smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)c1	ZINC001631922116	1100438918	/nfs/dbraw/zinc/43/89/18/1100438918.db2.gz	SFKUJHGZLJHFDM-UHFFFAOYSA-N	-2	1	345.355	2.526	10	0		EFAEML
COc1ccc(-c2oc3cc(OC)c(OC)c([O-])c3c(=O)c2O)cc1	ZINC000014644964	201365915	/nfs/dbraw/zinc/36/59/15/201365915.db2.gz	SGCYGSKAUSOJND-UHFFFAOYSA-N	-2	1	344.319	2.897	10	0	biogenic,in-vitro	EFAEML
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F	ZINC000320587220	311237790	/nfs/dbraw/zinc/23/77/90/311237790.db2.gz	USNPSGHXFOKBAJ-UHFFFAOYSA-N	-2	1	339.344	2.642	10	0		EFAEML
Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)s1	ZINC000516369196	315673274	/nfs/dbraw/zinc/67/32/74/315673274.db2.gz	MDBUICCNPIGAOD-UHFFFAOYSA-N	-2	1	346.817	2.912	10	0		EFAEML
Cc1nc(C)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])s1	ZINC000548198089	318083883	/nfs/dbraw/zinc/08/38/83/318083883.db2.gz	BKYBKDWKIVUUOY-UHFFFAOYSA-N	-2	1	346.817	2.912	10	0		EFAEML
CC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000548265748	318087336	/nfs/dbraw/zinc/08/73/36/318087336.db2.gz	IOGGAHDPLSRGIV-NSHDSACASA-N	-2	1	329.418	2.960	10	0		EFAEML
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000548544383	318118789	/nfs/dbraw/zinc/11/87/89/318118789.db2.gz	SASRHCOMLFSROJ-VIFPVBQESA-N	-2	1	337.800	2.791	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H](C)C(=O)[O-]	ZINC000568002106	319235549	/nfs/dbraw/zinc/23/55/49/319235549.db2.gz	RHFRADJBTCIBES-NTSWFWBYSA-N	-2	1	344.191	2.520	10	0		EFAEML
CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000576597614	320031840	/nfs/dbraw/zinc/03/18/40/320031840.db2.gz	DVHAAPMDDMSUPD-MRVPVSSYSA-N	-2	1	325.839	2.569	10	0		EFAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1F	ZINC000392343337	323785985	/nfs/dbraw/zinc/78/59/85/323785985.db2.gz	DYFIZNPHGPLCQM-UHFFFAOYSA-N	-2	1	346.339	2.873	10	0		EFAEML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1Cl	ZINC000608342055	479985080	/nfs/dbraw/zinc/98/50/80/479985080.db2.gz	DGWVCJCQPLBKIO-UHFFFAOYSA-N	-2	1	345.735	2.684	10	0		EFAEML
CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1	ZINC000129471759	472546819	/nfs/dbraw/zinc/54/68/19/472546819.db2.gz	WBVBKYACATWAPS-UHFFFAOYSA-N	-2	1	329.374	2.949	10	0		EFAEML
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCC(C)(C)C	ZINC000274978896	474029140	/nfs/dbraw/zinc/02/91/40/474029140.db2.gz	JMCZHHRVSXEOBI-UHFFFAOYSA-N	-2	1	333.381	2.710	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H](C)C(=O)[O-]	ZINC000231727113	474264198	/nfs/dbraw/zinc/26/41/98/474264198.db2.gz	YMLDAUQKJVKSEA-PHDIDXHHSA-N	-2	1	344.191	2.520	10	0		EFAEML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1	ZINC000325092953	474983362	/nfs/dbraw/zinc/98/33/62/474983362.db2.gz	MVWVFCHZHJFABA-UHFFFAOYSA-N	-2	1	342.376	2.663	10	0		EFAEML
COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(OC)c1	ZINC000339204852	475036213	/nfs/dbraw/zinc/03/62/13/475036213.db2.gz	QOIBKPQGLIRTKV-UHFFFAOYSA-N	-2	1	343.788	2.864	10	0		EFAEML
CCc1cc(=O)[n-]c(SCc2noc(-c3ccccc3O)n2)n1	ZINC000375524064	476880509	/nfs/dbraw/zinc/88/05/09/476880509.db2.gz	FRTGDQSBIVXFGN-UHFFFAOYSA-N	-2	1	330.369	2.793	10	0		EFAEML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3)c[nH]1	ZINC000404558690	476919278	/nfs/dbraw/zinc/91/92/78/476919278.db2.gz	QTRJGZPICLLHKV-UHFFFAOYSA-N	-2	1	334.397	2.783	10	0		EFAEML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000448056495	477123791	/nfs/dbraw/zinc/12/37/91/477123791.db2.gz	NYQQCJJSBREPEC-UHFFFAOYSA-N	-2	1	339.344	2.593	10	0		EFAEML
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-]	ZINC000520407449	478308361	/nfs/dbraw/zinc/30/83/61/478308361.db2.gz	CKSMXBGSAQAXGE-ZDUSSCGKSA-N	-2	1	343.376	2.740	10	0		EFAEML
Cc1nc(-c2ccc(N3CCC(C)(C(=O)[O-])CC3)nc2)[n-]c(=O)c1C	ZINC000647457464	481836181	/nfs/dbraw/zinc/83/61/81/481836181.db2.gz	IEIZPFVGMDOTHF-UHFFFAOYSA-N	-2	1	342.399	2.552	10	0		EFAEML
O=C(Nc1nc(Cl)ccc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000790047296	1277217965	/nfs/dbraw/zinc/21/79/65/1277217965.db2.gz	JMUASUNNGZQCGN-UHFFFAOYSA-N	-2	1	348.721	2.723	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000871769609	1287278452	/nfs/dbraw/zinc/27/84/52/1287278452.db2.gz	HRWINRLSWPJPFP-RTXFEEFZSA-N	-2	1	337.397	2.601	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000871769608	1287278697	/nfs/dbraw/zinc/27/86/97/1287278697.db2.gz	HRWINRLSWPJPFP-RAIGVLPGSA-N	-2	1	337.397	2.601	10	0		EFAEML
CN1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc21	ZINC000776481511	1299303926	/nfs/dbraw/zinc/30/39/26/1299303926.db2.gz	ZLEOZDNVYOCKLU-UHFFFAOYSA-N	-2	1	346.408	2.568	10	0		EFAEML
CCOc1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc(Cl)c1[O-]	ZINC000852959344	1299946416	/nfs/dbraw/zinc/94/64/16/1299946416.db2.gz	IOBRVYOCKVCPNI-NSHDSACASA-N	-2	1	341.791	2.675	10	0		EFAEML
Cc1cc(C(=O)NC2(C)CCC(C)(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000862967458	1302518222	/nfs/dbraw/zinc/51/82/22/1302518222.db2.gz	JTLDQBNWXWVBLT-UHFFFAOYSA-N	-2	1	344.415	2.833	10	0		EFAEML
Cc1cc(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001413269382	1309181694	/nfs/dbraw/zinc/18/16/94/1309181694.db2.gz	ZTFNBEWRTVFSIF-UWVGGRQHSA-N	-2	1	344.415	2.547	10	0		EFAEML
O=C(Nc1nc(Br)ccc1[O-])c1cc(F)cc(F)c1[O-]	ZINC001296614291	1322955320	/nfs/dbraw/zinc/95/53/20/1322955320.db2.gz	YVJLGAKGOPKOPF-UHFFFAOYSA-N	-2	1	345.099	2.786	10	0		EFAEML
O=C(NCCc1c(F)cc([O-])cc1F)c1c(F)ccc(O)c1F	ZINC001420043199	1376364168	/nfs/dbraw/zinc/36/41/68/1376364168.db2.gz	IKJXIDGQQLVNPK-UHFFFAOYSA-N	-2	1	329.249	2.627	10	0		EFAEML
Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)s1	ZINC001645759443	1416552822	/nfs/dbraw/zinc/55/28/22/1416552822.db2.gz	LOHAWSFCEBIVOE-UHFFFAOYSA-N	-2	1	349.231	2.720	10	0		EFAEML
COc1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc(Cl)c1[O-]	ZINC000909530882	723096666	/nfs/dbraw/zinc/09/66/66/723096666.db2.gz	DZTYKPNRBVNCQM-MGPLVRAMSA-N	-2	1	341.791	2.818	10	0		EFAEML
COc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(Cl)c1[O-]	ZINC000909493530	723520527	/nfs/dbraw/zinc/52/05/27/723520527.db2.gz	DIWZDDRWOABCGI-JTQLQIEISA-N	-2	1	327.764	2.524	10	0		EFAEML
COc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc(Cl)c1[O-]	ZINC000909702453	727364415	/nfs/dbraw/zinc/36/44/15/727364415.db2.gz	GQKNTILHMMMUEX-MRXNPFEDSA-N	-2	1	341.791	2.627	10	0		EFAEML
O=C([O-])c1cc([N-]S(=O)(=O)CC2(F)CC2)cc(Cl)c1Cl	ZINC000905988776	1103797399	/nfs/dbraw/zinc/79/73/99/1103797399.db2.gz	RUVLSVNALUHLCM-UHFFFAOYSA-N	-2	1	342.175	2.935	10	0		EFAEML
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1	ZINC000193474202	240107405	/nfs/dbraw/zinc/10/74/05/240107405.db2.gz	WYDOHYOSHUETSB-UHFFFAOYSA-N	-2	1	334.328	2.806	10	0		EFAEML
Cc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc(C(=O)[O-])c1C	ZINC000348868774	146016843	/nfs/dbraw/zinc/01/68/43/146016843.db2.gz	ZLBKJDJEVDLKAO-UHFFFAOYSA-N	-2	1	339.344	2.647	10	0		EFAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000013313177	544425343	/nfs/dbraw/zinc/42/53/43/544425343.db2.gz	IZRXUTISOIROTL-UHFFFAOYSA-N	-2	1	329.736	2.978	10	0		EFAEML
CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1C	ZINC000477340476	313241712	/nfs/dbraw/zinc/24/17/12/313241712.db2.gz	UDZTVXWCKGTJPZ-UHFFFAOYSA-N	-2	1	335.381	2.762	10	0		EFAEML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC000547865814	318049721	/nfs/dbraw/zinc/04/97/21/318049721.db2.gz	FNURSCURWGPHNB-UHFFFAOYSA-N	-2	1	345.298	2.744	10	0		EFAEML
C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547885800	318051288	/nfs/dbraw/zinc/05/12/88/318051288.db2.gz	WQBNRDAPHNHZKJ-BXUZGUMPSA-N	-2	1	349.811	2.791	10	0		EFAEML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccsc1	ZINC000548193601	318083588	/nfs/dbraw/zinc/08/35/88/318083588.db2.gz	ZPRYOTSGUMYPJV-LLVKDONJSA-N	-2	1	347.364	2.521	10	0		EFAEML
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C(CC)CC	ZINC000548264259	318087415	/nfs/dbraw/zinc/08/74/15/318087415.db2.gz	JHJMAONJOGQKLQ-UHFFFAOYSA-N	-2	1	333.381	2.853	10	0		EFAEML
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000548544382	318118794	/nfs/dbraw/zinc/11/87/94/318118794.db2.gz	SASRHCOMLFSROJ-SECBINFHSA-N	-2	1	337.800	2.791	10	0		EFAEML
Cc1nc(-c2ccc(N[C@H]3CC[C@@H](C(=O)[O-])C3)nc2)[n-]c(=O)c1C	ZINC000578752959	320236085	/nfs/dbraw/zinc/23/60/85/320236085.db2.gz	CIEVBXYRKFFRHM-YPMHNXCESA-N	-2	1	328.372	2.526	10	0		EFAEML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1F	ZINC000013269539	323210980	/nfs/dbraw/zinc/21/09/80/323210980.db2.gz	VUKZRTYGTDNPFL-UHFFFAOYSA-N	-2	1	329.736	2.978	10	0		EFAEML
CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC(=O)[O-]	ZINC000147346849	473308763	/nfs/dbraw/zinc/30/87/63/473308763.db2.gz	VXNLDMDXHGZHHB-ZCFIWIBFSA-N	-2	1	346.257	2.834	10	0		EFAEML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(O)cccc1F	ZINC000608004443	479909177	/nfs/dbraw/zinc/90/91/77/479909177.db2.gz	JBIJJEUXJDTRIF-UHFFFAOYSA-N	-2	1	339.344	2.593	10	0		EFAEML
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000054795539	472116610	/nfs/dbraw/zinc/11/66/10/472116610.db2.gz	BQABROHQFAYSBY-UHFFFAOYSA-N	-3	1	349.364	2.501	10	0		EFAEML
Cc1ccc(-c2nc([N-]C(=O)c3snnc3C(C)(C)C)n[nH]2)o1	ZINC000191959664	473594348	/nfs/dbraw/zinc/59/43/48/473594348.db2.gz	GZORYOQQQSLMPC-UHFFFAOYSA-N	-2	1	332.389	2.774	10	0		EFAEML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)s1	ZINC000230325191	474259931	/nfs/dbraw/zinc/25/99/31/474259931.db2.gz	PHBWOTWIBPUSPX-UHFFFAOYSA-N	-2	1	342.785	2.772	10	0		EFAEML
COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c(C(=O)[O-])c1	ZINC000317100167	474885106	/nfs/dbraw/zinc/88/51/06/474885106.db2.gz	FJFXSNFVZZXNIL-UHFFFAOYSA-N	-2	1	341.410	2.873	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C)c1OCC(=O)[O-]	ZINC000338340051	475803474	/nfs/dbraw/zinc/80/34/74/475803474.db2.gz	VYTXTVFDMNWZEI-UHFFFAOYSA-N	-2	1	335.381	2.568	10	0		EFAEML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1	ZINC000359045443	476141644	/nfs/dbraw/zinc/14/16/44/476141644.db2.gz	IHUGSWORRSPCRG-UHFFFAOYSA-N	-2	1	348.405	2.724	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)[C@H](C)C(=O)[O-]	ZINC000573660104	479114386	/nfs/dbraw/zinc/11/43/86/479114386.db2.gz	PADYSIKYAHJRTI-JGVFFNPUSA-N	-2	1	347.845	2.942	10	0		EFAEML
CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc(C(=O)[O-])nc2)c1=O	ZINC000634609899	480375220	/nfs/dbraw/zinc/37/52/20/480375220.db2.gz	MFTNJBNQUJTOCB-KRWDZBQOSA-N	-2	1	337.379	2.997	10	0		EFAEML
Cc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000648703042	481678047	/nfs/dbraw/zinc/67/80/47/481678047.db2.gz	GZKXTWMZFCCUHD-CYBMUJFWSA-N	-2	1	342.399	2.539	10	0		EFAEML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(N)c1	ZINC000681562605	549568102	/nfs/dbraw/zinc/56/81/02/549568102.db2.gz	YQOOTBCHOANCRT-UHFFFAOYSA-N	-2	1	340.788	2.730	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1sccc1Cl	ZINC000871769506	1287278055	/nfs/dbraw/zinc/27/80/55/1287278055.db2.gz	KLGYQBFJSPYDEH-NQMVMOMDSA-N	-2	1	337.850	2.569	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000871770982	1287280204	/nfs/dbraw/zinc/28/02/04/1287280204.db2.gz	PGXBJNYBVHZINJ-PTRXPTGYSA-N	-2	1	349.811	2.647	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000871770979	1287280962	/nfs/dbraw/zinc/28/09/62/1287280962.db2.gz	PGXBJNYBVHZINJ-LNLATYFQSA-N	-2	1	349.811	2.647	10	0		EFAEML
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2ccccc2c1[O-]	ZINC000160775329	1424520655	/nfs/dbraw/zinc/52/06/55/1424520655.db2.gz	QBDILFGDVPILSB-UHFFFAOYSA-N	-2	1	345.362	2.902	10	0		EFAEML
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc2ccccc2c1[O-]	ZINC000160775329	1424520660	/nfs/dbraw/zinc/52/06/60/1424520660.db2.gz	QBDILFGDVPILSB-UHFFFAOYSA-N	-2	1	345.362	2.902	10	0		EFAEML
COc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-]	ZINC000909530887	723096594	/nfs/dbraw/zinc/09/65/94/723096594.db2.gz	DZTYKPNRBVNCQM-QLJPJBMISA-N	-2	1	341.791	2.818	10	0		EFAEML
CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000262491035	724154540	/nfs/dbraw/zinc/15/45/40/724154540.db2.gz	UXENYZXBRIGGDH-VIFPVBQESA-N	-2	1	337.800	2.504	10	0		EFAEML
CCOc1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc(Cl)c1[O-]	ZINC000910295538	727431309	/nfs/dbraw/zinc/43/13/09/727431309.db2.gz	MJWKBIHQQDQVIA-UHFFFAOYSA-N	-2	1	339.775	2.666	10	0		EFAEML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)C)cc1	ZINC000032971228	212883002	/nfs/dbraw/zinc/88/30/02/212883002.db2.gz	FAVGDJBZHIJQLJ-UHFFFAOYSA-N	-2	1	348.424	2.814	10	0		EFAEML
Cc1ccc([O-])c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000095381778	218314911	/nfs/dbraw/zinc/31/49/11/218314911.db2.gz	UAZPWOURUFKMEJ-UHFFFAOYSA-N	-2	1	341.772	2.853	10	0		EFAEML
CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F	ZINC000547590042	318020143	/nfs/dbraw/zinc/02/01/43/318020143.db2.gz	YYUSLYBOMCRDAW-UHFFFAOYSA-N	-2	1	341.307	2.825	10	0		EFAEML
CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC	ZINC000547608966	318021266	/nfs/dbraw/zinc/02/12/66/318021266.db2.gz	FLXMLENGZDRISZ-SNVBAGLBSA-N	-2	1	345.417	2.580	10	0		EFAEML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1	ZINC000547610344	318021629	/nfs/dbraw/zinc/02/16/29/318021629.db2.gz	MRDPMJDBHIJRSJ-NSHDSACASA-N	-2	1	334.397	2.648	10	0		EFAEML
O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2Cl)c1O	ZINC000547869109	318050263	/nfs/dbraw/zinc/05/02/63/318050263.db2.gz	OSCIODUWATZIRL-UHFFFAOYSA-N	-2	1	341.772	2.686	10	0		EFAEML
O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000548220483	318085061	/nfs/dbraw/zinc/08/50/61/318085061.db2.gz	DHZFAFALPZUMCK-ZDUSSCGKSA-N	-2	1	337.397	2.745	10	0		EFAEML
COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000548530953	318118033	/nfs/dbraw/zinc/11/80/33/318118033.db2.gz	MVNCKKZMSGBBTK-UHFFFAOYSA-N	-2	1	349.408	2.949	10	0		EFAEML
CC(C)(CCC[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000548554818	318119203	/nfs/dbraw/zinc/11/92/03/318119203.db2.gz	CLRBGWPUQDYAAL-UHFFFAOYSA-N	-2	1	337.800	2.648	10	0		EFAEML
C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H](C)C(=O)[O-]	ZINC000568002109	319235598	/nfs/dbraw/zinc/23/55/98/319235598.db2.gz	RHFRADJBTCIBES-WDSKDSINSA-N	-2	1	344.191	2.520	10	0		EFAEML
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1	ZINC000339199784	475032595	/nfs/dbraw/zinc/03/25/95/475032595.db2.gz	BFFBRRYPKSEANX-UHFFFAOYSA-N	-2	1	341.772	2.633	10	0		EFAEML
CC(C)(CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-]	ZINC000563868089	478649363	/nfs/dbraw/zinc/64/93/63/478649363.db2.gz	QHDMOFBLADEBPX-UHFFFAOYSA-N	-2	1	343.376	2.741	10	0		EFAEML
Cc1c([N-]S(=O)(=O)c2cccc(N(C)C)c2)cccc1C(=O)[O-]	ZINC000582702435	478663575	/nfs/dbraw/zinc/66/35/75/478663575.db2.gz	WFOISPLIJKIXKJ-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
COc1cc(C)c([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])c1	ZINC000565669173	479060586	/nfs/dbraw/zinc/06/05/86/479060586.db2.gz	JVGIVDDZLJYLCU-UHFFFAOYSA-N	-2	1	327.383	2.564	10	0		EFAEML
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000514863541	479078476	/nfs/dbraw/zinc/07/84/76/479078476.db2.gz	YECPFMJABUJFNU-MRVPVSSYSA-N	-2	1	325.839	2.569	10	0		EFAEML
CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc(C(=O)[O-])nc2)c1=O	ZINC000634609900	480375660	/nfs/dbraw/zinc/37/56/60/480375660.db2.gz	MFTNJBNQUJTOCB-QGZVFWFLSA-N	-2	1	337.379	2.997	10	0		EFAEML
CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc(C(=O)[O-])cn2)c1=O	ZINC000634609575	480376006	/nfs/dbraw/zinc/37/60/06/480376006.db2.gz	HFDQEUIGYLJDEE-QGZVFWFLSA-N	-2	1	337.379	2.997	10	0		EFAEML
C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000629878804	480437499	/nfs/dbraw/zinc/43/74/99/480437499.db2.gz	PZAOVIGTPMWXFN-VSQXVHSFSA-N	-2	1	342.399	2.563	10	0		EFAEML
CCOc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc(Cl)c1[O-]	ZINC000663150899	482087947	/nfs/dbraw/zinc/08/79/47/482087947.db2.gz	AKKAYLJLEMQYGN-LLVKDONJSA-N	-2	1	341.791	2.675	10	0		EFAEML
CCOc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc(Cl)c1[O-]	ZINC000663150903	482088105	/nfs/dbraw/zinc/08/81/05/482088105.db2.gz	AKKAYLJLEMQYGN-NSHDSACASA-N	-2	1	341.791	2.675	10	0		EFAEML
CO[C@H](CS(=O)(=O)[N-]c1c([O-])cccc1F)C1CCCCC1	ZINC000656624523	546866849	/nfs/dbraw/zinc/86/68/49/546866849.db2.gz	OPNODFCHMJJARK-CQSZACIVSA-N	-2	1	331.409	2.868	10	0		EFAEML
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1	ZINC000766053872	577102416	/nfs/dbraw/zinc/10/24/16/577102416.db2.gz	XAMFCQMFFODCIY-UHFFFAOYSA-N	-2	1	345.367	2.664	10	0		EFAEML
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000776613973	1299784582	/nfs/dbraw/zinc/78/45/82/1299784582.db2.gz	CROPDDFOGBYQHN-LDYMZIIASA-N	-2	1	337.800	2.647	10	0		EFAEML
O=C(Nc1cccc(F)c1[O-])c1nn(-c2ccccc2F)cc1[O-]	ZINC001302486981	1324579283	/nfs/dbraw/zinc/57/92/83/1324579283.db2.gz	SXSVZQBKSULQKF-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)c1ccccc1[O-]	ZINC001470331654	1397086707	/nfs/dbraw/zinc/08/67/07/1397086707.db2.gz	LSDBRCHTNXBNEL-UHFFFAOYSA-N	-2	1	336.351	2.542	10	0		EFAEML
Oc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1Br	ZINC000062702613	1423417177	/nfs/dbraw/zinc/41/71/77/1423417177.db2.gz	GJTPZWIGAPYNEY-UHFFFAOYSA-N	-2	1	346.188	2.947	10	0		EFAEML
CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3nn[n-]n3)n2)cc1	ZINC000408500780	1427018638	/nfs/dbraw/zinc/01/86/38/1427018638.db2.gz	PIINDSWFBSOTIM-UHFFFAOYSA-N	-2	1	342.428	2.802	10	0		EFAEML
