smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1	ZINC000736749016	600313694	/nfs/dbraw/zinc/31/36/94/600313694.db2.gz	HUWXVPDJLFYJEM-STQMWFEESA-N	-2	3	368.861	2.437	20	10		FECDHL
CO[C@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000831505164	601354384	/nfs/dbraw/zinc/35/43/84/601354384.db2.gz	HVMZPRAQXVROIO-SECBINFHSA-N	-2	3	355.778	2.223	20	10		FECDHL
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000833820503	605676120	/nfs/dbraw/zinc/67/61/20/605676120.db2.gz	RUVIXQZMONRTSB-TVQRCGJNSA-N	-2	3	359.220	2.012	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(C(=O)[O-])c1F	ZINC000325197005	673048782	/nfs/dbraw/zinc/04/87/82/673048782.db2.gz	GPLSPEZBFHRXSU-UHFFFAOYSA-N	-2	3	353.327	2.362	20	10		FECDHL
CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1OC	ZINC000773230267	681132250	/nfs/dbraw/zinc/13/22/50/681132250.db2.gz	GDDUJBORWNBKNE-UHFFFAOYSA-N	-2	3	374.440	2.159	20	10		FECDHL
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286001	681292076	/nfs/dbraw/zinc/29/20/76/681292076.db2.gz	IXCIPPWQPSGNKE-UHFFFAOYSA-N	-2	3	365.367	2.450	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000775289083	681293064	/nfs/dbraw/zinc/29/30/64/681293064.db2.gz	PZCNUNPNSKOXTM-UHFFFAOYSA-N	-3	3	366.351	2.416	20	10		FECDHL
Cn1ncc(S(=O)(=O)[N-]Cc2cccc(Cl)c2[O-])c1C(F)(F)F	ZINC000908329609	691660501	/nfs/dbraw/zinc/66/05/01/691660501.db2.gz	SPHKWHRVCOUULF-UHFFFAOYSA-N	-2	3	369.752	2.276	20	10		FECDHL
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1[O-]	ZINC000131008808	544174063	/nfs/dbraw/zinc/17/40/63/544174063.db2.gz	YBAPVDFSOQGVIU-UHFFFAOYSA-N	-2	3	372.396	2.398	20	10		FECDHL
CN(C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1nccs1	ZINC000737324060	600144324	/nfs/dbraw/zinc/14/43/24/600144324.db2.gz	IXHHSKZSQLGYNW-UHFFFAOYSA-N	-2	3	369.830	2.052	20	10		FECDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCN(C(=O)[O-])C1	ZINC000739760556	602431255	/nfs/dbraw/zinc/43/12/55/602431255.db2.gz	HFSHNHJUTMDNSM-GFCCVEGCSA-N	-2	3	370.833	2.411	20	10		FECDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1OC	ZINC000326440112	673053395	/nfs/dbraw/zinc/05/33/95/673053395.db2.gz	ZAJHBPNUFUWTDO-UHFFFAOYSA-N	-2	3	367.379	2.217	20	10		FECDHL
Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)ccc1O	ZINC000776747648	681432596	/nfs/dbraw/zinc/43/25/96/681432596.db2.gz	IOQHDCSJCVEDSL-UHFFFAOYSA-N	-2	3	355.343	2.104	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[O-]	ZINC000295271538	552979763	/nfs/dbraw/zinc/97/97/63/552979763.db2.gz	HSIHYKDPPJVFPI-SNVBAGLBSA-N	-2	3	351.790	2.304	20	10		FECDHL
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826492766	609524910	/nfs/dbraw/zinc/52/49/10/609524910.db2.gz	BZVLSSCXMDOVDI-UHFFFAOYSA-N	-2	3	351.775	2.027	20	10		FECDHL
O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])cc2F)cc1	ZINC000758169607	680559233	/nfs/dbraw/zinc/55/92/33/680559233.db2.gz	VCFYXHAOUXXIEC-UHFFFAOYSA-N	-2	3	367.354	2.380	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000775288067	681292956	/nfs/dbraw/zinc/29/29/56/681292956.db2.gz	IXLCHUWMLAYCBU-UHFFFAOYSA-N	-3	3	366.351	2.416	20	10		FECDHL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748701	681433162	/nfs/dbraw/zinc/43/31/62/681433162.db2.gz	CQEVMMWUSYNRPK-UHFFFAOYSA-N	-3	3	372.742	2.453	20	10		FECDHL
O=C([O-])CN(CC(=O)Nc1nccs1)Cc1cc(Cl)ccc1[O-]	ZINC000739783678	600145058	/nfs/dbraw/zinc/14/50/58/600145058.db2.gz	JABSLHNNRFQFFN-UHFFFAOYSA-N	-2	3	355.803	2.027	20	10		FECDHL
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc2O1	ZINC000775285789	681291882	/nfs/dbraw/zinc/29/18/82/681291882.db2.gz	CBAAVCUERLJOML-VIFPVBQESA-N	-2	3	350.352	2.425	20	10		FECDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775289670	681293349	/nfs/dbraw/zinc/29/33/49/681293349.db2.gz	YJQUPDSVHGXJQS-UHFFFAOYSA-N	-3	3	366.351	2.416	20	10		FECDHL
CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270146	684235812	/nfs/dbraw/zinc/23/58/12/684235812.db2.gz	LIYHIORGJRGRQL-IBGZPJMESA-N	-2	3	361.272	2.151	20	10		FECDHL
O=C(c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c[nH]1)N1CCCC1	ZINC000182491866	547502518	/nfs/dbraw/zinc/50/25/18/547502518.db2.gz	KSDBHNZUTRAMAZ-UHFFFAOYSA-N	-2	3	369.830	2.411	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1[O-]	ZINC000289576002	552343684	/nfs/dbraw/zinc/34/36/84/552343684.db2.gz	YVAUKCSWNOMBAH-UHFFFAOYSA-N	-2	3	350.806	2.039	20	10		FECDHL
O=C([O-])CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)ccc1[O-]	ZINC000739783909	600144907	/nfs/dbraw/zinc/14/49/07/600144907.db2.gz	YWTQOIUFDGCJFX-UHFFFAOYSA-N	-2	3	362.813	2.249	20	10		FECDHL
O=C([O-])CN(CC(=O)NC(C1CC1)C1CC1)Cc1cc(Cl)ccc1[O-]	ZINC000739783904	600145190	/nfs/dbraw/zinc/14/51/90/600145190.db2.gz	YLRRUABALNMNAY-UHFFFAOYSA-N	-2	3	366.845	2.237	20	10		FECDHL
CN(C)C(=O)c1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])[nH]1	ZINC000833687538	604637311	/nfs/dbraw/zinc/63/73/11/604637311.db2.gz	SZYAYABNHFFUGP-UHFFFAOYSA-N	-2	3	365.817	2.162	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCN(CCC(=O)[O-])C[C@H]2C)c1[O-]	ZINC000833401651	605192868	/nfs/dbraw/zinc/19/28/68/605192868.db2.gz	ZSQKCHSPQSJXSN-LLVKDONJSA-N	-2	3	354.834	2.229	20	10		FECDHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O	ZINC000326765347	673055220	/nfs/dbraw/zinc/05/52/20/673055220.db2.gz	PGFFYCRCUPVACC-UHFFFAOYSA-N	-2	3	365.363	2.053	20	10		FECDHL
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000757653855	680530364	/nfs/dbraw/zinc/53/03/64/680530364.db2.gz	CDCIQVIIPJDADW-UHFFFAOYSA-N	-2	3	364.379	2.240	20	10		FECDHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286016	681291960	/nfs/dbraw/zinc/29/19/60/681291960.db2.gz	JRBRJQNTXCOBRN-UHFFFAOYSA-N	-2	3	351.340	2.060	20	10		FECDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccccc1-c1nn[nH]n1	ZINC000826493029	609156537	/nfs/dbraw/zinc/15/65/37/609156537.db2.gz	PHJPHTMVNBSCGZ-UHFFFAOYSA-N	-2	3	351.775	2.027	20	10		FECDHL
