-UHFFFAOYSA-N	-2	0	372.462	1.973	10	0		FDAERL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CC(F)(F)Br)c1	ZINC000312033032	963530241	/nfs/dbraw/zinc/53/02/41/963530241.db2.gz	ZOXONBKCBPSDOH-UHFFFAOYSA-N	-2	0	362.123	1.790	10	0		FDAERL
CCOC(=O)c1cc(=O)n(-c2c(C)cc(S(=O)(=O)[O-])cc2Cl)[n-]1	ZINC000059519984	208589814	/nfs/dbraw/zinc/58/98/14/208589814.db2.gz	CQMSTBUMHDXYQW-UHFFFAOYSA-N	-2	0	360.775	1.551	10	0		FDAERL
O=C([O-])c1cccc(CS(=O)(=O)[N-]CC(F)(F)Br)c1	ZINC000381904235	971787187	/nfs/dbraw/zinc/78/71/87/971787187.db2.gz	RUUVUHQNMIOVSD-UHFFFAOYSA-N	-2	0	358.160	1.792	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Br)s2)c[nH]1	ZINC000037425356	208179879	/nfs/dbraw/zinc/17/98/79/208179879.db2.gz	SAHOLJZHBLOAIX-UHFFFAOYSA-N	-2	0	352.191	1.733	10	0		FDAERL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(F)(F)F	ZINC000389277405	972216012	/nfs/dbraw/zinc/21/60/12/972216012.db2.gz	PVKQYINZSJYVOS-VKHMYHEASA-N	-2	0	366.111	1.969	10	0		FDAERL
C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1Cc1ccccc1	ZINC000316289020	963999325	/nfs/dbraw/zinc/99/93/25/963999325.db2.gz	UWUIGNBKCBVZHR-WCQYABFASA-N	-2	0	365.411	1.314	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]CCCCOCc2ccccc2)on1	ZINC000315938285	963955373	/nfs/dbraw/zinc/95/53/73/963955373.db2.gz	IOGRCGVCKXOYDL-UHFFFAOYSA-N	-2	0	354.384	1.648	10	0		FDAERL
CCC[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-]	ZINC000262393842	672782283	/nfs/dbraw/zinc/78/22/83/672782283.db2.gz	SHVJZYQZKNIUJU-SNVBAGLBSA-N	-2	0	374.415	1.058	10	0		FDAERL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)Br)c(F)c1	ZINC000388963073	972201159	/nfs/dbraw/zinc/20/11/59/972201159.db2.gz	TXLAMQBTPPVFEF-UHFFFAOYSA-N	-2	0	362.123	1.790	10	0		FDAERL
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(O)c(S(=O)(=O)[O-])c2)cc1	ZINC000031425170	263392033	/nfs/dbraw/zinc/39/20/33/263392033.db2.gz	PNWCRNBMOFREFL-UHFFFAOYSA-N	-2	0	374.348	1.105	10	0		FDAERL
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](COP(=O)([O-])[O-])C2)c(NC2CC2)n1	ZINC000065733846	210098837	/nfs/dbraw/zinc/09/88/37/210098837.db2.gz	YQBOXVWMECPEJS-PSASIEDQSA-N	-2	0	366.318	1.209	10	0		FDAERL
Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1	ZINC000055329575	211945980	/nfs/dbraw/zinc/94/59/80/211945980.db2.gz	XLRDEORUJLSYSM-UHFFFAOYSA-N	-2	0	350.150	1.275	10	0		FDAERL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1	ZINC000262036850	178661616	/nfs/dbraw/zinc/66/16/16/178661616.db2.gz	HIMWPEYUGMGNAJ-OLZOCXBDSA-N	-2	0	370.402	1.380	10	0		FDAERL
Nc1cc(C(=O)[O-])cc(S(N)(=O)=O)c1Nc1ccc(C(=O)[O-])cc1	ZINC000140548365	524316138	/nfs/dbraw/zinc/31/61/38/524316138.db2.gz	DHVDDXYJJCTSGR-UHFFFAOYSA-N	-2	0	351.340	1.056	10	0		FDAERL
O=C([O-])c1ccc(CS(=O)(=O)[N-]CC(F)(F)Br)cc1	ZINC000311809740	963513438	/nfs/dbraw/zinc/51/34/38/963513438.db2.gz	GHMBEELZMYGXGW-UHFFFAOYSA-N	-2	0	358.160	1.792	10	0		FDAERL