CC(C)C[C@@](C)(C[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000926578258	716898529	/nfs/dbraw/zinc/89/85/29/716898529.db2.gz	WPGLYMCVWRYLGG-LBPRGKRZSA-N	-2	1	339.866	2.817	10	0		EFAEML
O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000910295607	727431196	/nfs/dbraw/zinc/43/11/96/727431196.db2.gz	OPPUHEQYVQLTHJ-UHFFFAOYSA-N	-2	1	329.274	2.633	10	0		EFAEML
O=C(Nc1ccc([O-])c(F)c1F)c1nn(-c2ccccc2F)cc1[O-]	ZINC001623996877	1099649381	/nfs/dbraw/zinc/64/93/81/1099649381.db2.gz	CCMQGBJWNODMOD-UHFFFAOYSA-N	-2	1	349.268	2.953	10	0		EFAEML
O=C(Nc1cccc(F)c1[O-])c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC001635724886	1100676383	/nfs/dbraw/zinc/67/63/83/1100676383.db2.gz	DTUCHMUCCVAVBU-UHFFFAOYSA-N	-2	1	349.268	2.953	10	0		EFAEML
Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2o1	ZINC000074838594	1102495081	/nfs/dbraw/zinc/49/50/81/1102495081.db2.gz	AAANOLKHXXSXML-UHFFFAOYSA-N	-2	1	332.337	2.635	10	0		EFAEML
CCOC(=O)NC(=S)[N-]c1ccc(Br)cc1C(=O)[O-]	ZINC000116063354	544572750	/nfs/dbraw/zinc/57/27/50/544572750.db2.gz	OZJLGIVNMFKHRW-UHFFFAOYSA-N	-2	1	347.190	2.590	10	0		EFAEML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1	ZINC000432639673	312575492	/nfs/dbraw/zinc/57/54/92/312575492.db2.gz	AHBMAXBBYVGQQG-UHFFFAOYSA-N	-2	1	344.392	2.986	10	0		EFAEML
COCc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cc1	ZINC000478706569	313254353	/nfs/dbraw/zinc/25/43/53/313254353.db2.gz	SZNJGHNWLGAVMZ-UHFFFAOYSA-N	-2	1	349.408	2.949	10	0		EFAEML
CCC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC	ZINC000547608965	318021254	/nfs/dbraw/zinc/02/12/54/318021254.db2.gz	FLXMLENGZDRISZ-JTQLQIEISA-N	-2	1	345.417	2.580	10	0		EFAEML
C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547885802	318051498	/nfs/dbraw/zinc/05/14/98/318051498.db2.gz	WQBNRDAPHNHZKJ-RISCZKNCSA-N	-2	1	349.811	2.791	10	0		EFAEML
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](C)CC	ZINC000547934371	318053318	/nfs/dbraw/zinc/05/33/18/318053318.db2.gz	BCONYMIMMBVALZ-LLVKDONJSA-N	-2	1	329.418	2.961	10	0		EFAEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2)cc1F	ZINC000547934283	318053577	/nfs/dbraw/zinc/05/35/77/318053577.db2.gz	LNOKROCEOVPIPG-UHFFFAOYSA-N	-2	1	327.308	2.772	10	0		EFAEML
CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC	ZINC000548263853	318087323	/nfs/dbraw/zinc/08/73/23/318087323.db2.gz	WMZYIHMNTWSOLD-SECBINFHSA-N	-2	1	333.381	2.710	10	0		EFAEML
CCC[C@H](C)CS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC	ZINC000548263860	318087330	/nfs/dbraw/zinc/08/73/30/318087330.db2.gz	WMZYIHMNTWSOLD-VIFPVBQESA-N	-2	1	333.381	2.710	10	0		EFAEML
CCCC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)[O-]	ZINC000232977817	474266566	/nfs/dbraw/zinc/26/65/66/474266566.db2.gz	CUHBCQLAQQNKJY-SNVBAGLBSA-N	-2	1	330.178	2.528	10	0		EFAEML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000339210603	475043596	/nfs/dbraw/zinc/04/35/96/475043596.db2.gz	NEYTVVWCUSJENJ-UHFFFAOYSA-N	-3	1	345.735	2.684	10	0		EFAEML
Cc1c([N-]S(=O)(=O)c2cc([O-])cc(F)c2)cnn1C1CCCC1	ZINC000583650754	478906832	/nfs/dbraw/zinc/90/68/32/478906832.db2.gz	AGQLRUCQXWESRB-UHFFFAOYSA-N	-2	1	339.392	2.952	10	0		EFAEML
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000514863542	479078514	/nfs/dbraw/zinc/07/85/14/479078514.db2.gz	YECPFMJABUJFNU-QMMMGPOBSA-N	-2	1	325.839	2.569	10	0		EFAEML
C/C=C/C[C@@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000629878801	480437475	/nfs/dbraw/zinc/43/74/75/480437475.db2.gz	PZAOVIGTPMWXFN-AAOUONPWSA-N	-2	1	342.399	2.563	10	0		EFAEML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnccc2Cl)c1	ZINC000129319836	1248564463	/nfs/dbraw/zinc/56/44/63/1248564463.db2.gz	SBJNMUULLJFNHA-UHFFFAOYSA-N	-2	1	347.179	2.887	10	0		EFAEML
O=C(Nc1nc(Cl)ccc1[O-])c1nn(-c2ccccc2F)cc1[O-]	ZINC000790063719	1277228166	/nfs/dbraw/zinc/22/81/66/1277228166.db2.gz	RXCMTBJZTGBALH-UHFFFAOYSA-N	-2	1	348.721	2.723	10	0		EFAEML
O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2oc(=S)[n-]c2c1	ZINC001142791351	1446888613	/nfs/dbraw/zinc/88/86/13/1446888613.db2.gz	SQRYQGJLPJQGTR-UHFFFAOYSA-N	-2	1	338.352	2.549	10	0		EFAEML
CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-]	ZINC000909863577	727392849	/nfs/dbraw/zinc/39/28/49/727392849.db2.gz	WLPOJPBVDRPIDE-KCJUWKMLSA-N	-2	1	329.780	2.673	10	0		EFAEML
O=C([O-])CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCCC1	ZINC000910063112	727409256	/nfs/dbraw/zinc/40/92/56/727409256.db2.gz	ZBZHLFUAPZGPPG-UHFFFAOYSA-N	-2	1	332.331	2.549	10	0		EFAEML
C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1CC(=O)[O-]	ZINC000910860724	727469034	/nfs/dbraw/zinc/46/90/34/727469034.db2.gz	HSRQABUOYHGKAN-RKDXNWHRSA-N	-2	1	331.290	2.594	10	0		EFAEML
Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1	ZINC000263539186	301068957	/nfs/dbraw/zinc/06/89/57/301068957.db2.gz	BMQVMJBFAITPQX-VHSXEESVSA-N	-2	1	342.189	2.758	10	0		EFAEML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000547556604	318018644	/nfs/dbraw/zinc/01/86/44/318018644.db2.gz	ABDHXKVSZSYDHP-UHFFFAOYSA-N	-2	1	344.392	2.983	10	0		EFAEML
O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547567576	318019142	/nfs/dbraw/zinc/01/91/42/318019142.db2.gz	ALMFRQYCYPFELO-GFCCVEGCSA-N	-2	1	349.811	2.791	10	0		EFAEML
CC(C)(CCC[N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000547567705	318019613	/nfs/dbraw/zinc/01/96/13/318019613.db2.gz	COOFPMRWQPIVQM-UHFFFAOYSA-N	-2	1	325.386	2.602	10	0		EFAEML
CC(C)n1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1	ZINC000547869495	318050467	/nfs/dbraw/zinc/05/04/67/318050467.db2.gz	CBUWDCBKKIGEIY-UHFFFAOYSA-N	-2	1	343.792	2.616	10	0		EFAEML
CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000548591474	318121449	/nfs/dbraw/zinc/12/14/49/318121449.db2.gz	ALFYBUSGMHDPBT-GFCCVEGCSA-N	-2	1	343.445	2.890	10	0		EFAEML
Cc1ccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)cc1C(=O)[O-]	ZINC000549520085	318176114	/nfs/dbraw/zinc/17/61/14/318176114.db2.gz	NDJIMJPRNHHGNC-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000568002108	319235756	/nfs/dbraw/zinc/23/57/56/319235756.db2.gz	RHFRADJBTCIBES-RITPCOANSA-N	-2	1	344.191	2.520	10	0		EFAEML
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1	ZINC000570201670	319453564	/nfs/dbraw/zinc/45/35/64/319453564.db2.gz	BGPYZXQSGXKAHO-ZKCHVHJHSA-N	-2	1	345.829	2.696	10	0		EFAEML
COc1cc([N-]S(=O)(=O)c2cccs2)c(Cl)cc1C(=O)[O-]	ZINC000013341247	323211444	/nfs/dbraw/zinc/21/14/44/323211444.db2.gz	YOHIXBVGDCSDEJ-UHFFFAOYSA-N	-2	1	347.801	2.909	10	0		EFAEML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1	ZINC000148728967	473321047	/nfs/dbraw/zinc/32/10/47/473321047.db2.gz	ODSOHIXRYFCBEQ-UHFFFAOYSA-N	-2	1	341.772	2.853	10	0		EFAEML
Cc1cccc([C@H](Nc2ccc3c(c2)NC(=O)CO3)P(=O)([O-])[O-])c1	ZINC000012523579	471778313	/nfs/dbraw/zinc/77/83/13/471778313.db2.gz	VQUNDZFMRNXVRL-MRXNPFEDSA-N	-2	1	348.295	2.614	10	0		EFAEML
CC(=C([O-])c1ccccc1)S(=O)(=O)C(C)=C([O-])c1ccccc1	ZINC000167205294	473534198	/nfs/dbraw/zinc/53/41/98/473534198.db2.gz	QQGQYGBAPPHFHK-KBPBESRZSA-N	-2	1	330.405	2.944	10	0		EFAEML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)ccc1C#N	ZINC000324232507	474963068	/nfs/dbraw/zinc/96/30/68/474963068.db2.gz	XXDQQWKJBPAAIZ-UHFFFAOYSA-N	-2	1	330.365	2.674	10	0		EFAEML
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000436480102	477489293	/nfs/dbraw/zinc/48/92/93/477489293.db2.gz	YWJSEIWSMYIJES-UHFFFAOYSA-N	-2	1	337.735	2.816	10	0		EFAEML
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC(=O)[O-]	ZINC000565057382	478902334	/nfs/dbraw/zinc/90/23/34/478902334.db2.gz	FJASGBCUEXIGSO-ZCFIWIBFSA-N	-2	1	344.191	2.522	10	0		EFAEML
C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)[C@H](C)C(=O)[O-]	ZINC000573660106	479114078	/nfs/dbraw/zinc/11/40/78/479114078.db2.gz	PADYSIKYAHJRTI-YUMQZZPRSA-N	-2	1	347.845	2.942	10	0		EFAEML
CC(C)(C(=O)[O-])C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1	ZINC000647741376	481084882	/nfs/dbraw/zinc/08/48/82/481084882.db2.gz	CGZNHJMVLKSFTL-UHFFFAOYSA-N	-2	1	348.399	2.504	10	0		EFAEML
O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1	ZINC000647923227	481186693	/nfs/dbraw/zinc/18/66/93/481186693.db2.gz	MCRQYHKRRXBJMY-UHFFFAOYSA-N	-2	1	341.772	2.686	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000871769610	1287278008	/nfs/dbraw/zinc/27/80/08/1287278008.db2.gz	HRWINRLSWPJPFP-WXHSDQCUSA-N	-2	1	337.397	2.601	10	0		EFAEML
O=C([O-])c1ccccc1-n1[n-]c2c(c1=O)CCN(Cc1ccccc1)C2	ZINC000871947537	1287374113	/nfs/dbraw/zinc/37/41/13/1287374113.db2.gz	DHGAUKGVLHJZFN-HNNXBMFYSA-N	-2	1	349.390	2.610	10	0		EFAEML
O=S(=O)([N-]c1cnn(C2CCCC2)c1)c1cc([O-])cc(F)c1	ZINC000901765204	1311018138	/nfs/dbraw/zinc/01/81/38/1311018138.db2.gz	CALXZWOLCWQRNT-UHFFFAOYSA-N	-2	1	325.365	2.644	10	0		EFAEML
O=C(NCCc1c(F)cc([O-])cc1F)c1cc(F)c(F)c([O-])c1F	ZINC001558515775	1415185019	/nfs/dbraw/zinc/18/50/19/1415185019.db2.gz	JVBGIZLDQDEYBX-UHFFFAOYSA-N	-2	1	347.239	2.766	10	0		EFAEML