CO[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CCOCC1	ZINC000901963388	690722078	/nfs/dbraw/zinc/72/20/78/690722078.db2.gz	RQIDVKNSRJLQFA-CQSZACIVSA-N	-2	3	367.826	2.368	20	10		FECDHL
O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccc([O-])cc1	ZINC000807417005	674415087	/nfs/dbraw/zinc/41/50/87/674415087.db2.gz	RAQBUBWCMDRFTG-UHFFFAOYSA-N	-2	3	350.168	2.359	20	10		FECDHL
C[C@H]1CCCCN1C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000828251498	601114515	/nfs/dbraw/zinc/11/45/15/601114515.db2.gz	JFXAZYNFGDTQOO-LBPRGKRZSA-N	-2	3	354.834	2.333	20	10		FECDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000751185195	680158907	/nfs/dbraw/zinc/15/89/07/680158907.db2.gz	AICXNBLKSWOKEF-UHFFFAOYSA-N	-3	3	365.363	2.152	20	10		FECDHL
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1[O-]	ZINC000175686929	546332999	/nfs/dbraw/zinc/33/29/99/546332999.db2.gz	MHIOYNQQSGLKCG-UHFFFAOYSA-N	-2	3	372.396	2.398	20	10		FECDHL
Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000743259687	673753941	/nfs/dbraw/zinc/75/39/41/673753941.db2.gz	KNDBKPVJHZRZJX-UHFFFAOYSA-N	-2	3	353.312	2.318	20	10		FECDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000749771197	680074349	/nfs/dbraw/zinc/07/43/49/680074349.db2.gz	JMIMZBWBGDNBPR-UHFFFAOYSA-N	-3	3	365.363	2.152	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000790417086	682675060	/nfs/dbraw/zinc/67/50/60/682675060.db2.gz	GWVZVBMCIOJUNB-UHFFFAOYSA-N	-2	3	351.380	2.462	20	10		FECDHL
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1O	ZINC000797820342	683276447	/nfs/dbraw/zinc/27/64/47/683276447.db2.gz	SJDWSNYQKNNKRJ-UHFFFAOYSA-N	-2	3	354.340	2.124	20	10		FECDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000793404258	682886793	/nfs/dbraw/zinc/88/67/93/682886793.db2.gz	FQOBIVXXAPRFII-UHFFFAOYSA-N	-3	3	369.326	2.037	20	10		FECDHL
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(Br)c1[O-]	ZINC000277521833	550680386	/nfs/dbraw/zinc/68/03/86/550680386.db2.gz	SVAQZACLHSSPTE-UHFFFAOYSA-N	-2	3	361.217	2.238	20	10		FECDHL
Cc1oc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)cc1C(=O)[O-]	ZINC000833026407	601219159	/nfs/dbraw/zinc/21/91/59/601219159.db2.gz	AIJCKMBRJLJGBF-UHFFFAOYSA-N	-2	3	364.423	2.147	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1F	ZINC000763291195	680778570	/nfs/dbraw/zinc/77/85/70/680778570.db2.gz	SZURUAAGHNPWJC-UHFFFAOYSA-N	-3	3	369.326	2.037	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000760365101	680684550	/nfs/dbraw/zinc/68/45/50/680684550.db2.gz	ICYFQZSTWBYSBB-UHFFFAOYSA-N	-3	3	365.363	2.206	20	10		FECDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289601	681293411	/nfs/dbraw/zinc/29/34/11/681293411.db2.gz	XTSWAZGMKGCBKN-UHFFFAOYSA-N	-3	3	366.351	2.362	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)c1OCC(=O)[O-]	ZINC000776745252	681432479	/nfs/dbraw/zinc/43/24/79/681432479.db2.gz	UGERDKTXQGZBDV-UHFFFAOYSA-N	-2	3	351.380	2.273	20	10		FECDHL
C[S@](=O)(=NS(=O)(=O)[N-]Cc1c([O-])cccc1F)C1CCCCC1	ZINC000921450548	683471990	/nfs/dbraw/zinc/47/19/90/683471990.db2.gz	AOQKPBBQGHXGKG-JOCHJYFZSA-N	-2	3	364.464	2.296	20	10		FECDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000833669545	605525171	/nfs/dbraw/zinc/52/51/71/605525171.db2.gz	HATNOIVMCZNNKL-UHFFFAOYSA-N	-3	3	365.363	2.152	20	10		FECDHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1C	ZINC000760514377	680691113	/nfs/dbraw/zinc/69/11/13/680691113.db2.gz	BKYILXWOCHEALX-UHFFFAOYSA-N	-2	3	358.803	2.362	20	10		FECDHL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F	ZINC000758169031	680558636	/nfs/dbraw/zinc/55/86/36/680558636.db2.gz	KTKMNKXZYXOSKA-UHFFFAOYSA-N	-2	3	360.750	2.167	20	10		FECDHL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)C1	ZINC000844933280	681094019	/nfs/dbraw/zinc/09/40/19/681094019.db2.gz	DXVFOISZMNOLDB-LLVKDONJSA-N	-2	3	370.808	2.082	20	10		FECDHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775288523	681292985	/nfs/dbraw/zinc/29/29/85/681292985.db2.gz	PDMLJCLCIYAUHV-UHFFFAOYSA-N	-3	3	352.324	2.108	20	10		FECDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000776748845	681433030	/nfs/dbraw/zinc/43/30/30/681433030.db2.gz	LEWKFYQTMOTEDY-UHFFFAOYSA-N	-2	3	373.839	2.176	20	10		FECDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739760559	602431366	/nfs/dbraw/zinc/43/13/66/602431366.db2.gz	HFSHNHJUTMDNSM-LBPRGKRZSA-N	-2	3	370.833	2.411	20	10		FECDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000775286936	681292475	/nfs/dbraw/zinc/29/24/75/681292475.db2.gz	QYZRWDDPAIWFSZ-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc([O-])cc1F)OCCO2	ZINC000758168755	680558755	/nfs/dbraw/zinc/55/87/55/680558755.db2.gz	FNZIMHRRNXRWNH-UHFFFAOYSA-N	-2	3	370.314	2.012	20	10		FECDHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)o1	ZINC000290602321	552505339	/nfs/dbraw/zinc/50/53/39/552505339.db2.gz	YZZBBELKSKHUOJ-UHFFFAOYSA-N	-2	3	369.395	2.498	20	10		FECDHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C(=O)[O-]	ZINC000797819452	683275613	/nfs/dbraw/zinc/27/56/13/683275613.db2.gz	JNPJVKHFOJTTAO-UHFFFAOYSA-N	-2	3	367.379	2.299	20	10		FECDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000751189592	601862275	/nfs/dbraw/zinc/86/22/75/601862275.db2.gz	NMNAYOMGZLUNCG-UHFFFAOYSA-N	-3	3	365.363	2.206	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)c1[O-]	ZINC000833401652	605192828	/nfs/dbraw/zinc/19/28/28/605192828.db2.gz	ZSQKCHSPQSJXSN-NSHDSACASA-N	-2	3	354.834	2.229	20	10		FECDHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776750370	681433120	/nfs/dbraw/zinc/43/31/20/681433120.db2.gz	BMYUZOXBWGRDPP-UHFFFAOYSA-N	-2	3	361.828	2.250	20	10		FECDHL