O=C([O-])CN(CCN(CC(=O)[O-])c1ccccc1O)c1ccccc1O	ZINC000028238802	210243689	/nfs/dbraw/zinc/24/36/89/210243689.db2.gz	YFMDCHTYRWCFRZ-UHFFFAOYSA-N	-2	0	360.366	1.580	10	0		FDAERL
CN(c1ccccc1)[C@H]1CC(=O)N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C1=O	ZINC000016902192	211171877	/nfs/dbraw/zinc/17/18/77/211171877.db2.gz	HWBOZQATEOIYPT-HNNXBMFYSA-N	-2	0	368.345	1.851	10	0		FDAERL
Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-]	ZINC000037742606	519631680	/nfs/dbraw/zinc/63/16/80/519631680.db2.gz	PWHIWNWYRCVUHM-UHFFFAOYSA-N	-2	0	360.189	1.980	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(C(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000113608046	524704744	/nfs/dbraw/zinc/70/47/44/524704744.db2.gz	NDEURWFVDGQGAG-UHFFFAOYSA-N	-4	0	358.258	1.710	10	0		FDAERL
O=C([O-])C[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-]	ZINC000005129056	571112354	/nfs/dbraw/zinc/11/23/54/571112354.db2.gz	LKCUAKZFJNLSOC-MRVPVSSYSA-N	-2	0	354.409	1.883	10	0		FDAERL
Cc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])ncc1Br	ZINC000125953371	958574487	/nfs/dbraw/zinc/57/44/87/958574487.db2.gz	FYFDKKDWPGYVFN-UHFFFAOYSA-N	-2	0	361.177	1.375	10	0		FDAERL
Cn1cc(S(=O)(=O)[N-]c2cncc(Br)c2)cc1C(=O)[O-]	ZINC000312191547	963543525	/nfs/dbraw/zinc/54/35/25/963543525.db2.gz	PEKFENKICIGAGW-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCN2Cc2ccccc2)on1	ZINC000316298334	964000605	/nfs/dbraw/zinc/00/06/05/964000605.db2.gz	VUVLAVLXLFLCLO-CYBMUJFWSA-N	-2	0	365.411	1.316	10	0		FDAERL
O=C(CN1CCC[C@@H](C(=O)[O-])C1)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000020342402	211277708	/nfs/dbraw/zinc/27/77/08/211277708.db2.gz	GPHFLZQEDNWIQI-SECBINFHSA-N	-2	0	352.412	1.670	10	0		FDAERL
Cc1ccc2c(c1)C(C[C@H]1CN(C(=O)C(=O)[O-])CC[C@H]1CC(=O)[O-])=NCC2	ZINC000067878737	523618159	/nfs/dbraw/zinc/61/81/59/523618159.db2.gz	ROYAORIPOOHLHR-GJZGRUSLSA-N	-2	0	372.421	1.754	10	0		FDAERL
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])C[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C	ZINC000606303260	554056010	/nfs/dbraw/zinc/05/60/10/554056010.db2.gz	CNRQZGFWWKHASY-DTORHVGOSA-N	-2	0	360.363	1.686	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnn2)ccc1Br	ZINC000227882941	959974459	/nfs/dbraw/zinc/97/44/59/959974459.db2.gz	DEKIMLPXQLKRFY-UHFFFAOYSA-N	-2	0	358.173	1.738	10	0		FDAERL
O=C([O-])c1ncsc1S(=O)(=O)[N-]c1n[nH]cc1Br	ZINC000311196061	963467665	/nfs/dbraw/zinc/46/76/65/963467665.db2.gz	ICIHKOSFUUQQDM-UHFFFAOYSA-N	-2	0	353.179	1.128	10	0		FDAERL
O=C([O-])[C@H](OC(=O)c1cccs1)[C@@H](OC(=O)c1cccs1)C(=O)[O-]	ZINC000013475487	211035518	/nfs/dbraw/zinc/03/55/18/211035518.db2.gz	GZXUXDFBGBTQSV-NXEZZACHSA-N	-2	0	370.360	1.730	10	0		FDAERL
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CN1Cc1ccccc1	ZINC000398103571	973069315	/nfs/dbraw/zinc/06/93/15/973069315.db2.gz	LROQNBWPRLWOES-AAEUAGOBSA-N	-2	0	365.411	1.314	10	0		FDAERL
Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Br	ZINC000034957452	519600311	/nfs/dbraw/zinc/60/03/11/519600311.db2.gz	HPFIGKXXTKZSQK-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000262951801	536947005	/nfs/dbraw/zinc/94/70/05/536947005.db2.gz	OSFPNOOCHCSMDE-HNNXBMFYSA-N	-2	0	362.382	1.313	10	0		FDAERL
CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000262951808	536947089	/nfs/dbraw/zinc/94/70/89/536947089.db2.gz	OSFPNOOCHCSMDE-OAHLLOKOSA-N	-2	0	362.382	1.313	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](Cc3ccccc3)C2)on1	ZINC000316282213	963998582	/nfs/dbraw/zinc/99/85/82/963998582.db2.gz	UDZHMDMLYWTUFF-CYBMUJFWSA-N	-2	0	365.411	1.173	10	0		FDAERL
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CN1Cc1ccccc1	ZINC000398103573	973069748	/nfs/dbraw/zinc/06/97/48/973069748.db2.gz	LROQNBWPRLWOES-WCQYABFASA-N	-2	0	365.411	1.314	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3cccc(O)c3)C2=O)c1	ZINC000102312412	222294234	/nfs/dbraw/zinc/29/42/34/222294234.db2.gz	YFTYQTVSAIAJEW-CQSZACIVSA-N	-2	0	370.317	1.533	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc[nH]2)c(Br)s1	ZINC000104340690	222355161	/nfs/dbraw/zinc/35/51/61/222355161.db2.gz	REYGRDCIDLZMHD-UHFFFAOYSA-N	-2	0	353.179	1.128	10	0		FDAERL
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	ZINC000263549021	672882040	/nfs/dbraw/zinc/88/20/40/672882040.db2.gz	JIAJMANMNNKDIT-RKDXNWHRSA-N	-2	0	363.354	1.289	10	0		FDAERL
CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000263018940	536961023	/nfs/dbraw/zinc/96/10/23/536961023.db2.gz	ZRVZXDNIPJOHKY-OAHLLOKOSA-N	-2	0	362.382	1.313	10	0		FDAERL
Cc1oc(CNC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1C(=O)[O-]	ZINC000263067829	178854379	/nfs/dbraw/zinc/85/43/79/178854379.db2.gz	ZAUDACPHALSPGQ-UHFFFAOYSA-N	-2	0	366.395	1.896	10	0		FDAERL
CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000391005816	972311858	/nfs/dbraw/zinc/31/18/58/972311858.db2.gz	HQDJKRXUEAGHOT-UHFFFAOYSA-N	-2	0	354.409	1.536	10	0		FDAERL
C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN(Cc2ccccc2)C1	ZINC000405982934	973912759	/nfs/dbraw/zinc/91/27/59/973912759.db2.gz	RMFLOBNQJMXFET-MRXNPFEDSA-N	-2	0	365.411	1.316	10	0		FDAERL
O=C1C[C@@H]2Cc3cc(O)c(S(=O)(=O)[O-])cc3C[C@H]2C=C1S(=O)(=O)[O-]	ZINC000071789615	221376991	/nfs/dbraw/zinc/37/69/91/221376991.db2.gz	AGGJHYYOEAEESK-CBAPKCEASA-N	-2	0	374.392	1.197	10	0		FDAERL
Cc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cnc1Br	ZINC000235881740	960525283	/nfs/dbraw/zinc/52/52/83/960525283.db2.gz	MOSNYWHXOPASFZ-UHFFFAOYSA-N	-2	0	361.177	1.375	10	0		FDAERL
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C	ZINC000606303261	554056351	/nfs/dbraw/zinc/05/63/51/554056351.db2.gz	CNRQZGFWWKHASY-IUCAKERBSA-N	-2	0	360.363	1.686	10	0		FDAERL