CSc1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(=O)[n-]1	ZINC001566296982	1415538682	/nfs/dbraw/zinc/53/86/82/1415538682.db2.gz	LYDUTWMFGWOBFI-UHFFFAOYSA-N	-2	1	334.382	2.586	10	0		EFAEML
CC[C@@H](C)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-]	ZINC000909863579	727392811	/nfs/dbraw/zinc/39/28/11/727392811.db2.gz	WLPOJPBVDRPIDE-LDYMZIIASA-N	-2	1	329.780	2.673	10	0		EFAEML
CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1	ZINC000910118026	727415010	/nfs/dbraw/zinc/41/50/10/727415010.db2.gz	PLVQUBGXPLOLQJ-INIZCTEOSA-N	-2	1	341.791	2.914	10	0		EFAEML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CC1(F)CCC1	ZINC000905987158	1103793739	/nfs/dbraw/zinc/79/37/39/1103793739.db2.gz	NARQCAPFFBBXDM-UHFFFAOYSA-N	-2	1	335.784	2.981	10	0		EFAEML
Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc(C)c1Cl	ZINC000442214442	250072831	/nfs/dbraw/zinc/07/28/31/250072831.db2.gz	BRSGCMKWMXOFNE-UHFFFAOYSA-N	-2	1	328.777	2.784	10	0		EFAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1CCCCC1	ZINC000315550118	311234651	/nfs/dbraw/zinc/23/46/51/311234651.db2.gz	MUWGPTCWOHHGQH-UHFFFAOYSA-N	-2	1	327.402	2.715	10	0		EFAEML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1	ZINC000547610343	318021471	/nfs/dbraw/zinc/02/14/71/318021471.db2.gz	MRDPMJDBHIJRSJ-LLVKDONJSA-N	-2	1	334.397	2.648	10	0		EFAEML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccsc1	ZINC000548193603	318083442	/nfs/dbraw/zinc/08/34/42/318083442.db2.gz	ZPRYOTSGUMYPJV-NSHDSACASA-N	-2	1	347.364	2.521	10	0		EFAEML
CCc1nc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc2o1	ZINC000548198623	318084038	/nfs/dbraw/zinc/08/40/38/318084038.db2.gz	ANXGHACCYVGLOK-UHFFFAOYSA-N	-2	1	346.364	2.889	10	0		EFAEML
Cc1cc([N-]S(=O)(=O)c2cccc(N(C)C)c2)ccc1C(=O)[O-]	ZINC000567545474	319180998	/nfs/dbraw/zinc/18/09/98/319180998.db2.gz	WJWZTWDRRICACY-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
CCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1C	ZINC000182433691	474174699	/nfs/dbraw/zinc/17/46/99/474174699.db2.gz	KQSVQEKUMPRPMG-UHFFFAOYSA-N	-2	1	333.409	2.985	10	0		EFAEML
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1	ZINC000338339008	475803535	/nfs/dbraw/zinc/80/35/35/475803535.db2.gz	RYDUCJYOUALVGB-UHFFFAOYSA-N	-2	1	349.408	2.876	10	0		EFAEML
Cc1cc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000346877858	475932787	/nfs/dbraw/zinc/93/27/87/475932787.db2.gz	SAZCBISRGSTDET-JQWIXIFHSA-N	-2	1	344.415	2.691	10	0		EFAEML
C/C=C/C[C@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000629878803	480437656	/nfs/dbraw/zinc/43/76/56/480437656.db2.gz	PZAOVIGTPMWXFN-PCAWENJQSA-N	-2	1	342.399	2.563	10	0		EFAEML
CC(C)(C)c1cc(CS(=O)(=O)[N-]c2c([O-])cccc2F)no1	ZINC000671660128	547640833	/nfs/dbraw/zinc/64/08/33/547640833.db2.gz	DKDVVESLLVGHLC-UHFFFAOYSA-N	-2	1	328.365	2.759	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000871770976	1287280715	/nfs/dbraw/zinc/28/07/15/1287280715.db2.gz	PGXBJNYBVHZINJ-KBVBSXBZSA-N	-2	1	349.811	2.647	10	0		EFAEML
Cc1cc(C(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001413269374	1309182143	/nfs/dbraw/zinc/18/21/43/1309182143.db2.gz	ZTFNBEWRTVFSIF-IAZYJMLFSA-N	-2	1	344.415	2.547	10	0		EFAEML
COc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc(Cl)c1[O-]	ZINC000909702452	727364377	/nfs/dbraw/zinc/36/43/77/727364377.db2.gz	GQKNTILHMMMUEX-INIZCTEOSA-N	-2	1	341.791	2.627	10	0		EFAEML
COc1cc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc(Cl)c1[O-]	ZINC000909692873	727367411	/nfs/dbraw/zinc/36/74/11/727367411.db2.gz	FYRBEJMAECBERS-OAHLLOKOSA-N	-2	1	329.780	2.673	10	0		EFAEML
CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1	ZINC000910118027	727414987	/nfs/dbraw/zinc/41/49/87/727414987.db2.gz	PLVQUBGXPLOLQJ-MRXNPFEDSA-N	-2	1	341.791	2.914	10	0		EFAEML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c1	ZINC000062272864	1088496108	/nfs/dbraw/zinc/49/61/08/1088496108.db2.gz	YGOLCYMKHNGMOR-UHFFFAOYSA-N	-2	1	345.376	2.778	10	0		EFAEML
O=C(Nc1nc(Br)ccc1[O-])c1cccc(F)c1[O-]	ZINC001616740986	1099191110	/nfs/dbraw/zinc/19/11/10/1099191110.db2.gz	WEFKQAATSKLMSZ-UHFFFAOYSA-N	-2	1	327.109	2.647	10	0		EFAEML
O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)CC3(F)CCC3)ccc12	ZINC000905986067	1103795068	/nfs/dbraw/zinc/79/50/68/1103795068.db2.gz	GPXMQGDFGCEGIT-UHFFFAOYSA-N	-2	1	326.349	2.500	10	0		EFAEML
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000182492732	1118617059	/nfs/dbraw/zinc/61/70/59/1118617059.db2.gz	LSZYMNYSYDKTPN-UHFFFAOYSA-N	-2	1	336.200	2.542	10	0		EFAEML
Cc1nc(-c2cc(Br)ccc2Cl)[n-]c(=O)c1C(=O)[O-]	ZINC000037287990	213139241	/nfs/dbraw/zinc/13/92/41/213139241.db2.gz	GGAUOROFDKUKPS-UHFFFAOYSA-N	-2	1	343.564	2.859	10	0		EFAEML
Cc1nc(C=Cc2ccc([O-])c(Cl)c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000193403818	240104061	/nfs/dbraw/zinc/10/40/61/240104061.db2.gz	KGELNRUBCFFAHL-ZZXKWVIFSA-N	-2	1	334.759	2.625	10	0		EFAEML
O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547567579	318019601	/nfs/dbraw/zinc/01/96/01/318019601.db2.gz	ALMFRQYCYPFELO-LBPRGKRZSA-N	-2	1	349.811	2.791	10	0		EFAEML
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1	ZINC000547881712	318050913	/nfs/dbraw/zinc/05/09/13/318050913.db2.gz	NQSPNUUUUXIRII-MGCOHNPYSA-N	-2	1	349.811	2.648	10	0		EFAEML
COc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])c1	ZINC000548559980	318119431	/nfs/dbraw/zinc/11/94/31/318119431.db2.gz	YBEQIPKAGHVVFN-UHFFFAOYSA-N	-2	1	339.344	2.642	10	0		EFAEML
CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000548589871	318121440	/nfs/dbraw/zinc/12/14/40/318121440.db2.gz	ADCRTMDFAQUNLP-JTQLQIEISA-N	-2	1	337.800	2.647	10	0		EFAEML
CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000579824591	324038906	/nfs/dbraw/zinc/03/89/06/324038906.db2.gz	NZWVAYIGPWRLDX-KCJUWKMLSA-N	-2	1	337.800	2.503	10	0		EFAEML
COc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3C(=O)[O-])c2)c1	ZINC000003284971	471440768	/nfs/dbraw/zinc/44/07/68/471440768.db2.gz	VOFBELCTKGZXIZ-UHFFFAOYSA-N	-2	1	338.319	2.516	10	0		EFAEML
Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)s1	ZINC000037406548	472011911	/nfs/dbraw/zinc/01/19/11/472011911.db2.gz	UZCCPLUJEICMJD-UHFFFAOYSA-N	-2	1	325.411	2.793	10	0		EFAEML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000077760954	472603966	/nfs/dbraw/zinc/60/39/66/472603966.db2.gz	ZZQZOUVWQCMYJX-UHFFFAOYSA-N	-2	1	346.339	2.873	10	0		EFAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1	ZINC000047496142	472720814	/nfs/dbraw/zinc/72/08/14/472720814.db2.gz	MKJXBHPXLQEWFP-UHFFFAOYSA-N	-2	1	328.349	2.734	10	0		EFAEML
O=c1cc(C2CC2)nc(SCc2nc(=O)c3sccc3[n-]2)[n-]1	ZINC000188143447	473998881	/nfs/dbraw/zinc/99/88/81/473998881.db2.gz	IUAAWNMMHVDJJZ-UHFFFAOYSA-N	-2	1	332.410	2.650	10	0		EFAEML
Cc1cc(C(=O)NC[C@H](C)C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000620371648	480079847	/nfs/dbraw/zinc/07/98/47/480079847.db2.gz	PRHTUIUSBPLXMJ-NSHDSACASA-N	-2	1	344.415	2.691	10	0		EFAEML
C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC(=O)[O-]	ZINC000231726813	474264087	/nfs/dbraw/zinc/26/40/87/474264087.db2.gz	FEZLBYSGJTXGFK-LURJTMIESA-N	-2	1	344.191	2.522	10	0		EFAEML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1F	ZINC000391876840	476818032	/nfs/dbraw/zinc/81/80/32/476818032.db2.gz	QRYCFQZBWAJOKH-UHFFFAOYSA-N	-2	1	346.339	2.873	10	0		EFAEML
O=C([O-])c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c1O	ZINC000562968447	478396860	/nfs/dbraw/zinc/39/68/60/478396860.db2.gz	XWFLWYXWAZCOPN-VIFPVBQESA-N	-2	1	349.355	2.658	10	0		EFAEML
Cc1[n-][nH]c(=NC(=O)c2ccc(C(C)C)cc2[O-])c1Br	ZINC000616009368	479807063	/nfs/dbraw/zinc/80/70/63/479807063.db2.gz	TXKQJEGJMFDKEF-UHFFFAOYSA-N	-2	1	338.205	2.984	10	0		EFAEML
CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc(C(=O)[O-])cn2)c1=O	ZINC000634609574	480375170	/nfs/dbraw/zinc/37/51/70/480375170.db2.gz	HFDQEUIGYLJDEE-KRWDZBQOSA-N	-2	1	337.379	2.997	10	0		EFAEML
CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-]	ZINC000650413174	481081638	/nfs/dbraw/zinc/08/16/38/481081638.db2.gz	RHTIAKFKSWSTFP-UHFFFAOYSA-N	-2	1	337.800	2.648	10	0		EFAEML
Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)oc1C(=O)[O-]	ZINC000663436413	482235503	/nfs/dbraw/zinc/23/55/03/482235503.db2.gz	GVJCYGSROXTPMZ-UHFFFAOYSA-N	-2	1	343.323	2.543	10	0		EFAEML
CO[C@@H](CS(=O)(=O)[N-]c1c([O-])cccc1F)C1CCCCC1	ZINC000656624522	546866452	/nfs/dbraw/zinc/86/64/52/546866452.db2.gz	OPNODFCHMJJARK-AWEZNQCLSA-N	-2	1	331.409	2.868	10	0		EFAEML
COc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c1	ZINC000684536142	550055423	/nfs/dbraw/zinc/05/54/23/550055423.db2.gz	MVDLSKWOCAQCSX-UHFFFAOYSA-N	-2	1	335.381	2.811	10	0		EFAEML