CCOc1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1	ZINC000737221698	600142769	/nfs/dbraw/zinc/14/27/69/600142769.db2.gz	DLHFUNFGKJECME-UHFFFAOYSA-N	-2	3	357.819	2.383	20	10		FECDHL
C[C@@H]1CCCCN1C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000828251497	601114685	/nfs/dbraw/zinc/11/46/85/601114685.db2.gz	JFXAZYNFGDTQOO-GFCCVEGCSA-N	-2	3	354.834	2.333	20	10		FECDHL
O=C([O-])NCc1ccc2c(c1)CCCN2CCC[N-]C(=O)C(F)(F)F	ZINC000834247078	605950555	/nfs/dbraw/zinc/95/05/55/605950555.db2.gz	HUXWTUPRRDXYLV-UHFFFAOYSA-N	-2	3	359.348	2.275	20	10		FECDHL
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776750909	681433000	/nfs/dbraw/zinc/43/30/00/681433000.db2.gz	NTWTWFXAZMRFPW-UHFFFAOYSA-N	-2	3	371.798	2.398	20	10		FECDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)o1	ZINC000740176618	599770271	/nfs/dbraw/zinc/77/02/71/599770271.db2.gz	KUVFIDAZBWZGLF-UHFFFAOYSA-N	-2	3	350.396	2.057	20	10		FECDHL
Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000809846382	674516066	/nfs/dbraw/zinc/51/60/66/674516066.db2.gz	HRXASQSWBRPHSR-UHFFFAOYSA-N	-2	3	352.199	2.056	20	10		FECDHL
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1	ZINC000833654366	605019370	/nfs/dbraw/zinc/01/93/70/605019370.db2.gz	MGCXOCYGPNGRQW-UHFFFAOYSA-N	-2	3	369.468	2.166	20	10		FECDHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1C	ZINC000757654825	680530471	/nfs/dbraw/zinc/53/04/71/680530471.db2.gz	HEJRUAKUOYXEFX-UHFFFAOYSA-N	-2	3	364.379	2.158	20	10		FECDHL
O=c1ccc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1	ZINC000775285777	681291939	/nfs/dbraw/zinc/29/19/39/681291939.db2.gz	BNZKKQKGFHRRMY-UHFFFAOYSA-N	-2	3	362.319	2.208	20	10		FECDHL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776751885	681433758	/nfs/dbraw/zinc/43/37/58/681433758.db2.gz	WCDTYDFSKKFFAQ-UHFFFAOYSA-N	-2	3	361.828	2.250	20	10		FECDHL
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000833820501	605676174	/nfs/dbraw/zinc/67/61/74/605676174.db2.gz	RUVIXQZMONRTSB-NOZJJQNGSA-N	-2	3	359.220	2.012	20	10		FECDHL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1	ZINC000184619029	672503181	/nfs/dbraw/zinc/50/31/81/672503181.db2.gz	IOPKDKIJEZFJMT-UHFFFAOYSA-N	-2	3	358.416	2.072	20	10		FECDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000775673526	681322845	/nfs/dbraw/zinc/32/28/45/681322845.db2.gz	WHAVFUKJZQDIRE-UHFFFAOYSA-N	-2	3	364.423	2.038	20	10		FECDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000736682147	673536397	/nfs/dbraw/zinc/53/63/97/673536397.db2.gz	KUOKTXVXWCERMA-UHFFFAOYSA-N	-2	3	356.787	2.375	20	10		FECDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F	ZINC000758169080	680558740	/nfs/dbraw/zinc/55/87/40/680558740.db2.gz	MKBZBOVXHGIINJ-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000775288497	681293048	/nfs/dbraw/zinc/29/30/48/681293048.db2.gz	NIGNHPGIZSSYET-UHFFFAOYSA-N	-3	3	366.351	2.416	20	10		FECDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000793349254	682884009	/nfs/dbraw/zinc/88/40/09/682884009.db2.gz	MQNLAQIHIKTXGQ-UHFFFAOYSA-N	-2	3	353.327	2.362	20	10		FECDHL
Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)cc1C(=O)[O-]	ZINC000833027131	601216407	/nfs/dbraw/zinc/21/64/07/601216407.db2.gz	PVAQKXOLIXOZEM-UHFFFAOYSA-N	-2	3	364.423	2.365	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000790417779	682675173	/nfs/dbraw/zinc/67/51/73/682675173.db2.gz	OVSUYFAJHVTRJT-UHFFFAOYSA-N	-2	3	351.380	2.468	20	10		FECDHL
O=C([O-])CN(Cc1nnc2n1CCCCC2)Cc1cc(Cl)ccc1[O-]	ZINC000739794402	600316011	/nfs/dbraw/zinc/31/60/11/600316011.db2.gz	XZYLCBFSHGEXDA-UHFFFAOYSA-N	-2	3	364.833	2.450	20	10		FECDHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286337	681292450	/nfs/dbraw/zinc/29/24/50/681292450.db2.gz	PIINRXFGFQRTRF-UHFFFAOYSA-N	-3	3	352.324	2.108	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000775288474	681292938	/nfs/dbraw/zinc/29/29/38/681292938.db2.gz	MKXDHDGKMYDEAO-UHFFFAOYSA-N	-3	3	352.324	2.108	20	10		FECDHL
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c1	ZINC000290453357	552481252	/nfs/dbraw/zinc/48/12/52/552481252.db2.gz	DLNJQIDCSJDIDF-UHFFFAOYSA-N	-2	3	369.395	2.498	20	10		FECDHL
CC(C)(C)CCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000736248180	600313728	/nfs/dbraw/zinc/31/37/28/600313728.db2.gz	DNJFLBGDWSAPRQ-UHFFFAOYSA-N	-2	3	356.850	2.485	20	10		FECDHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000775286507	681292419	/nfs/dbraw/zinc/29/24/19/681292419.db2.gz	VDBLIJFDGABLPT-UHFFFAOYSA-N	-2	3	369.330	2.199	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000790416118	682675268	/nfs/dbraw/zinc/67/52/68/682675268.db2.gz	QYOHVSWFIMFRTF-UHFFFAOYSA-N	-2	3	351.380	2.219	20	10		FECDHL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1O	ZINC000793429286	682888819	/nfs/dbraw/zinc/88/88/19/682888819.db2.gz	DZTIZNWQDAJRFV-UHFFFAOYSA-N	-2	3	355.343	2.347	20	10		FECDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CCN(C(=O)[O-])CC1	ZINC000739764240	602431386	/nfs/dbraw/zinc/43/13/86/602431386.db2.gz	XSSPQMSSJYDKAI-UHFFFAOYSA-N	-2	3	370.833	2.411	20	10		FECDHL
C[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1	ZINC000833616295	604950150	/nfs/dbraw/zinc/95/01/50/604950150.db2.gz	YWVBULARPDMZSU-GFCCVEGCSA-N	-2	3	354.834	2.191	20	10		FECDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000775286493	681292432	/nfs/dbraw/zinc/29/24/32/681292432.db2.gz	URXFIQLWCKNBSW-UHFFFAOYSA-N	-3	3	372.742	2.453	20	10		FECDHL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl	ZINC000776743896	681432656	/nfs/dbraw/zinc/43/26/56/681432656.db2.gz	BKFHXWJYRNGGBF-UHFFFAOYSA-N	-2	3	357.771	2.310	20	10		FECDHL
Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)ccc1O	ZINC000776748438	681433257	/nfs/dbraw/zinc/43/32/57/681433257.db2.gz	ISDFAZBEXLINTP-UHFFFAOYSA-N	-2	3	351.380	2.273	20	10		FECDHL
O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc21	ZINC000377144264	558275808	/nfs/dbraw/zinc/27/58/08/558275808.db2.gz	ZUIPYTIFBBDGHA-UHFFFAOYSA-N	-2	3	370.789	2.271	20	10		FECDHL
O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)C1	ZINC000844933282	681094034	/nfs/dbraw/zinc/09/40/34/681094034.db2.gz	DXVFOISZMNOLDB-NSHDSACASA-N	-2	3	370.808	2.082	20	10		FECDHL
Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c([O-])c1O	ZINC000781012971	681895297	/nfs/dbraw/zinc/89/52/97/681895297.db2.gz	JSFHQPCXVMIWCZ-UHFFFAOYSA-N	-2	3	354.359	2.169	20	10		FECDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1C	ZINC000753522744	680302038	/nfs/dbraw/zinc/30/20/38/680302038.db2.gz	SVAWVVCKTGVZII-UHFFFAOYSA-N	-2	3	366.351	2.196	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1CC(=O)[O-]	ZINC000776748713	681433131	/nfs/dbraw/zinc/43/31/31/681433131.db2.gz	YAWUFLUKOFSIEP-UHFFFAOYSA-N	-2	3	351.380	2.137	20	10		FECDHL
CN(Cc1ccco1)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737494443	600505803	/nfs/dbraw/zinc/50/58/03/600505803.db2.gz	PKDNESOYJXZWEA-UHFFFAOYSA-N	-2	3	366.801	2.184	20	10		FECDHL
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000833820504	605675965	/nfs/dbraw/zinc/67/59/65/605675965.db2.gz	RUVIXQZMONRTSB-ZANVPECISA-N	-2	3	359.220	2.012	20	10		FECDHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c([N+](=O)[O-])c1	ZINC000758169584	680559018	/nfs/dbraw/zinc/55/90/18/680559018.db2.gz	UKLZSCSGGHFSJP-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748956	681433195	/nfs/dbraw/zinc/43/31/95/681433195.db2.gz	RSGAYCWWTQCSEK-UHFFFAOYSA-N	-4	3	371.754	2.243	20	10		FECDHL
O=S(=O)([N-]c1c(F)c(F)c([O-])c(F)c1F)c1cn2c(n1)CCCC2	ZINC000367887026	556165390	/nfs/dbraw/zinc/16/53/90/556165390.db2.gz	RWZXUIIDXUHJCQ-UHFFFAOYSA-N	-2	3	365.308	2.282	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(N)=O	ZINC000808114738	674442051	/nfs/dbraw/zinc/44/20/51/674442051.db2.gz	GTEDAUFIIIYEPM-UHFFFAOYSA-N	-2	3	358.778	2.393	20	10		FECDHL
C[C@@H]1C[C@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1	ZINC000736749014	600313841	/nfs/dbraw/zinc/31/38/41/600313841.db2.gz	HUWXVPDJLFYJEM-BETUJISGSA-N	-2	3	368.861	2.437	20	10		FECDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000324644633	600678420	/nfs/dbraw/zinc/67/84/20/600678420.db2.gz	AFAOQMNFWJZJIG-UHFFFAOYSA-N	-2	3	351.380	2.355	20	10		FECDHL
C[C@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1	ZINC000833616296	604950223	/nfs/dbraw/zinc/95/02/23/604950223.db2.gz	YWVBULARPDMZSU-LBPRGKRZSA-N	-2	3	354.834	2.191	20	10		FECDHL
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1O	ZINC000826271086	609530409	/nfs/dbraw/zinc/53/04/09/609530409.db2.gz	BQBNEFXWZYRBHR-UHFFFAOYSA-N	-2	3	365.802	2.335	20	10		FECDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000753523618	680302344	/nfs/dbraw/zinc/30/23/44/680302344.db2.gz	ZKXFQVHAUCKIMU-UHFFFAOYSA-N	-3	3	366.351	2.362	20	10		FECDHL
CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2C1=O	ZINC000776751888	681433542	/nfs/dbraw/zinc/43/35/42/681433542.db2.gz	WFTBVPKXRLQWMR-UHFFFAOYSA-N	-2	3	366.782	2.072	20	10		FECDHL
Cn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nnc1C1CC1	ZINC000739013552	600314602	/nfs/dbraw/zinc/31/46/02/600314602.db2.gz	FFAYZTWTXMWEFD-UHFFFAOYSA-N	-2	3	350.806	2.138	20	10		FECDHL
CC(C)Cn1ncnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000833495669	605468929	/nfs/dbraw/zinc/46/89/29/605468929.db2.gz	PASXAPCOKXQZOD-UHFFFAOYSA-N	-2	3	352.822	2.380	20	10		FECDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000775286819	681292385	/nfs/dbraw/zinc/29/23/85/681292385.db2.gz	OTJNULJFTUFSHQ-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)CC1	ZINC000840914504	680852610	/nfs/dbraw/zinc/85/26/10/680852610.db2.gz	VXEXSTMRYHPISL-UHFFFAOYSA-N	-2	3	351.783	2.412	20	10		FECDHL
CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270147	684235762	/nfs/dbraw/zinc/23/57/62/684235762.db2.gz	LIYHIORGJRGRQL-LJQANCHMSA-N	-2	3	361.272	2.151	20	10		FECDHL
O=C([O-])CN(Cc1nnc2n1CCCC2)Cc1cc(Cl)ccc1[O-]	ZINC000739793341	600315674	/nfs/dbraw/zinc/31/56/74/600315674.db2.gz	FYIZYDYNWAHOLU-UHFFFAOYSA-N	-2	3	350.806	2.060	20	10		FECDHL
COc1coc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1=O	ZINC000832642986	602204003	/nfs/dbraw/zinc/20/40/03/602204003.db2.gz	MOTJEYRNCRCZKZ-UHFFFAOYSA-N	-2	3	353.758	2.094	20	10		FECDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000757658402	680530808	/nfs/dbraw/zinc/53/08/08/680530808.db2.gz	ZVVGRHFWOJMPOY-UHFFFAOYSA-N	-3	3	371.754	2.243	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1CC(=O)[O-]	ZINC000774620919	681211839	/nfs/dbraw/zinc/21/18/39/681211839.db2.gz	NTOCZZLNQIJTBJ-UHFFFAOYSA-N	-2	3	351.380	2.137	20	10		FECDHL
COC1(CS(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)CCOCC1	ZINC000901962213	690721604	/nfs/dbraw/zinc/72/16/04/690721604.db2.gz	CLCHZGAUDXTEFE-UHFFFAOYSA-N	-2	3	353.799	2.122	20	10		FECDHL
O=S(=O)([N-]c1cc(F)c([O-])cc1Cl)c1cnn([C@@H]2CCOC2)c1	ZINC000901962396	690721770	/nfs/dbraw/zinc/72/17/70/690721770.db2.gz	GWFSZDCNWXMHRD-MRVPVSSYSA-N	-2	3	361.782	2.143	20	10		FECDHL
CC1CCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1	ZINC000736792252	600144487	/nfs/dbraw/zinc/14/44/87/600144487.db2.gz	UNBLDEXOCTVDJD-UHFFFAOYSA-N	-2	3	354.834	2.191	20	10		FECDHL
O=C([O-])CN(CC(=O)NCc1cccs1)Cc1cc(Cl)ccc1[O-]	ZINC000739783587	600144694	/nfs/dbraw/zinc/14/46/94/600144694.db2.gz	AFCVAJNLTBVCHB-UHFFFAOYSA-N	-2	3	368.842	2.310	20	10		FECDHL