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CN1Cc1ccccc1	ZINC000398103574	973069890	/nfs/dbraw/zinc/06/98/90/973069890.db2.gz	LROQNBWPRLWOES-YPMHNXCESA-N	-2	0	365.411	1.314	10	0		FDAERL
Nc1nc2c(ncn2[C@H]2C=C[C@H](COP(=O)([O-])[O-])C2)c(NC2CC2)n1	ZINC000065733848	221235675	/nfs/dbraw/zinc/23/56/75/221235675.db2.gz	YQBOXVWMECPEJS-WPRPVWTQSA-N	-2	0	366.318	1.209	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3ccccc3O)C2=O)c1	ZINC000102312442	222294182	/nfs/dbraw/zinc/29/41/82/222294182.db2.gz	RHKLIUCBWFJGQU-CYBMUJFWSA-N	-2	0	370.317	1.533	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]cc2Br)cs1	ZINC000385626469	972004711	/nfs/dbraw/zinc/00/47/11/972004711.db2.gz	RLQHSQRKLLQEKO-UHFFFAOYSA-N	-2	0	352.191	1.733	10	0		FDAERL
CN(C)[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1	ZINC000237180603	178301879	/nfs/dbraw/zinc/30/18/79/178301879.db2.gz	CXWYQRVDGMBXQC-AWEZNQCLSA-N	-2	0	368.480	1.956	10	0		FDAERL
O=C([O-])CCCC(F)(F)[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCC(=O)[O-]	ZINC000065740397	205361397	/nfs/dbraw/zinc/36/13/97/205361397.db2.gz	UNGXSHHHKITVHD-UZWSLXQKSA-N	-2	0	366.357	1.449	10	0	in-vitro	FDAERL
C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C[C@H]1C(=O)[O-]	ZINC000263175702	672865340	/nfs/dbraw/zinc/86/53/40/672865340.db2.gz	SPYRVKMIPJTMKL-VXNVDRBHSA-N	-2	0	353.318	1.752	10	0		FDAERL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CN1Cc1ccccc1	ZINC000398103572	973069366	/nfs/dbraw/zinc/06/93/66/973069366.db2.gz	LROQNBWPRLWOES-DGCLKSJQSA-N	-2	0	365.411	1.314	10	0		FDAERL
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2nncs2)c1	ZINC000034957248	519599365	/nfs/dbraw/zinc/59/93/65/519599365.db2.gz	GXODVKJFRWMLNT-UHFFFAOYSA-N	-2	0	364.202	1.800	10	0		FDAERL
O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1	ZINC000263461983	537034729	/nfs/dbraw/zinc/03/47/29/537034729.db2.gz	DWNCMXPGFUGJSW-LLVKDONJSA-N	-2	0	371.806	1.148	10	0		FDAERL
O=C([O-])CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000001732343	206228712	/nfs/dbraw/zinc/22/87/12/206228712.db2.gz	DVFXNNPVRLQELO-SECBINFHSA-N	-2	0	350.154	1.806	10	0		FDAERL
CC(=O)NC(Cc1c[nH]c2ccc(Br)cc12)(C(=O)[O-])C(=O)[O-]	ZINC000238852906	537643697	/nfs/dbraw/zinc/64/36/97/537643697.db2.gz	HULORUYSXCGYGX-UHFFFAOYSA-N	-2	0	369.171	1.517	10	0		FDAERL
CO[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1	ZINC000706500827	977345605	/nfs/dbraw/zinc/34/56/05/977345605.db2.gz	PPMPYNWEIAUAJH-IZLXSQMJSA-N	-2	0	354.178	1.196	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccn2)c(Br)s1	ZINC000037465981	205026430	/nfs/dbraw/zinc/02/64/30/205026430.db2.gz	PBCSKOUJUJIULZ-UHFFFAOYSA-N	-2	0	364.202	1.800	10	0		FDAERL
O=C([O-])[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@H]1C(F)(F)F	ZINC000263488928	537038510	/nfs/dbraw/zinc/03/85/10/537038510.db2.gz	QJGWHQKTMZFKRW-YDYPAMBWSA-N	-2	0	352.309	1.534	10	0		FDAERL