COc1cc(C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])cc(Cl)c1[O-]	ZINC000923191035	1277189514	/nfs/dbraw/zinc/18/95/14/1277189514.db2.gz	LETQVOUGZFWWLZ-MRXNPFEDSA-N	-2	1	343.807	2.921	10	0		EFAEML
CCC(F)(F)C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000871995480	1287389303	/nfs/dbraw/zinc/38/93/03/1287389303.db2.gz	YYHYWMMIPQNHBZ-UHFFFAOYSA-N	-2	1	345.726	2.501	10	0		EFAEML
CCOc1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc(Cl)c1[O-]	ZINC000852959343	1299946869	/nfs/dbraw/zinc/94/68/69/1299946869.db2.gz	IOBRVYOCKVCPNI-LLVKDONJSA-N	-2	1	341.791	2.675	10	0		EFAEML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1	ZINC000128939030	1423487797	/nfs/dbraw/zinc/48/77/97/1423487797.db2.gz	FTTMBFVPROUGOD-UHFFFAOYSA-N	-2	1	349.803	2.629	10	0		EFAEML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1	ZINC000128939030	1423487799	/nfs/dbraw/zinc/48/77/99/1423487799.db2.gz	FTTMBFVPROUGOD-UHFFFAOYSA-N	-2	1	349.803	2.629	10	0		EFAEML
CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1	ZINC000909698891	727363934	/nfs/dbraw/zinc/36/39/34/727363934.db2.gz	NRKSONHBAMFETI-GOSISDBHSA-N	-2	1	346.358	2.652	10	0		EFAEML
O=C(Nc1ccc([O-])c(F)c1F)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC001636507022	1100722549	/nfs/dbraw/zinc/72/25/49/1100722549.db2.gz	NNLYFWVZVAYQJE-UHFFFAOYSA-N	-2	1	349.268	2.953	10	0		EFAEML
CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000036340019	213086621	/nfs/dbraw/zinc/08/66/21/213086621.db2.gz	NWTXCZOWTSVDLV-SNVBAGLBSA-N	-2	1	346.257	2.977	10	0		EFAEML
COc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1	ZINC000541000591	317765179	/nfs/dbraw/zinc/76/51/79/317765179.db2.gz	LCARJKYTHKHOON-UHFFFAOYSA-N	-2	1	349.408	2.903	10	0		EFAEML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(N)c1	ZINC000548201932	318084225	/nfs/dbraw/zinc/08/42/25/318084225.db2.gz	ZTEZRCVHCBBDGQ-UHFFFAOYSA-N	-2	1	340.788	2.730	10	0		EFAEML
O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000548220481	318084958	/nfs/dbraw/zinc/08/49/58/318084958.db2.gz	DHZFAFALPZUMCK-CYBMUJFWSA-N	-2	1	337.397	2.745	10	0		EFAEML
CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000548589872	318121426	/nfs/dbraw/zinc/12/14/26/318121426.db2.gz	ADCRTMDFAQUNLP-SNVBAGLBSA-N	-2	1	337.800	2.647	10	0		EFAEML
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000579959018	324067592	/nfs/dbraw/zinc/06/75/92/324067592.db2.gz	YBVWAAVXCAASJE-NSHDSACASA-N	-2	1	337.800	2.647	10	0		EFAEML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1F	ZINC000032586454	472445034	/nfs/dbraw/zinc/44/50/34/472445034.db2.gz	UQHJBVHGLMVLTG-UHFFFAOYSA-N	-2	1	339.344	2.642	10	0		EFAEML
CC(=C([O-])c1ccccc1)S(=O)(=O)C(C)=C([O-])c1ccccc1	ZINC000167205497	473534589	/nfs/dbraw/zinc/53/45/89/473534589.db2.gz	QQGQYGBAPPHFHK-ZIAGYGMSSA-N	-2	1	330.405	2.944	10	0		EFAEML
N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])s1	ZINC000230327187	474259972	/nfs/dbraw/zinc/25/99/72/474259972.db2.gz	GURGEMWPQNHWGD-UHFFFAOYSA-N	-2	1	342.785	2.772	10	0		EFAEML
COCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000339203344	475036298	/nfs/dbraw/zinc/03/62/98/475036298.db2.gz	IYJRATVRFQNBIF-UHFFFAOYSA-N	-2	1	327.789	2.993	10	0		EFAEML
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C(=O)[O-])cc1C	ZINC000358491200	475720722	/nfs/dbraw/zinc/72/07/22/475720722.db2.gz	CBUXVFDIFWIDOQ-UHFFFAOYSA-N	-2	1	349.364	2.531	10	0		EFAEML
COCc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c1	ZINC000358492018	475720764	/nfs/dbraw/zinc/72/07/64/475720764.db2.gz	FQUIMJSTWUJLIQ-UHFFFAOYSA-N	-2	1	349.408	2.949	10	0		EFAEML
COc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(=O)[O-]	ZINC000432643704	477244704	/nfs/dbraw/zinc/24/47/04/477244704.db2.gz	PICBVXYBMYPDTF-UHFFFAOYSA-N	-2	1	346.364	2.676	10	0		EFAEML
O=C(Nc1ccc(F)cc1[O-])c1nn(-c2ccccc2F)cc1[O-]	ZINC000436814110	477599220	/nfs/dbraw/zinc/59/92/20/477599220.db2.gz	RGVYPVJCOUAPKH-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
Cc1nc(-c2ccc(NC3(CC(=O)[O-])CCC3)nc2)[n-]c(=O)c1C	ZINC000650776955	481334400	/nfs/dbraw/zinc/33/44/00/481334400.db2.gz	NYXSRUSHOCHHGY-UHFFFAOYSA-N	-2	1	328.372	2.670	10	0		EFAEML
Cc1ccc2c(n1)[n-]cc(C(=O)Nc1nc(Cl)ccc1[O-])c2=O	ZINC000790064373	1277229709	/nfs/dbraw/zinc/22/97/09/1277229709.db2.gz	XQIFBLCAAUJYGT-UHFFFAOYSA-N	-2	1	330.731	2.650	10	0		EFAEML
CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000776613972	1299784677	/nfs/dbraw/zinc/78/46/77/1299784677.db2.gz	CROPDDFOGBYQHN-KWQFWETISA-N	-2	1	337.800	2.647	10	0		EFAEML
Cc1nc(SCC(=O)[N-]OCc2ccccc2)[n-]c(=O)c1C1CC1	ZINC000865373176	1303231881	/nfs/dbraw/zinc/23/18/81/1303231881.db2.gz	JBLBVCAIUYVJMT-UHFFFAOYSA-N	-2	1	345.424	2.708	10	0		EFAEML
O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001456607734	1394729171	/nfs/dbraw/zinc/72/91/71/1394729171.db2.gz	QQCMQKRLBIQGSW-UHFFFAOYSA-N	-2	1	349.705	2.780	10	0		EFAEML
O=C(Nc1ccc([O-])c(F)c1F)c1ncc(Br)cc1[O-]	ZINC001468003332	1396918046	/nfs/dbraw/zinc/91/80/46/1396918046.db2.gz	HYGJTIIZUSWTPK-UHFFFAOYSA-N	-2	1	345.099	2.786	10	0		EFAEML
Cc1ccc(-c2nc([N-]C(=O)c3ocnc3C(F)(F)F)n[n-]2)o1	ZINC001558948016	1415213073	/nfs/dbraw/zinc/21/30/73/1415213073.db2.gz	MTEYXZXYHNUSFQ-UHFFFAOYSA-N	-2	1	327.222	2.632	10	0		EFAEML
COc1cccc(C=C2SC(=S)[N-]C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000096850972	714662792	/nfs/dbraw/zinc/66/27/92/714662792.db2.gz	VWVXQRUYGJIVDR-LWYMYGMPSA-N	-2	1	339.394	2.876	10	0		EFAEML
CC(C)C[C@](C)(C[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000926578257	716898235	/nfs/dbraw/zinc/89/82/35/716898235.db2.gz	WPGLYMCVWRYLGG-GFCCVEGCSA-N	-2	1	339.866	2.817	10	0		EFAEML
COc1cc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc(Cl)c1[O-]	ZINC000909692872	727367476	/nfs/dbraw/zinc/36/74/76/727367476.db2.gz	FYRBEJMAECBERS-HNNXBMFYSA-N	-2	1	329.780	2.673	10	0		EFAEML
COc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc(Cl)c1[O-]	ZINC000910568465	727450801	/nfs/dbraw/zinc/45/08/01/727450801.db2.gz	TXYXMCGCYXWESQ-GFCCVEGCSA-N	-2	1	341.791	2.818	10	0		EFAEML
CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@]1(F)C(=O)[O-]	ZINC000910554812	727452362	/nfs/dbraw/zinc/45/23/62/727452362.db2.gz	XVYYKKOZEGHOQN-CLAHSXSESA-N	-2	1	349.280	2.686	10	0		EFAEML
O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC001639098590	1100913871	/nfs/dbraw/zinc/91/38/71/1100913871.db2.gz	BQLNUCNHROYSOJ-UHFFFAOYSA-N	-2	1	349.705	2.780	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)C)c(C)c1	ZINC000032971225	202244653	/nfs/dbraw/zinc/24/46/53/202244653.db2.gz	CENVYWWUCVYHJG-UHFFFAOYSA-N	-2	1	348.424	2.868	10	0		EFAEML
COc1ccc(C=C2SC(=S)[N-]C2=O)c(C(=O)[O-])c1OC	ZINC000034856047	202279201	/nfs/dbraw/zinc/27/92/01/202279201.db2.gz	ABFKQQHYYWGLCF-YVMONPNESA-N	-2	1	325.367	2.731	10	0		EFAEML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1	ZINC000193484374	240112336	/nfs/dbraw/zinc/11/23/36/240112336.db2.gz	YHMPZQPFXQEDFO-UHFFFAOYSA-N	-2	1	330.365	2.975	10	0		EFAEML
CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F	ZINC000443463672	250197731	/nfs/dbraw/zinc/19/77/31/250197731.db2.gz	UODCXINNOZGEDW-UHFFFAOYSA-N	-2	1	339.344	2.593	10	0		EFAEML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000321100378	311238179	/nfs/dbraw/zinc/23/81/79/311238179.db2.gz	MEHXHORCOPPDTI-UHFFFAOYSA-N	-2	1	345.298	2.911	10	0		EFAEML
CCC(CC)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC	ZINC000547609261	318021213	/nfs/dbraw/zinc/02/12/13/318021213.db2.gz	QWRTUPFWJOHCHS-UHFFFAOYSA-N	-2	1	345.417	2.580	10	0		EFAEML
CCc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1	ZINC000548526330	318117812	/nfs/dbraw/zinc/11/78/12/318117812.db2.gz	GHYJHGYGVBYYBR-UHFFFAOYSA-N	-2	1	349.408	2.898	10	0		EFAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000096697668	472394057	/nfs/dbraw/zinc/39/40/57/472394057.db2.gz	UVJPAPJILGJMEO-UHFFFAOYSA-N	-2	1	335.381	2.644	10	0		EFAEML
CC[C@@H](C)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000271036339	474380017	/nfs/dbraw/zinc/38/00/17/474380017.db2.gz	JHUFOSATRZCABR-LLVKDONJSA-N	-2	1	329.418	2.500	10	0		EFAEML
COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc(OC)c1	ZINC000339205076	475038776	/nfs/dbraw/zinc/03/87/76/475038776.db2.gz	QCLKKEYPQSYYRG-UHFFFAOYSA-N	-2	1	343.788	2.864	10	0		EFAEML
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CC1CCCC1	ZINC000273828071	475068873	/nfs/dbraw/zinc/06/88/73/475068873.db2.gz	DKBBSKVYKAQKPZ-UHFFFAOYSA-N	-2	1	341.429	2.644	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000871770984	1287280903	/nfs/dbraw/zinc/28/09/03/1287280903.db2.gz	PGXBJNYBVHZINJ-VDDIYKPWSA-N	-2	1	349.811	2.647	10	0		EFAEML
CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F	ZINC000871997009	1287389282	/nfs/dbraw/zinc/38/92/82/1287389282.db2.gz	OIXJGJWQLFFDSB-UHFFFAOYSA-N	-2	1	343.323	2.625	10	0		EFAEML