O=C([O-])CN(Cc1cc(=O)n2ccccc2n1)Cc1cc(Cl)ccc1[O-]	ZINC000739794396	600145730	/nfs/dbraw/zinc/14/57/30/600145730.db2.gz	XPMAZOHZYLWILB-UHFFFAOYSA-N	-2	3	373.796	2.140	20	10		FECDHL
COCCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289157	681292917	/nfs/dbraw/zinc/29/29/17/681292917.db2.gz	SSMWTYHEMSBKBW-UHFFFAOYSA-N	-2	3	368.367	2.126	20	10		FECDHL
CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc21	ZINC000776434328	681391593	/nfs/dbraw/zinc/39/15/93/681391593.db2.gz	CIBYVVNAESQLDZ-UHFFFAOYSA-N	-2	3	362.407	2.274	20	10		FECDHL
CO[C@@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000831505165	601354510	/nfs/dbraw/zinc/35/45/10/601354510.db2.gz	HVMZPRAQXVROIO-VIFPVBQESA-N	-2	3	355.778	2.223	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000753779531	680314413	/nfs/dbraw/zinc/31/44/13/680314413.db2.gz	LLPZCJLOZBCZKL-UHFFFAOYSA-N	-3	3	365.363	2.206	20	10		FECDHL
O=C([O-])CN(CC(=O)NC1CCCCC1)Cc1cc(Cl)ccc1[O-]	ZINC000739783657	600144918	/nfs/dbraw/zinc/14/49/18/600144918.db2.gz	HJTPAAAHAFLVTK-UHFFFAOYSA-N	-2	3	354.834	2.381	20	10		FECDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1[O-]	ZINC000775287970	681293169	/nfs/dbraw/zinc/29/31/69/681293169.db2.gz	GUCJBHJVZCMLHN-UHFFFAOYSA-N	-2	3	366.351	2.263	20	10		FECDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1O	ZINC000776748850	681433126	/nfs/dbraw/zinc/43/31/26/681433126.db2.gz	LRGFBPYNNPSIAT-UHFFFAOYSA-N	-2	3	357.771	2.339	20	10		FECDHL
O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000911746139	685252992	/nfs/dbraw/zinc/25/29/92/685252992.db2.gz	WBIRELKYRZWOCA-SECBINFHSA-N	-2	3	361.225	2.112	20	10		FECDHL
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000826255541	609156649	/nfs/dbraw/zinc/15/66/49/609156649.db2.gz	BHZXDNHPXLBHCG-UHFFFAOYSA-N	-2	3	365.802	2.335	20	10		FECDHL
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1	ZINC000771221055	681047367	/nfs/dbraw/zinc/04/73/67/681047367.db2.gz	AWFUHBLRPKEMDJ-UHFFFAOYSA-N	-2	3	365.342	2.325	20	10		FECDHL
COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000776435041	681391670	/nfs/dbraw/zinc/39/16/70/681391670.db2.gz	WVVFMEJPVWMMCE-UHFFFAOYSA-N	-2	3	351.380	2.080	20	10		FECDHL
O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc21	ZINC000182493019	547502271	/nfs/dbraw/zinc/50/22/71/547502271.db2.gz	JCADUKASVZVUTK-UHFFFAOYSA-N	-2	3	352.799	2.132	20	10		FECDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000766046998	680864161	/nfs/dbraw/zinc/86/41/61/680864161.db2.gz	AEZOAZOGNOKJSH-UHFFFAOYSA-N	-2	3	354.315	2.443	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1[O-]	ZINC000289554640	552340284	/nfs/dbraw/zinc/34/02/84/552340284.db2.gz	XLRZJQOPDBGNKJ-JTQLQIEISA-N	-2	3	350.806	2.039	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(N)=O	ZINC000808114141	674441806	/nfs/dbraw/zinc/44/18/06/674441806.db2.gz	RPWZUSWNWNXVQQ-UHFFFAOYSA-N	-2	3	374.777	2.093	20	10		FECDHL
CC(C)c1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1C	ZINC000736533445	600313848	/nfs/dbraw/zinc/31/38/48/600313848.db2.gz	XRIOAKAELOAITJ-UHFFFAOYSA-N	-2	3	352.822	2.384	20	10		FECDHL
O=C([O-])CN(CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1[O-]	ZINC000739783626	600314937	/nfs/dbraw/zinc/31/49/37/600314937.db2.gz	DMFDDNJOFMUXHQ-UHFFFAOYSA-N	-2	3	354.834	2.335	20	10		FECDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000740706241	673651204	/nfs/dbraw/zinc/65/12/04/673651204.db2.gz	SOIDLKUGXMAGCG-UHFFFAOYSA-N	-2	3	351.380	2.273	20	10		FECDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000775286047	681291890	/nfs/dbraw/zinc/29/18/90/681291890.db2.gz	AENJXKMAVYSFLU-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc(F)c1F	ZINC000775286509	681292299	/nfs/dbraw/zinc/29/22/99/681292299.db2.gz	VEAVLICHENSTGK-UHFFFAOYSA-N	-3	3	374.277	2.078	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(C)c1F	ZINC000782913480	682094008	/nfs/dbraw/zinc/09/40/08/682094008.db2.gz	RHYDZINGSYICJH-UHFFFAOYSA-N	-2	3	355.343	2.347	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000790415496	682675148	/nfs/dbraw/zinc/67/51/48/682675148.db2.gz	HHDYNXUFARMPEW-UHFFFAOYSA-N	-2	3	369.370	2.358	20	10		FECDHL
O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270311	684236026	/nfs/dbraw/zinc/23/60/26/684236026.db2.gz	NCEACFKTFWRYKQ-UHFFFAOYSA-N	-2	3	373.283	2.295	20	10		FECDHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000751191371	680159202	/nfs/dbraw/zinc/15/92/02/680159202.db2.gz	YHDKPBSNIVLHBQ-UHFFFAOYSA-N	-3	3	365.363	2.206	20	10		FECDHL
COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1[N-]S(C)(=O)=O	ZINC000751532916	680185948	/nfs/dbraw/zinc/18/59/48/680185948.db2.gz	GFRAKXJQRIFDTQ-UHFFFAOYSA-N	-2	3	366.395	2.039	20	10		FECDHL
O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)C1	ZINC000844934402	681094106	/nfs/dbraw/zinc/09/41/06/681094106.db2.gz	MLZYRWJVAVRWAH-NSHDSACASA-N	-2	3	370.808	2.082	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000795349023	683042696	/nfs/dbraw/zinc/04/26/96/683042696.db2.gz	SHQLBSDLSYJFAS-UHFFFAOYSA-N	-3	3	352.324	2.108	20	10		FECDHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000864340254	683839407	/nfs/dbraw/zinc/83/94/07/683839407.db2.gz	SFSSMQYXCKKJQU-UHFFFAOYSA-N	-2	3	366.351	2.070	20	10		FECDHL
O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000872330702	684937145	/nfs/dbraw/zinc/93/71/45/684937145.db2.gz	MHMYJNSFCXYGCL-UHFFFAOYSA-N	-2	3	370.377	2.308	20	10		FECDHL
CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CCOCC1	ZINC000901963387	690722138	/nfs/dbraw/zinc/72/21/38/690722138.db2.gz	RQIDVKNSRJLQFA-AWEZNQCLSA-N	-2	3	367.826	2.368	20	10		FECDHL