Nc1nc(N)c2cc(C[C@@H](C(=O)[O-])c3ccc(C(=O)[O-])cc3)cnc2n1	ZINC000584660128	551525520	/nfs/dbraw/zinc/52/55/20/551525520.db2.gz	JGXWPOPWKDPBDZ-LLVKDONJSA-N	-2	0	353.338	1.298	10	0		FDAERL
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	ZINC000263549017	672881950	/nfs/dbraw/zinc/88/19/50/672881950.db2.gz	JIAJMANMNNKDIT-BDAKNGLRSA-N	-2	0	363.354	1.289	10	0		FDAERL
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3nc4ccccc4s3)ccc21	ZINC000226860246	206123323	/nfs/dbraw/zinc/12/33/23/206123323.db2.gz	KZMUQEXIGBUBIT-UHFFFAOYSA-N	-2	0	359.388	1.981	10	0		FDAERL
Cc1nc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])c[nH]1	ZINC000070418761	522005353	/nfs/dbraw/zinc/00/53/53/522005353.db2.gz	AZBJEIJNQXQYKX-UHFFFAOYSA-N	-2	0	360.189	1.980	10	0		FDAERL
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cncnc2)c1	ZINC000231773415	960204746	/nfs/dbraw/zinc/20/47/46/960204746.db2.gz	JOVZGIWNUFDBJZ-UHFFFAOYSA-N	-2	0	358.173	1.738	10	0		FDAERL
O=C([O-])/C=C/C(=O)Nc1cccc2c(NC(=O)/C=C\C(=O)[O-])cccc12	ZINC000031614075	519448793	/nfs/dbraw/zinc/44/87/93/519448793.db2.gz	HPIVDRLTGFUGCE-FKJILZIQSA-N	-2	0	354.318	1.998	10	0		FDAERL
CC[C@H]([NH3+])C(=O)N([C@H](C)C(=O)[O-])[C@@H](CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000584605014	551523743	/nfs/dbraw/zinc/52/37/43/551523743.db2.gz	NFOMCQYWYWHHEU-SNPRPXQTSA-N	-2	0	364.442	1.847	10	0		FDAERL
O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(Br)nc1	ZINC000236472342	960652773	/nfs/dbraw/zinc/65/27/73/960652773.db2.gz	URQYIRJJSMRECR-UHFFFAOYSA-N	-2	0	364.202	1.800	10	0		FDAERL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])cc1	ZINC000006858501	518389976	/nfs/dbraw/zinc/38/99/76/518389976.db2.gz	JHFFCFHIZLJLKV-UHFFFAOYSA-N	-2	0	351.340	1.759	10	0		FDAERL
Cc1nc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])cn1C	ZINC000050253265	522904826	/nfs/dbraw/zinc/90/48/26/522904826.db2.gz	CICDHEJPZJERDN-UHFFFAOYSA-N	-2	0	374.216	1.990	10	0		FDAERL
O=C([O-])c1ccccc1C(=O)N/C=C/NC(=O)c1ccccc1C(=O)[O-]	ZINC000200269713	537429101	/nfs/dbraw/zinc/42/91/01/537429101.db2.gz	PQNVSTPVCXWFDO-MDZDMXLPSA-N	-2	0	354.318	1.714	10	0		FDAERL
O=C([O-])C[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C(=O)[O-]	ZINC000005129055	207083501	/nfs/dbraw/zinc/08/35/01/207083501.db2.gz	LKCUAKZFJNLSOC-QMMMGPOBSA-N	-2	0	354.409	1.883	10	0		FDAERL
Cn1cnc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])c1	ZINC000052096150	523114354	/nfs/dbraw/zinc/11/43/54/523114354.db2.gz	IIXGOFULYHEIJD-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnn2)c(Br)c1	ZINC000227882632	959974182	/nfs/dbraw/zinc/97/41/82/959974182.db2.gz	BPCLJXXDUOEVFH-UHFFFAOYSA-N	-2	0	358.173	1.738	10	0		FDAERL
Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000034957425	208116877	/nfs/dbraw/zinc/11/68/77/208116877.db2.gz	IURSMLAYIXPLRC-UHFFFAOYSA-N	-2	0	360.189	1.682	10	0		FDAERL
O=C1C[C@H]2Cc3cc(O)c(S(=O)(=O)[O-])cc3C[C@@H]2C=C1S(=O)(=O)[O-]	ZINC000071789616	208782288	/nfs/dbraw/zinc/78/22/88/208782288.db2.gz	AGGJHYYOEAEESK-VXNVDRBHSA-N	-2	0	374.392	1.197	10	0		FDAERL