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000776613971	1299783316	/nfs/dbraw/zinc/78/33/16/1299783316.db2.gz	CROPDDFOGBYQHN-KCJUWKMLSA-N	-2	1	337.800	2.647	10	0		EFAEML
CCOC(=O)c1nc(NC(=O)c2cccc(Cl)c2[O-])[n-]c1Cl	ZINC001361642156	1336239464	/nfs/dbraw/zinc/23/94/64/1336239464.db2.gz	OEOCMLVTQVUBGA-UHFFFAOYSA-N	-2	1	344.154	2.851	10	0		EFAEML
O=C(Nc1ccc([O-])c(F)c1F)c1nn(-c2ccccc2)cc1[O-]	ZINC001468004000	1396918080	/nfs/dbraw/zinc/91/80/80/1396918080.db2.gz	VNOZDQNNTACZIZ-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
COc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc(Cl)c1[O-]	ZINC000909530861	723096444	/nfs/dbraw/zinc/09/64/44/723096444.db2.gz	DZTYKPNRBVNCQM-HWPZZCPQSA-N	-2	1	341.791	2.818	10	0		EFAEML
COc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)cc(Cl)c1[O-]	ZINC000910065002	727409404	/nfs/dbraw/zinc/40/94/04/727409404.db2.gz	UBWUAPBDHPWGMS-UHFFFAOYSA-N	-2	1	327.764	2.524	10	0		EFAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2Cl)c(Cl)c1	ZINC000071392860	728144011	/nfs/dbraw/zinc/14/40/11/728144011.db2.gz	IOLHDPZKYWFJKM-UHFFFAOYSA-N	-2	1	347.179	2.887	10	0		EFAEML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2Cl)c1	ZINC000037406147	1099572846	/nfs/dbraw/zinc/57/28/46/1099572846.db2.gz	XOSFHVYYLWANSF-UHFFFAOYSA-N	-2	1	347.179	2.887	10	0		EFAEML
CC1N=NC(C(=O)Nc2c([O-])cc(Br)cc2Cl)=C1[O-]	ZINC001627034061	1099950699	/nfs/dbraw/zinc/95/06/99/1099950699.db2.gz	APFJPNSTQVOMTF-UHFFFAOYSA-N	-2	1	346.568	2.798	10	0		EFAEML
Cc1cc(C(=O)NC[C@H]2CCC=CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001653506683	1101627119	/nfs/dbraw/zinc/62/71/19/1101627119.db2.gz	MDOAXZKPRXBKIC-LBPRGKRZSA-N	-2	1	342.399	2.611	10	0		EFAEML
O=C([O-])c1cc([N-]S(=O)(=O)CC2(F)CC2)cc(C(F)(F)F)c1	ZINC000905991749	1103798470	/nfs/dbraw/zinc/79/84/70/1103798470.db2.gz	SQEWFCWYHOTFIH-UHFFFAOYSA-N	-2	1	341.282	2.647	10	0		EFAEML
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])n[n-]c1=S	ZINC000066636086	215060510	/nfs/dbraw/zinc/06/05/10/215060510.db2.gz	LFMWVDFJIZRROU-UHFFFAOYSA-N	-2	1	347.227	2.903	10	0		EFAEML
O=C(Nc1ccc(F)cc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000436936729	304001960	/nfs/dbraw/zinc/00/19/60/304001960.db2.gz	VERHCMFQTPRKMV-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1	ZINC000078870084	217135050	/nfs/dbraw/zinc/13/50/50/217135050.db2.gz	WCIOLZINCJDFJN-UHFFFAOYSA-N	-2	1	342.376	2.663	10	0		EFAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC12CCC(CC1)C2	ZINC000359565371	148124254	/nfs/dbraw/zinc/12/42/54/148124254.db2.gz	WOBXQWCHPJSOQZ-UHFFFAOYSA-N	-2	1	339.413	2.715	10	0		EFAEML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1C	ZINC000532990088	317460554	/nfs/dbraw/zinc/46/05/54/317460554.db2.gz	UTWSYRRGBWCMLE-UHFFFAOYSA-N	-2	1	339.344	2.647	10	0		EFAEML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccccc2F)c1F	ZINC000547610177	318021535	/nfs/dbraw/zinc/02/15/35/318021535.db2.gz	DAYIOUHCPWFFJH-UHFFFAOYSA-N	-2	1	345.298	2.744	10	0		EFAEML
C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547885801	318051264	/nfs/dbraw/zinc/05/12/64/318051264.db2.gz	WQBNRDAPHNHZKJ-FZMZJTMJSA-N	-2	1	349.811	2.791	10	0		EFAEML
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](C)CC	ZINC000547934372	318053558	/nfs/dbraw/zinc/05/35/58/318053558.db2.gz	BCONYMIMMBVALZ-NSHDSACASA-N	-2	1	329.418	2.961	10	0		EFAEML
C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000548619861	318124703	/nfs/dbraw/zinc/12/47/03/318124703.db2.gz	ZINNMDIYIBLNGR-MRVPVSSYSA-N	-2	1	337.800	2.647	10	0		EFAEML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N(C)C)c1	ZINC000549904742	318184390	/nfs/dbraw/zinc/18/43/90/318184390.db2.gz	OEMOMUYIASCFMR-UHFFFAOYSA-N	-2	1	348.424	2.868	10	0		EFAEML
CC(C)(C)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000576597616	320031712	/nfs/dbraw/zinc/03/17/12/320031712.db2.gz	DVHAAPMDDMSUPD-QMMMGPOBSA-N	-2	1	325.839	2.569	10	0		EFAEML
CC1(c2nc(=NC(=O)c3ccc(C(F)(F)F)c([O-])c3)s[n-]2)CC1	ZINC000628540238	479932305	/nfs/dbraw/zinc/93/23/05/479932305.db2.gz	QHOXVXGJUJHYNZ-UHFFFAOYSA-N	-2	1	343.330	2.988	10	0		EFAEML
COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(C(=O)[O-])cc3)c2)c1	ZINC000012765821	471794085	/nfs/dbraw/zinc/79/40/85/471794085.db2.gz	RGCFFRLPSHQZRV-UHFFFAOYSA-N	-2	1	338.319	2.516	10	0		EFAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000013313194	471824660	/nfs/dbraw/zinc/82/46/60/471824660.db2.gz	GLQSHBRPSLVZEU-UHFFFAOYSA-N	-2	1	329.736	2.978	10	0		EFAEML
Cc1cc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000346877859	475932703	/nfs/dbraw/zinc/93/27/03/475932703.db2.gz	SAZCBISRGSTDET-PWSUYJOCSA-N	-2	1	344.415	2.691	10	0		EFAEML
Cc1cc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000346877860	475933340	/nfs/dbraw/zinc/93/33/40/475933340.db2.gz	SAZCBISRGSTDET-ZYHUDNBSSA-N	-2	1	344.415	2.691	10	0		EFAEML
Cc1cc(C(=O)NCC2(C)CCC(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000357375387	476349648	/nfs/dbraw/zinc/34/96/48/476349648.db2.gz	LMIGGBAPYVYGQD-UHFFFAOYSA-N	-2	1	344.415	2.691	10	0		EFAEML
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000514604462	479031767	/nfs/dbraw/zinc/03/17/67/479031767.db2.gz	ZMDIWCWXUPEFRP-CYBMUJFWSA-N	-2	1	325.386	2.601	10	0		EFAEML
Cc1cc(C=O)c([O-])c(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1	ZINC001556753369	1415086327	/nfs/dbraw/zinc/08/63/27/1415086327.db2.gz	AIASXPWUIYADKD-UHFFFAOYSA-N	-2	1	337.335	2.861	10	0		EFAEML
CSc1ncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(=O)[n-]1	ZINC001567895562	1416311938	/nfs/dbraw/zinc/31/19/38/1416311938.db2.gz	XYCBCWUNQHATFU-UHFFFAOYSA-N	-2	1	329.740	2.655	10	0		EFAEML
CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1	ZINC000909698892	727363906	/nfs/dbraw/zinc/36/39/06/727363906.db2.gz	NRKSONHBAMFETI-SFHVURJKSA-N	-2	1	346.358	2.652	10	0		EFAEML
CC[C@H](C)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-]	ZINC000909863576	727392896	/nfs/dbraw/zinc/39/28/96/727392896.db2.gz	WLPOJPBVDRPIDE-GZMMTYOYSA-N	-2	1	329.780	2.673	10	0		EFAEML
COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(F)c3[O-])n2)cc1	ZINC001635725217	1100676432	/nfs/dbraw/zinc/67/64/32/1100676432.db2.gz	KDSKKLVWZQTBJF-UHFFFAOYSA-N	-2	1	343.314	2.684	10	0		EFAEML
Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(F)c3[O-])cc2=O)cc1	ZINC001642769053	1101240013	/nfs/dbraw/zinc/24/00/13/1101240013.db2.gz	IJHDNMBFQLMARR-UHFFFAOYSA-N	-2	1	327.315	2.571	10	0		EFAEML
O=C([O-])CNC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1[O-]	ZINC000036423043	213098786	/nfs/dbraw/zinc/09/87/86/213098786.db2.gz	WGTQMDIOPUYGIF-UHFFFAOYSA-N	-2	1	338.319	2.547	10	0		EFAEML
Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc2o1	ZINC000007725866	210838508	/nfs/dbraw/zinc/83/85/08/210838508.db2.gz	DKBVMOZYYFGLNL-UHFFFAOYSA-N	-2	1	346.364	2.944	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(C)c1C(=O)[O-]	ZINC000348891437	146021218	/nfs/dbraw/zinc/02/12/18/146021218.db2.gz	XYVCMCSYFKYHRN-UHFFFAOYSA-N	-2	1	339.344	2.647	10	0		EFAEML
Cc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000457075477	301079189	/nfs/dbraw/zinc/07/91/89/301079189.db2.gz	OSDLTRLDZGPNCC-UHFFFAOYSA-N	-2	1	344.415	2.784	10	0		EFAEML
O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1sccc1Cl	ZINC000521202760	316005154	/nfs/dbraw/zinc/00/51/54/316005154.db2.gz	BQPMVKUWZDLLMB-SNVBAGLBSA-N	-2	1	337.850	2.713	10	0		EFAEML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cncc(Cl)c2)c1F	ZINC000547933758	318053460	/nfs/dbraw/zinc/05/34/60/318053460.db2.gz	NWFAHGBXORNWCS-UHFFFAOYSA-N	-2	1	348.714	2.512	10	0		EFAEML
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000547933874	318053464	/nfs/dbraw/zinc/05/34/64/318053464.db2.gz	YZLRDRNHKCZOHX-UHFFFAOYSA-N	-2	1	349.408	2.654	10	0		EFAEML
CCC(CC)CS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC	ZINC000548595494	318121742	/nfs/dbraw/zinc/12/17/42/318121742.db2.gz	SWOROGXBENKPKC-UHFFFAOYSA-N	-2	1	333.381	2.710	10	0		EFAEML
COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])cc1	ZINC000548593246	318121850	/nfs/dbraw/zinc/12/18/50/318121850.db2.gz	NWQMKMAAKRIBMZ-UHFFFAOYSA-N	-2	1	339.344	2.642	10	0		EFAEML
C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000548619862	318124707	/nfs/dbraw/zinc/12/47/07/318124707.db2.gz	ZINNMDIYIBLNGR-QMMMGPOBSA-N	-2	1	337.800	2.647	10	0		EFAEML
CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cn1	ZINC000570876418	319520615	/nfs/dbraw/zinc/52/06/15/319520615.db2.gz	FFRYXUSCLPBMJX-UHFFFAOYSA-N	-2	1	343.792	2.616	10	0		EFAEML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1	ZINC000006328199	471540809	/nfs/dbraw/zinc/54/08/09/471540809.db2.gz	HVMKGICFAWRWJD-UHFFFAOYSA-N	-2	1	333.365	2.697	10	0		EFAEML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(C)s1	ZINC000036983418	472008222	/nfs/dbraw/zinc/00/82/22/472008222.db2.gz	RCGVIDXQKABABQ-UHFFFAOYSA-N	-2	1	327.383	2.570	10	0		EFAEML