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc21	ZINC000808115131	674442017	/nfs/dbraw/zinc/44/20/17/674442017.db2.gz	PQRURTHFSHQIMX-UHFFFAOYSA-N	-2	3	372.761	2.430	20	10		FECDHL
O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc2N1	ZINC000808115539	674442021	/nfs/dbraw/zinc/44/20/21/674442021.db2.gz	ICMUBBGNCNOWDZ-UHFFFAOYSA-N	-2	3	356.762	2.480	20	10		FECDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000766047388	680864211	/nfs/dbraw/zinc/86/42/11/680864211.db2.gz	HCAGIODFPNWQPY-UHFFFAOYSA-N	-2	3	354.315	2.443	20	10		FECDHL
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286350	681292554	/nfs/dbraw/zinc/29/25/54/681292554.db2.gz	PZSRHIDFZUGQIN-UHFFFAOYSA-N	-2	3	365.367	2.084	20	10		FECDHL
COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1	ZINC000788065254	682500660	/nfs/dbraw/zinc/50/06/60/682500660.db2.gz	BNANSLMTJHEQCO-UHFFFAOYSA-N	-2	3	374.415	2.292	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1[O-]	ZINC000289554643	552340328	/nfs/dbraw/zinc/34/03/28/552340328.db2.gz	XLRZJQOPDBGNKJ-SNVBAGLBSA-N	-2	3	350.806	2.039	20	10		FECDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCN(C(=O)[O-])C1	ZINC000739762521	603344489	/nfs/dbraw/zinc/34/44/89/603344489.db2.gz	QMTJBKKUAYIQJL-LLVKDONJSA-N	-2	3	356.806	2.021	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000775286564	681292375	/nfs/dbraw/zinc/29/23/75/681292375.db2.gz	XIXQMQVRENYPKP-UHFFFAOYSA-N	-2	3	354.340	2.118	20	10		FECDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000779460525	681718029	/nfs/dbraw/zinc/71/80/29/681718029.db2.gz	QYZGAEKRSMAUCV-UHFFFAOYSA-N	-2	3	366.351	2.196	20	10		FECDHL
COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000797820130	683276574	/nfs/dbraw/zinc/27/65/74/683276574.db2.gz	HSGWVIKSTSIZOX-UHFFFAOYSA-N	-2	3	355.343	2.347	20	10		FECDHL
C[S@@](=O)(=NS(=O)(=O)[N-]Cc1c([O-])cccc1F)C1CCCCC1	ZINC000921450549	683471850	/nfs/dbraw/zinc/47/18/50/683471850.db2.gz	AOQKPBBQGHXGKG-QFIPXVFZSA-N	-2	3	364.464	2.296	20	10		FECDHL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1	ZINC000758169333	680559125	/nfs/dbraw/zinc/55/91/25/680559125.db2.gz	OVSSGMJFIOUPOT-UHFFFAOYSA-N	-2	3	361.372	2.189	20	10		FECDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1[O-]	ZINC000290550431	552496648	/nfs/dbraw/zinc/49/66/48/552496648.db2.gz	QISCKTUZIBNBRV-UHFFFAOYSA-N	-3	3	354.384	2.144	20	10		FECDHL
O=C([O-])CN(Cc1nnnn1-c1ccccc1)Cc1cc(Cl)ccc1[O-]	ZINC000739793642	600145196	/nfs/dbraw/zinc/14/51/96/600145196.db2.gz	JIXVIYMDWKMSDT-UHFFFAOYSA-N	-2	3	373.800	2.108	20	10		FECDHL
O=C1COc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2N1	ZINC000776750554	681433112	/nfs/dbraw/zinc/43/31/12/681433112.db2.gz	HIJTVDKNMNPWCW-UHFFFAOYSA-N	-2	3	354.771	2.177	20	10		FECDHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000864339425	683838894	/nfs/dbraw/zinc/83/88/94/683838894.db2.gz	AMRCAVRADNQNET-UHFFFAOYSA-N	-2	3	366.351	2.070	20	10		FECDHL
CCc1cc(=O)[nH]c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000830224757	602236904	/nfs/dbraw/zinc/23/69/04/602236904.db2.gz	VCKNLEGSDHUDOI-UHFFFAOYSA-N	-2	3	351.790	2.190	20	10		FECDHL
CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000825632467	609475058	/nfs/dbraw/zinc/47/50/58/609475058.db2.gz	SXPFEKOCSSVHHO-UHFFFAOYSA-N	-2	3	356.342	2.491	20	10		FECDHL
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc(C(=O)[O-])c1OC	ZINC000327192704	673058292	/nfs/dbraw/zinc/05/82/92/673058292.db2.gz	DJGGGSWRAHOLMY-UHFFFAOYSA-N	-2	3	367.379	2.217	20	10		FECDHL
COc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)ccc1[N+](=O)[O-]	ZINC000766046737	680864178	/nfs/dbraw/zinc/86/41/78/680864178.db2.gz	BTOGUFBMWSMHET-UHFFFAOYSA-N	-2	3	366.351	2.312	20	10		FECDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000766308460	680873460	/nfs/dbraw/zinc/87/34/60/680873460.db2.gz	SKDRMRGXHWLHMH-UHFFFAOYSA-N	-2	3	352.324	2.138	20	10		FECDHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775288062	681292927	/nfs/dbraw/zinc/29/29/27/681292927.db2.gz	IQNOJMPPEFNINI-UHFFFAOYSA-N	-3	3	366.351	2.118	20	10		FECDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C(=O)[O-]	ZINC000797820270	683276152	/nfs/dbraw/zinc/27/61/52/683276152.db2.gz	ONZRPUMVIXMZNL-UHFFFAOYSA-N	-2	3	351.380	2.462	20	10		FECDHL
C[C@@H]1C[C@@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1	ZINC000736749015	600313721	/nfs/dbraw/zinc/31/37/21/600313721.db2.gz	HUWXVPDJLFYJEM-CHWSQXEVSA-N	-2	3	368.861	2.437	20	10		FECDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000753521745	680302085	/nfs/dbraw/zinc/30/20/85/680302085.db2.gz	LYMAKUAWKNOWMB-UHFFFAOYSA-N	-2	3	370.314	2.027	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1N(C)C	ZINC000776434454	681391756	/nfs/dbraw/zinc/39/17/56/681391756.db2.gz	GIXPFEFWIHZHJX-UHFFFAOYSA-N	-2	3	350.396	2.266	20	10		FECDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1N(C)C	ZINC000776434961	681391780	/nfs/dbraw/zinc/39/17/80/681391780.db2.gz	TWARVLZLJBCCEW-UHFFFAOYSA-N	-2	3	350.396	2.266	20	10		FECDHL
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc2O1	ZINC000775285788	681291902	/nfs/dbraw/zinc/29/19/02/681291902.db2.gz	CBAAVCUERLJOML-SECBINFHSA-N	-2	3	350.352	2.425	20	10		FECDHL
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775285783	681292118	/nfs/dbraw/zinc/29/21/18/681292118.db2.gz	BWHQYRPLASSZDI-UHFFFAOYSA-N	-2	3	366.351	2.196	20	10		FECDHL
COCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775287596	681292891	/nfs/dbraw/zinc/29/28/91/681292891.db2.gz	DKPXMIZPDGKRED-UHFFFAOYSA-N	-2	3	352.368	2.290	20	10		FECDHL
CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808115069	674442071	/nfs/dbraw/zinc/44/20/71/674442071.db2.gz	MZTUFTXJLCOYBS-UHFFFAOYSA-N	-2	3	358.778	2.345	20	10		FECDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1OC	ZINC000326742009	673054839	/nfs/dbraw/zinc/05/48/39/673054839.db2.gz	JRLYHQYQECRFDG-UHFFFAOYSA-N	-2	3	367.379	2.217	20	10		FECDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000775286566	681292395	/nfs/dbraw/zinc/29/23/95/681292395.db2.gz	XOUNQUGKWCQDNE-UHFFFAOYSA-N	-2	3	368.367	2.427	20	10		FECDHL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000793409361	682887306	/nfs/dbraw/zinc/88/73/06/682887306.db2.gz	PDAVADISDSHPGG-UHFFFAOYSA-N	-3	3	370.314	2.247	20	10		FECDHL
CC(=O)c1cc(F)cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1[O-]	ZINC000879763814	686903620	/nfs/dbraw/zinc/90/36/20/686903620.db2.gz	HTGHHUIMNYOGIZ-OAHLLOKOSA-N	-2	3	362.323	2.377	20	10		FECDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)o1	ZINC000740176620	599776232	/nfs/dbraw/zinc/77/62/32/599776232.db2.gz	KYNXFMWRERAUMF-UHFFFAOYSA-N	-2	3	364.423	2.447	20	10		FECDHL
COc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c([O-])c1	ZINC000829284449	603931808	/nfs/dbraw/zinc/93/18/08/603931808.db2.gz	JMOKHSVCBLZVST-MRXNPFEDSA-N	-2	3	373.409	2.206	20	10		FECDHL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)C1	ZINC000844934401	681094069	/nfs/dbraw/zinc/09/40/69/681094069.db2.gz	MLZYRWJVAVRWAH-LLVKDONJSA-N	-2	3	370.808	2.082	20	10		FECDHL
CC(=O)c1cc(F)cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1[O-]	ZINC000879763812	686903763	/nfs/dbraw/zinc/90/37/63/686903763.db2.gz	HTGHHUIMNYOGIZ-HNNXBMFYSA-N	-2	3	362.323	2.377	20	10		FECDHL
Cn1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2[O-])c(C(F)(F)F)n1	ZINC000908329585	691660626	/nfs/dbraw/zinc/66/06/26/691660626.db2.gz	RXVJMPORUGBVOO-UHFFFAOYSA-N	-2	3	369.752	2.276	20	10		FECDHL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000322766900	673042736	/nfs/dbraw/zinc/04/27/36/673042736.db2.gz	DOYWFYIFMSWHPS-UHFFFAOYSA-N	-3	3	357.771	2.310	20	10		FECDHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1C	ZINC000775286307	681291834	/nfs/dbraw/zinc/29/18/34/681291834.db2.gz	NMJXWBHDXBXTPU-UHFFFAOYSA-N	-2	3	365.367	2.368	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000790415214	682675021	/nfs/dbraw/zinc/67/50/21/682675021.db2.gz	BJAMBEHMWGHKID-UHFFFAOYSA-N	-2	3	365.407	2.391	20	10		FECDHL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776749071	681433090	/nfs/dbraw/zinc/43/30/90/681433090.db2.gz	WGYCHYNFQLIRCD-UHFFFAOYSA-N	-2	3	365.802	2.037	20	10		FECDHL
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000833820502	605676085	/nfs/dbraw/zinc/67/60/85/605676085.db2.gz	RUVIXQZMONRTSB-RNCFNFMXSA-N	-2	3	359.220	2.012	20	10		FECDHL
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000761994749	680737087	/nfs/dbraw/zinc/73/70/87/680737087.db2.gz	FQRCHGDMIJHTRQ-UHFFFAOYSA-N	-3	3	367.379	2.384	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c([N+](=O)[O-])c1	ZINC000758773069	680606851	/nfs/dbraw/zinc/60/68/51/680606851.db2.gz	HAEAPCRFRFONPK-UHFFFAOYSA-N	-2	3	366.351	2.312	20	10		FECDHL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C1	ZINC000844934171	681094077	/nfs/dbraw/zinc/09/40/77/681094077.db2.gz	LLBGXGZHPCWGAF-SNVBAGLBSA-N	-2	3	370.808	2.082	20	10		FECDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1[O-]	ZINC000775285965	681292041	/nfs/dbraw/zinc/29/20/41/681292041.db2.gz	GSBYCLCCLXVWHA-UHFFFAOYSA-N	-2	3	350.352	2.426	20	10		FECDHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000775287611	681293085	/nfs/dbraw/zinc/29/30/85/681293085.db2.gz	DPUCPKQVFVGSNO-UHFFFAOYSA-N	-3	3	372.742	2.453	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(C)c1F	ZINC000776432764	681391139	/nfs/dbraw/zinc/39/11/39/681391139.db2.gz	BFXVAPPVDHUWJE-UHFFFAOYSA-N	-2	3	355.343	2.347	20	10		FECDHL
C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000288139962	552098253	/nfs/dbraw/zinc/09/82/53/552098253.db2.gz	KLPQGDBQUVMUPL-AUTRQRHGSA-N	-2	3	360.332	2.015	20	10		FECDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c[nH]1	ZINC000290511297	552490563	/nfs/dbraw/zinc/49/05/63/552490563.db2.gz	LRNPYWQXNZMYEN-UHFFFAOYSA-N	-2	3	368.411	2.233	20	10		FECDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[O-]	ZINC000295271534	552979584	/nfs/dbraw/zinc/97/95/84/552979584.db2.gz	HSIHYKDPPJVFPI-JTQLQIEISA-N	-2	3	351.790	2.304	20	10		FECDHL
Cc1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1C1CC1	ZINC000738933765	600314642	/nfs/dbraw/zinc/31/46/42/600314642.db2.gz	JHDWZJNLUQOZND-UHFFFAOYSA-N	-2	3	350.806	2.367	20	10		FECDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000766048281	680864430	/nfs/dbraw/zinc/86/44/30/680864430.db2.gz	QNDPQBPSVGUJRZ-UHFFFAOYSA-N	-2	3	354.315	2.443	20	10		FECDHL
CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc21	ZINC000776433596	681391764	/nfs/dbraw/zinc/39/17/64/681391764.db2.gz	XIGWISXTVFJXCR-UHFFFAOYSA-N	-2	3	362.407	2.274	20	10		FECDHL
COCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)c1C	ZINC000901962163	690721696	/nfs/dbraw/zinc/72/16/96/690721696.db2.gz	AOJXVPAQCOJMEG-UHFFFAOYSA-N	-2	3	363.798	2.403	20	10		FECDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826271921	609528454	/nfs/dbraw/zinc/52/84/54/609528454.db2.gz	MWHYIFRPGFJLNR-UHFFFAOYSA-N	-2	3	365.802	2.335	20	10		FECDHL
COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000757658803	680530784	/nfs/dbraw/zinc/53/07/84/680530784.db2.gz	VACWKWFLYGTOID-UHFFFAOYSA-N	-2	3	351.380	2.080	20	10		FECDHL
O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C1	ZINC000844934170	681094097	/nfs/dbraw/zinc/09/40/97/681094097.db2.gz	LLBGXGZHPCWGAF-JTQLQIEISA-N	-2	3	370.808	2.082	20	10		FECDHL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289684	681293676	/nfs/dbraw/zinc/29/36/76/681293676.db2.gz	ZKVZAFOUKMWLNU-UHFFFAOYSA-N	-3	3	352.324	2.108	20	10		FECDHL