CN(C)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000035397737	519606205	/nfs/dbraw/zinc/60/62/05/519606205.db2.gz	IWKWORFRIDLVDD-UHFFFAOYSA-N	-2	0	357.338	1.925	10	0		FDAERL
Cc1ccc(S(=O)(=O)[N-]C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000137764351	524248054	/nfs/dbraw/zinc/24/80/54/524248054.db2.gz	YBLWHGQKHHKWRU-UHFFFAOYSA-N	-2	0	368.436	1.680	10	0		FDAERL
O=C1C[C@H]2Cc3cc(O)c(S(=O)(=O)[O-])cc3C[C@H]2C=C1S(=O)(=O)[O-]	ZINC000100043333	209207917	/nfs/dbraw/zinc/20/79/17/209207917.db2.gz	AGGJHYYOEAEESK-APPZFPTMSA-N	-2	0	374.392	1.197	10	0		FDAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000262405122	178732460	/nfs/dbraw/zinc/73/24/60/178732460.db2.gz	ANRGPOYEMGFMEI-GFCCVEGCSA-N	-2	0	356.444	1.843	10	0		FDAERL
C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1Cc1ccccc1	ZINC000316289016	963998690	/nfs/dbraw/zinc/99/86/90/963998690.db2.gz	UWUIGNBKCBVZHR-AAEUAGOBSA-N	-2	0	365.411	1.314	10	0		FDAERL
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC000262895433	178823303	/nfs/dbraw/zinc/82/33/03/178823303.db2.gz	AUOBWTVJKFLFKQ-UHFFFAOYSA-N	-2	0	366.395	1.978	10	0		FDAERL
C[C@H](/C=C/C(=O)[O-])CO[C@H](COC[C@H](C)O)COC[C@@H](C)/C=C/C(=O)[O-]	ZINC000263584367	537047336	/nfs/dbraw/zinc/04/73/36/537047336.db2.gz	RBRODUAWCHJULQ-FQJNJIFPSA-N	-2	0	374.430	1.339	10	0		FDAERL
O=C([O-])c1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1	ZINC000263334746	672871660	/nfs/dbraw/zinc/87/16/60/672871660.db2.gz	DELGAGDKJHEEAI-GHMZBOCLSA-N	-2	0	360.288	1.789	10	0		FDAERL
COc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N(C)C)c21	ZINC000005848904	207118455	/nfs/dbraw/zinc/11/84/55/207118455.db2.gz	ADJYTVQMBCYWFQ-UHFFFAOYSA-N	-2	0	361.397	1.408	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)c1	ZINC000016902086	207601988	/nfs/dbraw/zinc/60/19/88/207601988.db2.gz	CFEFRKPWFISUTJ-CQSZACIVSA-N	-2	0	354.318	1.827	10	0		FDAERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000027229210	519162263	/nfs/dbraw/zinc/16/22/63/519162263.db2.gz	PDZLHUUSDBUKDO-HZAKCSEPSA-N	-2	0	352.393	1.601	10	0		FDAERL
C[C@@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315938292	963955763	/nfs/dbraw/zinc/95/57/63/963955763.db2.gz	IOJDPRSXZUZYAG-BXUZGUMPSA-N	-2	0	365.411	1.172	10	0		FDAERL
O=C([O-])[C@@H]1CC(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)=NN1c1ccccc1	ZINC000262189453	178691349	/nfs/dbraw/zinc/69/13/49/178691349.db2.gz	FSIMXFHJHGPIJG-VRHCTWJESA-N	-2	0	371.393	1.419	10	0		FDAERL
O=C([O-])c1nccnc1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000063216467	212031740	/nfs/dbraw/zinc/03/17/40/212031740.db2.gz	FCXNUYKISMXXKG-UHFFFAOYSA-N	-2	0	364.202	1.800	10	0		FDAERL
O=C([O-])[C@H](OC(=O)c1ccsc1)[C@@H](OC(=O)c1ccsc1)C(=O)[O-]	ZINC000013475491	211035121	/nfs/dbraw/zinc/03/51/21/211035121.db2.gz	SMDHPZGPPVFSMZ-NXEZZACHSA-N	-2	0	370.360	1.730	10	0		FDAERL