Cc1cc(C(=O)NC[C@@H](C)C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000620371638	480079380	/nfs/dbraw/zinc/07/93/80/480079380.db2.gz	PRHTUIUSBPLXMJ-LLVKDONJSA-N	-2	1	344.415	2.691	10	0		EFAEML
CCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000390317255	476791641	/nfs/dbraw/zinc/79/16/41/476791641.db2.gz	PJPDCFLJQPWDLB-UHFFFAOYSA-N	-2	1	335.381	2.725	10	0		EFAEML
COc1cccc(C(=O)N=c2cc(-c3ccccc3F)o[nH]2)c1O	ZINC000448491816	477179494	/nfs/dbraw/zinc/17/94/94/477179494.db2.gz	WZSDIKSRTQWDIS-UHFFFAOYSA-N	-2	1	328.299	2.869	10	0		EFAEML
CC(C)(CCC[N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-]	ZINC000582531201	478621602	/nfs/dbraw/zinc/62/16/02/478621602.db2.gz	ZVEXEPFNGHINQX-UHFFFAOYSA-N	-2	1	325.839	2.571	10	0		EFAEML
O=C([O-])Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000584593990	479190741	/nfs/dbraw/zinc/19/07/41/479190741.db2.gz	NJQIBCBARZQEML-UHFFFAOYSA-N	-2	1	325.773	2.768	10	0		EFAEML
CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c([O-])cccc1F	ZINC000643269342	481378954	/nfs/dbraw/zinc/37/89/54/481378954.db2.gz	WWQUKFHYWFGWOC-ZDUSSCGKSA-N	-2	1	339.388	2.531	10	0		EFAEML
Cc1cccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1C(=O)[O-]	ZINC000670324825	547470431	/nfs/dbraw/zinc/47/04/31/547470431.db2.gz	VCXFYLYTMTXPEB-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
O=C([O-])c1ccccc1-n1[n-]c2c(c1=O)CCN(Cc1ccccc1)C2	ZINC000871947538	1287374049	/nfs/dbraw/zinc/37/40/49/1287374049.db2.gz	DHGAUKGVLHJZFN-OAHLLOKOSA-N	-2	1	349.390	2.610	10	0		EFAEML
CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(O)c(F)cc2F)[n-]n1	ZINC001417889598	1373377274	/nfs/dbraw/zinc/37/72/74/1373377274.db2.gz	WQONHBQADIDMBP-UHFFFAOYSA-N	-2	1	339.298	2.601	10	0		EFAEML
O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc2n[n-]c(=S)n2c1	ZINC001467352112	1396845408	/nfs/dbraw/zinc/84/54/08/1396845408.db2.gz	VQKAWUJQDNVQCD-UHFFFAOYSA-N	-2	1	338.751	2.768	10	0		EFAEML
COc1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc(Cl)c1[O-]	ZINC000909530884	723096748	/nfs/dbraw/zinc/09/67/48/723096748.db2.gz	DZTYKPNRBVNCQM-QFYYESIMSA-N	-2	1	341.791	2.818	10	0		EFAEML
COc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CCCC(C)(F)F	ZINC000906002620	1103807974	/nfs/dbraw/zinc/80/79/74/1103807974.db2.gz	ZIFVJUTVQOESKJ-UHFFFAOYSA-N	-2	1	337.344	2.571	10	0		EFAEML
CCn1cc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2n1	ZINC000075572974	216637513	/nfs/dbraw/zinc/63/75/13/216637513.db2.gz	BNVONNKNZCKWLE-UHFFFAOYSA-N	-2	1	345.380	2.555	10	0		EFAEML
Cc1nc(C=Cc2cc(F)c([O-])c(F)c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000443450863	250195660	/nfs/dbraw/zinc/19/56/60/250195660.db2.gz	BEGZMTSFSKUFAP-RQOWECAXSA-N	-2	1	336.294	2.662	10	0		EFAEML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1)C(=O)[O-]	ZINC000547615686	318021580	/nfs/dbraw/zinc/02/15/80/318021580.db2.gz	XKIWRJYUKCPBPQ-ZDUSSCGKSA-N	-2	1	348.424	2.723	10	0		EFAEML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2F)c1F	ZINC000547893920	318051841	/nfs/dbraw/zinc/05/18/41/318051841.db2.gz	AORKMFDIAJJRKB-UHFFFAOYSA-N	-2	1	349.261	2.742	10	0		EFAEML
CCC[C@H](C)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000548591475	318121225	/nfs/dbraw/zinc/12/12/25/318121225.db2.gz	ALFYBUSGMHDPBT-LBPRGKRZSA-N	-2	1	343.445	2.890	10	0		EFAEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F	ZINC000548594300	318121784	/nfs/dbraw/zinc/12/17/84/318121784.db2.gz	JBAWKSHGPQKREK-UHFFFAOYSA-N	-2	1	345.298	2.911	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H](C)C(=O)[O-]	ZINC000568002107	319235562	/nfs/dbraw/zinc/23/55/62/319235562.db2.gz	RHFRADJBTCIBES-PHDIDXHHSA-N	-2	1	344.191	2.520	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(F)c1	ZINC000577151536	320081155	/nfs/dbraw/zinc/08/11/55/320081155.db2.gz	FNZUQZQQVIXUNR-UHFFFAOYSA-N	-2	1	345.298	2.911	10	0		EFAEML
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000013340908	471826378	/nfs/dbraw/zinc/82/63/78/471826378.db2.gz	FMMLWYOMNSUVHX-UHFFFAOYSA-N	-2	1	329.736	2.978	10	0		EFAEML
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000054795639	472116858	/nfs/dbraw/zinc/11/68/58/472116858.db2.gz	BFEYQFHPFTULDV-UHFFFAOYSA-N	-3	1	349.364	2.501	10	0		EFAEML
C[Si](C)(C)c1ccnc(-c2nccc([Si](C)(C)C)c2[O-])c1[O-]	ZINC000238808775	474541307	/nfs/dbraw/zinc/54/13/07/474541307.db2.gz	AWDYXFLTMLGQNC-UHFFFAOYSA-N	-2	1	332.552	2.645	10	0		EFAEML
O=C([O-])Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000584593791	479189868	/nfs/dbraw/zinc/18/98/68/479189868.db2.gz	DEZVPTYHOLNUSB-UHFFFAOYSA-N	-2	1	325.773	2.768	10	0		EFAEML
Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1	ZINC000653286099	481203485	/nfs/dbraw/zinc/20/34/85/481203485.db2.gz	IWXFQELDAVZLLQ-BDAKNGLRSA-N	-2	1	342.189	2.903	10	0		EFAEML
Cc1ccc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c(C(=O)[O-])c1	ZINC000683896751	549960510	/nfs/dbraw/zinc/96/05/10/549960510.db2.gz	UAPSYFVELJODKQ-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1sccc1Cl	ZINC000871769507	1287278126	/nfs/dbraw/zinc/27/81/26/1287278126.db2.gz	KLGYQBFJSPYDEH-WEDXCCLWSA-N	-2	1	337.850	2.569	10	0		EFAEML
O=C([O-])C[C@H]([N-]S(=O)(=O)C(F)F)c1cc(Cl)cc(Cl)c1	ZINC000817419815	1288593819	/nfs/dbraw/zinc/59/38/19/1288593819.db2.gz	IADBRVKWVWIURS-QMMMGPOBSA-N	-2	1	348.154	2.651	10	0		EFAEML
Cc1cc(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001413269378	1309181419	/nfs/dbraw/zinc/18/14/19/1309181419.db2.gz	ZTFNBEWRTVFSIF-NXEZZACHSA-N	-2	1	344.415	2.547	10	0		EFAEML
O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001295292200	1322671197	/nfs/dbraw/zinc/67/11/97/1322671197.db2.gz	MEMORSKCNLIWCV-UHFFFAOYSA-N	-2	1	331.715	2.641	10	0		EFAEML
O=C(Nc1ccc(F)c(F)c1[O-])c1[n-]cnc1C(=O)c1ccccc1	ZINC001299047749	1323676197	/nfs/dbraw/zinc/67/61/97/1323676197.db2.gz	YUJKTBZWKSFXEL-UHFFFAOYSA-N	-2	1	343.289	2.877	10	0		EFAEML
O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000909680913	727360613	/nfs/dbraw/zinc/36/06/13/727360613.db2.gz	YUYBJIXOLVEFQS-PLMOITTCSA-N	-2	1	343.301	2.736	10	0		EFAEML
CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2[O-])[n-]n1	ZINC001642237029	1101200848	/nfs/dbraw/zinc/20/08/48/1101200848.db2.gz	FKKYZTZFKQZXCB-UHFFFAOYSA-N	-2	1	339.298	2.601	10	0		EFAEML
CCOCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000042791429	204146097	/nfs/dbraw/zinc/14/60/97/204146097.db2.gz	RJNFFLXTFRYYIY-UHFFFAOYSA-N	-2	1	335.381	2.722	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1N(C)C	ZINC000547585607	318020203	/nfs/dbraw/zinc/02/02/03/318020203.db2.gz	UQRGRCZQXKVJME-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000547885803	318051356	/nfs/dbraw/zinc/05/13/56/318051356.db2.gz	WQBNRDAPHNHZKJ-SMDDNHRTSA-N	-2	1	349.811	2.791	10	0		EFAEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2)cc1F	ZINC000547938160	318053817	/nfs/dbraw/zinc/05/38/17/318053817.db2.gz	XDTXEQPWSXFESB-UHFFFAOYSA-N	-2	1	327.308	2.772	10	0		EFAEML
Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1F	ZINC000548591017	318121312	/nfs/dbraw/zinc/12/13/12/318121312.db2.gz	AEMWEPZHSFPQLJ-UHFFFAOYSA-N	-2	1	345.298	2.911	10	0		EFAEML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N(C)C)c1	ZINC000569062609	319343609	/nfs/dbraw/zinc/34/36/09/319343609.db2.gz	XJSUMQQTSWSZKA-UHFFFAOYSA-N	-2	1	348.424	2.814	10	0		EFAEML
CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000579824592	324038727	/nfs/dbraw/zinc/03/87/27/324038727.db2.gz	NZWVAYIGPWRLDX-KWQFWETISA-N	-2	1	337.800	2.503	10	0		EFAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1C	ZINC000096697667	472394041	/nfs/dbraw/zinc/39/40/41/472394041.db2.gz	FTMOJEWHUUNBHF-UHFFFAOYSA-N	-2	1	335.381	2.644	10	0		EFAEML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000058364398	472556614	/nfs/dbraw/zinc/55/66/14/472556614.db2.gz	BJJYSTHQUBYUOZ-UHFFFAOYSA-N	-2	1	346.339	2.873	10	0		EFAEML
O=C(N=c1[nH]c2ccc(C(F)(F)F)cc2[nH]1)c1c([O-])cccc1[O-]	ZINC000092125802	472865839	/nfs/dbraw/zinc/86/58/39/472865839.db2.gz	PYORNNNISWHQJU-UHFFFAOYSA-N	-2	1	337.257	2.667	10	0		EFAEML
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CC1CCCCC1	ZINC000274942840	474023311	/nfs/dbraw/zinc/02/33/11/474023311.db2.gz	FKNQXEGJMDRCPR-UHFFFAOYSA-N	-2	1	345.392	2.855	10	0		EFAEML
O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1cnc2ccccc2c1[O-]	ZINC000448491148	477179537	/nfs/dbraw/zinc/17/95/37/477179537.db2.gz	GGBPVYUFXWIKHC-UHFFFAOYSA-N	-2	1	349.321	2.996	10	0		EFAEML