Cc1ccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c([O-])c1O	ZINC000292154926	552698918	/nfs/dbraw/zinc/69/89/18/552698918.db2.gz	CMNYUDPZBHIJPF-PEXQALLHSA-N	-2	3	374.359	2.324	20	10		FECDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])cc1C(C)=O	ZINC000766048839	680864474	/nfs/dbraw/zinc/86/44/74/680864474.db2.gz	WVJNRNCJNFHXPC-UHFFFAOYSA-N	-2	3	366.351	2.312	20	10		FECDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc(C(=O)[O-])c1F	ZINC000775287968	681293163	/nfs/dbraw/zinc/29/31/63/681293163.db2.gz	GTYRARBYGYHWOR-UHFFFAOYSA-N	-3	3	370.314	2.247	20	10		FECDHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1C	ZINC000776434889	681391681	/nfs/dbraw/zinc/39/16/81/681391681.db2.gz	PKXRANVIPWEDFL-UHFFFAOYSA-N	-2	3	364.379	2.158	20	10		FECDHL
Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c([O-])c1O	ZINC000294019732	552875622	/nfs/dbraw/zinc/87/56/22/552875622.db2.gz	YWVIHDGUTZTYMO-MWLCHTKSSA-N	-2	3	360.332	2.078	20	10		FECDHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)[O-]	ZINC000326719444	673054812	/nfs/dbraw/zinc/05/48/12/673054812.db2.gz	DYFGHDTTZAWJHF-UHFFFAOYSA-N	-2	3	365.363	2.313	20	10		FECDHL
O=c1cnc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc2[nH]1	ZINC000821190908	675420815	/nfs/dbraw/zinc/42/08/15/675420815.db2.gz	HVABHUYFJHSDBI-UHFFFAOYSA-N	-2	3	351.771	2.083	20	10		FECDHL
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([O-])cc3F)no2)c1	ZINC000771209286	681046978	/nfs/dbraw/zinc/04/69/78/681046978.db2.gz	BYJKLFZODJKVLW-UHFFFAOYSA-N	-2	3	365.342	2.325	20	10		FECDHL
O=S(=O)([N-]c1cc(F)c([O-])cc1Cl)c1cnn([C@H]2CCOC2)c1	ZINC000901962397	690721624	/nfs/dbraw/zinc/72/16/24/690721624.db2.gz	GWFSZDCNWXMHRD-QMMMGPOBSA-N	-2	3	361.782	2.143	20	10		FECDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826492752	609156684	/nfs/dbraw/zinc/15/66/84/609156684.db2.gz	BCIXTDBUKLSBST-UHFFFAOYSA-N	-2	3	351.775	2.027	20	10		FECDHL
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000776434647	681391692	/nfs/dbraw/zinc/39/16/92/681391692.db2.gz	ICDGGXRDECTOTL-UHFFFAOYSA-N	-2	3	364.379	2.240	20	10		FECDHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000777650047	681517191	/nfs/dbraw/zinc/51/71/91/681517191.db2.gz	QFGROZWRJNPFMP-UHFFFAOYSA-N	-2	3	367.339	2.280	20	10		FECDHL
Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1-c1nn[nH]n1	ZINC000826303873	609156765	/nfs/dbraw/zinc/15/67/65/609156765.db2.gz	KAHUSUDVAGNRJI-UHFFFAOYSA-N	-2	3	365.802	2.335	20	10		FECDHL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000326523538	673053770	/nfs/dbraw/zinc/05/37/70/673053770.db2.gz	VATWHCAFDUTPOS-UHFFFAOYSA-N	-2	3	365.363	2.053	20	10		FECDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000743259702	673754121	/nfs/dbraw/zinc/75/41/21/673754121.db2.gz	KZRWMULVMHGNIP-UHFFFAOYSA-N	-2	3	355.343	2.104	20	10		FECDHL
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775289551	681293078	/nfs/dbraw/zinc/29/30/78/681293078.db2.gz	WAUJPKYLVJIGBJ-UHFFFAOYSA-N	-2	3	366.351	2.196	20	10		FECDHL
CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc([O-])cc3F)cc2C1	ZINC000849307811	681682496	/nfs/dbraw/zinc/68/24/96/681682496.db2.gz	HBWMUWTWTZQACB-UHFFFAOYSA-N	-2	3	370.427	2.298	20	10		FECDHL
O=C([N-]c1n[n-]c(C2=S=CC=C2)n1)c1cc(-c2cccc(F)c2)no1	ZINC000915645868	685517078	/nfs/dbraw/zinc/51/70/78/685517078.db2.gz	MWGUVAYQIXTSAH-UHFFFAOYSA-N	-2	3	355.354	2.477	20	10		FECDHL
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cc([O-])cc(F)c1	ZINC000872341300	684938432	/nfs/dbraw/zinc/93/84/32/684938432.db2.gz	MHDVVZZSFFCQCZ-UHFFFAOYSA-N	-2	3	352.387	2.169	20	10		FECDHL
O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000808113684	674441778	/nfs/dbraw/zinc/44/17/78/674441778.db2.gz	FWABMEUPNMKAOQ-UHFFFAOYSA-N	-3	3	361.734	2.389	20	10		FECDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1CC(=O)[O-]	ZINC000776750887	681433141	/nfs/dbraw/zinc/43/31/41/681433141.db2.gz	MQZJNCYFLBZONJ-UHFFFAOYSA-N	-3	3	371.798	2.482	20	10		FECDHL
O=C([O-])N1CCN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000738719025	602268040	/nfs/dbraw/zinc/26/80/40/602268040.db2.gz	SHAWTIBHIMSAKT-UHFFFAOYSA-N	-3	3	356.378	2.124	20	10		FECDHL
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCN(C(=O)[O-])C1	ZINC000739762524	603343847	/nfs/dbraw/zinc/34/38/47/603343847.db2.gz	QMTJBKKUAYIQJL-NSHDSACASA-N	-2	3	356.806	2.021	20	10		FECDHL
COc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c([O-])c1	ZINC000829284447	603931910	/nfs/dbraw/zinc/93/19/10/603931910.db2.gz	JMOKHSVCBLZVST-INIZCTEOSA-N	-2	3	373.409	2.206	20	10		FECDHL
CCCn1c(C)nnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000833652290	605048051	/nfs/dbraw/zinc/04/80/51/605048051.db2.gz	ITAXZYSNQXATKM-UHFFFAOYSA-N	-2	3	352.822	2.442	20	10		FECDHL
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1)OCO2	ZINC000794871580	683000979	/nfs/dbraw/zinc/00/09/79/683000979.db2.gz	CNHHNVOZWDBEDX-UHFFFAOYSA-N	-2	3	352.324	2.138	20	10		FECDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1[O-]	ZINC000290457082	552481657	/nfs/dbraw/zinc/48/16/57/552481657.db2.gz	DXLDTXSRNQMFMJ-UHFFFAOYSA-N	-3	3	368.411	2.155	20	10		FECDHL
O=C1COc2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc2N1	ZINC000808115734	674442010	/nfs/dbraw/zinc/44/20/10/674442010.db2.gz	QLMORHWPYGDDGA-UHFFFAOYSA-N	-2	3	372.761	2.316	20	10		FECDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000790411870	682674844	/nfs/dbraw/zinc/67/48/44/682674844.db2.gz	RYFFBPOWBDCOBO-UHFFFAOYSA-N	-3	3	365.363	2.152	20	10		FECDHL
O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000911746140	685253048	/nfs/dbraw/zinc/25/30/48/685253048.db2.gz	WBIRELKYRZWOCA-VIFPVBQESA-N	-2	3	361.225	2.112	20	10		FECDHL