CCCNC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C(=O)[O-])cc2C)cc1	ZINC000169336402	222563490	/nfs/dbraw/zinc/56/34/90/222563490.db2.gz	QEKQXTPPVWNJIN-UHFFFAOYSA-N	-2	0	366.399	1.277	10	0		FDAERL
Nc1nc2c(ncn2[C@@H]2C=C[C@H](COP(=O)([O-])[O-])C2)c(NC2CC2)n1	ZINC000006585599	518376132	/nfs/dbraw/zinc/37/61/32/518376132.db2.gz	YQBOXVWMECPEJS-WCBMZHEXSA-N	-2	0	366.318	1.209	10	0		FDAERL
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315938294	963955534	/nfs/dbraw/zinc/95/55/34/963955534.db2.gz	IOJDPRSXZUZYAG-RISCZKNCSA-N	-2	0	365.411	1.172	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1	ZINC000316282214	963998529	/nfs/dbraw/zinc/99/85/29/963998529.db2.gz	UDZHMDMLYWTUFF-ZDUSSCGKSA-N	-2	0	365.411	1.173	10	0		FDAERL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2Cc2ccccc2)on1	ZINC000316298337	964000456	/nfs/dbraw/zinc/00/04/56/964000456.db2.gz	VUVLAVLXLFLCLO-ZDUSSCGKSA-N	-2	0	365.411	1.316	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)c1	ZINC000016902114	211172417	/nfs/dbraw/zinc/17/24/17/211172417.db2.gz	RHKLIUCBWFJGQU-ZDUSSCGKSA-N	-2	0	370.317	1.533	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c1	ZINC000016902142	211171815	/nfs/dbraw/zinc/17/18/15/211171815.db2.gz	WPSGZLKSJRSVJY-AWEZNQCLSA-N	-2	0	372.308	1.966	10	0		FDAERL
C[C@H](/C=C/C(=O)[O-])COC[C@@H](COC[C@H](C)O)OC[C@@H](C)/C=C/C(=O)[O-]	ZINC000263584369	537047911	/nfs/dbraw/zinc/04/79/11/537047911.db2.gz	RBRODUAWCHJULQ-SNFGGZGASA-N	-2	0	374.430	1.339	10	0		FDAERL
CN(c1ccccc1)[C@@H]1CC(=O)N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C1=O	ZINC000102312615	222294174	/nfs/dbraw/zinc/29/41/74/222294174.db2.gz	HWBOZQATEOIYPT-OAHLLOKOSA-N	-2	0	368.345	1.851	10	0		FDAERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccn2)SC1=S	ZINC000027229215	519161662	/nfs/dbraw/zinc/16/16/62/519161662.db2.gz	PDZLHUUSDBUKDO-YIXGCBLDSA-N	-2	0	352.393	1.601	10	0		FDAERL
O=C1C[C@@H]2Cc3cc(O)c(S(=O)(=O)[O-])cc3C[C@@H]2C=C1S(=O)(=O)[O-]	ZINC000071789614	221376224	/nfs/dbraw/zinc/37/62/24/221376224.db2.gz	AGGJHYYOEAEESK-IONNQARKSA-N	-2	0	374.392	1.197	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)c1	ZINC000102312521	222294141	/nfs/dbraw/zinc/29/41/41/222294141.db2.gz	ZDEUMPRFJPUUQX-CQSZACIVSA-N	-2	0	372.308	1.966	10	0		FDAERL
Nc1cccc(C(=O)Nc2cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c2)c1	ZINC000095935194	525109785	/nfs/dbraw/zinc/10/97/85/525109785.db2.gz	NDDYJERQDBKYAM-UHFFFAOYSA-N	-2	0	352.324	1.172	10	0		FDAERL
Nc1nc(N)c2cc(C[C@H](C(=O)[O-])c3ccc(C(=O)[O-])cc3)cnc2n1	ZINC000584660131	551525604	/nfs/dbraw/zinc/52/56/04/551525604.db2.gz	JGXWPOPWKDPBDZ-NSHDSACASA-N	-2	0	353.338	1.298	10	0		FDAERL
O=C([O-])[C@H](NC(=O)c1ccc(I)c(O)c1)C1CC1	ZINC000236449104	960616941	/nfs/dbraw/zinc/61/69/41/960616941.db2.gz	SHFXYVROVFWMNC-SNVBAGLBSA-N	-2	0	361.135	1.590	10	0		FDAERL
CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000263018937	536961394	/nfs/dbraw/zinc/96/13/94/536961394.db2.gz	ZRVZXDNIPJOHKY-HNNXBMFYSA-N	-2	0	362.382	1.313	10	0		FDAERL
CC[C@@H]([NH3+])C(=O)N([C@H](C)C(=O)[O-])[C@@H](CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000584605015	551523890	/nfs/dbraw/zinc/52/38/90/551523890.db2.gz	NFOMCQYWYWHHEU-YUELXQCFSA-N	-2	0	364.442	1.847	10	0		FDAERL
Cc1ccc(-n2c(CC(=O)[O-])cn3c2nc2c3c([O-])nc(=O)n2C)cc1C	ZINC000618254931	555600320	/nfs/dbraw/zinc/60/03/20/555600320.db2.gz	KEAOWLNAVQAMEJ-UHFFFAOYSA-N	-2	0	367.365	1.321	10	0		FDAERL
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1	ZINC000263461984	537034670	/nfs/dbraw/zinc/03/46/70/537034670.db2.gz	DWNCMXPGFUGJSW-NSHDSACASA-N	-2	0	371.806	1.148	10	0		FDAERL
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])C[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C	ZINC000606303262	554056316	/nfs/dbraw/zinc/05/63/16/554056316.db2.gz	CNRQZGFWWKHASY-RKDXNWHRSA-N	-2	0	360.363	1.686	10	0		FDAERL
O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cnc(Br)cn1	ZINC000134719101	958856420	/nfs/dbraw/zinc/85/64/20/958856420.db2.gz	JVNRFDVKLVPRAI-UHFFFAOYSA-N	-2	0	365.190	1.195	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](Nc3ccc(O)cc3)C2=O)c1	ZINC000102312428	222294049	/nfs/dbraw/zinc/29/40/49/222294049.db2.gz	AWSONDZIJPYQCT-CQSZACIVSA-N	-2	0	370.317	1.533	10	0		FDAERL
O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000036417048	519622981	/nfs/dbraw/zinc/62/29/81/519622981.db2.gz	OSXYNPAKEAJIEK-KBPBESRZSA-N	-2	0	360.366	1.065	10	0		FDAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1	ZINC000263369460	178903548	/nfs/dbraw/zinc/90/35/48/178903548.db2.gz	UYKLUQDQCZIWPZ-NEPJUHHUSA-N	-2	0	354.428	1.549	10	0		FDAERL
O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(Br)cn1	ZINC000134669359	958844427	/nfs/dbraw/zinc/84/44/27/958844427.db2.gz	OXGKOLCWLNJVIP-UHFFFAOYSA-N	-2	0	364.202	1.800	10	0		FDAERL
C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCN1Cc1ccccc1	ZINC000316289018	963998992	/nfs/dbraw/zinc/99/89/92/963998992.db2.gz	UWUIGNBKCBVZHR-DGCLKSJQSA-N	-2	0	365.411	1.314	10	0		FDAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)c1	ZINC000102312378	222294282	/nfs/dbraw/zinc/29/42/82/222294282.db2.gz	CFEFRKPWFISUTJ-AWEZNQCLSA-N	-2	0	354.318	1.827	10	0		FDAERL
CC(C)(C)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000393929404	972658330	/nfs/dbraw/zinc/65/83/30/972658330.db2.gz	HBZUPPPOQIDCJZ-MRVPVSSYSA-N	-2	0	370.221	1.426	10	0		FDAERL
Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000312375059	676549761	/nfs/dbraw/zinc/54/97/61/676549761.db2.gz	BBFRXWHFSLYJCU-UHFFFAOYSA-N	-2	0	360.189	1.980	10	0		FDAERL
CCC[C@H](NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-]	ZINC000262393838	672782247	/nfs/dbraw/zinc/78/22/47/672782247.db2.gz	SHVJZYQZKNIUJU-JTQLQIEISA-N	-2	0	374.415	1.058	10	0		FDAERL