O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000560492886	478096538	/nfs/dbraw/zinc/09/65/38/478096538.db2.gz	HJXMMGFWMJXDGF-CABZTGNLSA-N	-2	1	349.811	2.791	10	0		EFAEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N(C)C)c1	ZINC000583219182	478795374	/nfs/dbraw/zinc/79/53/74/478795374.db2.gz	VKLHSPRZXBUFJH-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)ccc1Cl	ZINC000149062870	1251530063	/nfs/dbraw/zinc/53/00/63/1251530063.db2.gz	UXYHGMWMSWUBIY-UHFFFAOYSA-N	-2	1	347.179	2.887	10	0		EFAEML
Cc1ccc(-n2[n-]c(C(=O)Nc3cc(F)cc(F)c3[O-])cc2=O)cc1	ZINC001299581483	1316238875	/nfs/dbraw/zinc/23/88/75/1316238875.db2.gz	SBYDLPZNAHARJO-UHFFFAOYSA-N	-2	1	345.305	2.710	10	0		EFAEML
O=C(Nc1cccc(F)c1[O-])c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001454759640	1393150371	/nfs/dbraw/zinc/15/03/71/1393150371.db2.gz	WGOQYDCSCLIYJE-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2cc1[O-]	ZINC000135547697	1424511803	/nfs/dbraw/zinc/51/18/03/1424511803.db2.gz	KZPQOZRZDJURFA-UHFFFAOYSA-N	-2	1	345.362	2.902	10	0		EFAEML
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2cc1[O-]	ZINC000135547697	1424511806	/nfs/dbraw/zinc/51/18/06/1424511806.db2.gz	KZPQOZRZDJURFA-UHFFFAOYSA-N	-2	1	345.362	2.902	10	0		EFAEML
COc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc(Cl)c1[O-]	ZINC000909874703	727391195	/nfs/dbraw/zinc/39/11/95/727391195.db2.gz	JZJCFJIJUDOQFU-JTQLQIEISA-N	-2	1	343.807	2.921	10	0		EFAEML
Cc1cccc([C@@H](Nc2ccc3c(c2)NC(=O)CO3)P(=O)([O-])[O-])c1	ZINC000012523578	211397329	/nfs/dbraw/zinc/39/73/29/211397329.db2.gz	VQUNDZFMRNXVRL-INIZCTEOSA-N	-2	1	348.295	2.614	10	0		EFAEML
Cc1cc(C(=O)NCC[C@H]2CCC[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000346877857	145740833	/nfs/dbraw/zinc/74/08/33/145740833.db2.gz	SAZCBISRGSTDET-CMPLNLGQSA-N	-2	1	344.415	2.691	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C)c1OCC(=O)[O-]	ZINC000360230159	148305219	/nfs/dbraw/zinc/30/52/19/148305219.db2.gz	JFOIGODQVAFZDK-UHFFFAOYSA-N	-2	1	341.410	2.629	10	0		EFAEML
COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C	ZINC000547548417	318018480	/nfs/dbraw/zinc/01/84/80/318018480.db2.gz	IHFOUUYNBSCIEK-UHFFFAOYSA-N	-2	1	349.408	2.949	10	0		EFAEML
C[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)CC(=O)[O-]	ZINC000563791775	318816079	/nfs/dbraw/zinc/81/60/79/318816079.db2.gz	KDCGZDGYZGIOQZ-MRVPVSSYSA-N	-2	1	347.845	2.944	10	0		EFAEML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(N(C)C)c1	ZINC000573873628	319806917	/nfs/dbraw/zinc/80/69/17/319806917.db2.gz	MZLQCZMZBFPFED-UHFFFAOYSA-N	-2	1	334.397	2.560	10	0		EFAEML
C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC(=O)[O-]	ZINC000231726810	474264059	/nfs/dbraw/zinc/26/40/59/474264059.db2.gz	FEZLBYSGJTXGFK-ZCFIWIBFSA-N	-2	1	344.191	2.522	10	0		EFAEML
CC[C@H](C)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000271036341	474379863	/nfs/dbraw/zinc/37/98/63/474379863.db2.gz	JHUFOSATRZCABR-NSHDSACASA-N	-2	1	329.418	2.500	10	0		EFAEML
O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c(O)c1	ZINC000296789765	475477854	/nfs/dbraw/zinc/47/78/54/475477854.db2.gz	AQQHQASTZVWIHU-JTQLQIEISA-N	-3	1	349.355	2.658	10	0		EFAEML
Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])cc1C	ZINC000358490482	475719864	/nfs/dbraw/zinc/71/98/64/475719864.db2.gz	AVOPLLUGRATRQS-UHFFFAOYSA-N	-3	1	349.364	2.501	10	0		EFAEML
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C1(C(C)C)CC1	ZINC000629295002	480203227	/nfs/dbraw/zinc/20/32/27/480203227.db2.gz	KUDHCZKFALGHTP-UHFFFAOYSA-N	-2	1	345.392	2.853	10	0		EFAEML
C/C=C\C[C@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000629878802	480437353	/nfs/dbraw/zinc/43/73/53/480437353.db2.gz	PZAOVIGTPMWXFN-MVZIDQBPSA-N	-2	1	342.399	2.563	10	0		EFAEML
Cc1cc(C(=O)N2CCCC[C@H]2C2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000648703043	481677996	/nfs/dbraw/zinc/67/79/96/481677996.db2.gz	GZKXTWMZFCCUHD-ZDUSSCGKSA-N	-2	1	342.399	2.539	10	0		EFAEML
C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1sccc1Cl	ZINC000871769505	1287278900	/nfs/dbraw/zinc/27/89/00/1287278900.db2.gz	KLGYQBFJSPYDEH-MRTMQBJTSA-N	-2	1	337.850	2.569	10	0		EFAEML
COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc(Cl)c2[O-])[n-]1	ZINC001417580478	1373058834	/nfs/dbraw/zinc/05/88/34/1373058834.db2.gz	ZWXKTGDRVDVQMN-UHFFFAOYSA-N	-2	1	336.731	2.615	10	0		EFAEML
O=C([O-])/C=C\C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000312000864	719792521	/nfs/dbraw/zinc/79/25/21/719792521.db2.gz	PPDZVPFBTFPXPG-UPHRSURJSA-N	-2	1	344.603	2.566	10	0		EFAEML
COc1cc(C(=O)NCCCCCCC(=O)[O-])cc(Cl)c1[O-]	ZINC000909142803	727335390	/nfs/dbraw/zinc/33/53/90/727335390.db2.gz	QDRJNLYBQYLANI-UHFFFAOYSA-N	-2	1	329.780	2.819	10	0		EFAEML
O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000909680904	727360362	/nfs/dbraw/zinc/36/03/62/727360362.db2.gz	YUYBJIXOLVEFQS-DVYJOKAKSA-N	-2	1	343.301	2.736	10	0		EFAEML
O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000909680910	727360444	/nfs/dbraw/zinc/36/04/44/727360444.db2.gz	YUYBJIXOLVEFQS-JQEORGNBSA-N	-2	1	343.301	2.736	10	0		EFAEML
COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc(Cl)c1[O-]	ZINC000909853413	727385709	/nfs/dbraw/zinc/38/57/09/727385709.db2.gz	FTALAKPBHHEMFN-NSHDSACASA-N	-2	1	329.780	2.626	10	0		EFAEML
CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1c([O-])cnc2c(F)cccc21	ZINC000909856419	727386017	/nfs/dbraw/zinc/38/60/17/727386017.db2.gz	VKDBKWWJTIPJFP-LBPRGKRZSA-N	-2	1	334.347	2.651	10	0		EFAEML
CCOc1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc(Cl)c1[O-]	ZINC000910318633	727430512	/nfs/dbraw/zinc/43/05/12/727430512.db2.gz	KJJZVUMGKLNQMU-MRXNPFEDSA-N	-2	1	341.791	2.818	10	0		EFAEML
Cc1cc(C(=O)NC[C@@H]2CCC=CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001653506681	1101626298	/nfs/dbraw/zinc/62/62/98/1101626298.db2.gz	MDOAXZKPRXBKIC-GFCCVEGCSA-N	-2	1	342.399	2.611	10	0		EFAEML
Cc1nc(-c2ccc(Br)cc2Cl)[n-]c(=O)c1C(=O)[O-]	ZINC000037366953	213141708	/nfs/dbraw/zinc/14/17/08/213141708.db2.gz	VFJVWQZIEYZZRD-UHFFFAOYSA-N	-2	1	343.564	2.859	10	0		EFAEML
O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000021025273	212200560	/nfs/dbraw/zinc/20/05/60/212200560.db2.gz	JNQJAEZYLVLZKP-UHFFFAOYSA-N	-2	1	341.772	2.604	10	0		EFAEML
O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1sccc1Cl	ZINC000521202759	316005159	/nfs/dbraw/zinc/00/51/59/316005159.db2.gz	BQPMVKUWZDLLMB-JTQLQIEISA-N	-2	1	337.850	2.713	10	0		EFAEML
Cc1oc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C(=O)[O-]	ZINC000541000440	317765183	/nfs/dbraw/zinc/76/51/83/317765183.db2.gz	JKCDDZAILHYRCO-UHFFFAOYSA-N	-2	1	347.751	2.557	10	0		EFAEML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1)C(=O)[O-]	ZINC000547615684	318021633	/nfs/dbraw/zinc/02/16/33/318021633.db2.gz	XKIWRJYUKCPBPQ-CYBMUJFWSA-N	-2	1	348.424	2.723	10	0		EFAEML
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1	ZINC000548198983	318083821	/nfs/dbraw/zinc/08/38/21/318083821.db2.gz	HXQWVAGSYYHBFM-UHFFFAOYSA-N	-2	1	345.298	2.744	10	0		EFAEML
CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000548225703	318085320	/nfs/dbraw/zinc/08/53/20/318085320.db2.gz	HEECKQHHBXFZIA-JTQLQIEISA-N	-2	1	337.800	2.647	10	0		EFAEML
CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000548225704	318085454	/nfs/dbraw/zinc/08/54/54/318085454.db2.gz	HEECKQHHBXFZIA-SNVBAGLBSA-N	-2	1	337.800	2.647	10	0		EFAEML
CCCc1ccc([N-]S(=O)(=O)c2cccc(N)c2)c(C(=O)[O-])c1	ZINC000548577330	318120112	/nfs/dbraw/zinc/12/01/12/318120112.db2.gz	PLBPYRWWOFGWEM-UHFFFAOYSA-N	-2	1	334.397	2.720	10	0		EFAEML
CCC(CC)CS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000548588038	318120977	/nfs/dbraw/zinc/12/09/77/318120977.db2.gz	GLSIOALSSDRKTC-UHFFFAOYSA-N	-2	1	343.445	2.890	10	0		EFAEML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1	ZINC000296848734	323649556	/nfs/dbraw/zinc/64/95/56/323649556.db2.gz	XXSBFPGULAVBSJ-UHFFFAOYSA-N	-2	1	345.420	2.993	10	0		EFAEML
CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000579824593	324038620	/nfs/dbraw/zinc/03/86/20/324038620.db2.gz	NZWVAYIGPWRLDX-LDYMZIIASA-N	-2	1	337.800	2.503	10	0		EFAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000096697669	472394429	/nfs/dbraw/zinc/39/44/29/472394429.db2.gz	LENMZVPECCQCGR-UHFFFAOYSA-N	-2	1	335.381	2.644	10	0		EFAEML
O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000129472893	472547064	/nfs/dbraw/zinc/54/70/64/472547064.db2.gz	ANKVLCXEBKEEBJ-UHFFFAOYSA-N	-2	1	329.736	2.978	10	0		EFAEML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(Cl)c1	ZINC000065833590	473016312	/nfs/dbraw/zinc/01/63/12/473016312.db2.gz	BBUHTEDNWVIAMH-UHFFFAOYSA-N	-2	1	347.801	2.909	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H](C)C(=O)[O-]	ZINC000231727121	474264074	/nfs/dbraw/zinc/26/40/74/474264074.db2.gz	YMLDAUQKJVKSEA-NTSWFWBYSA-N	-2	1	344.191	2.520	10	0		EFAEML
O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c(O)c1	ZINC000296789769	475477480	/nfs/dbraw/zinc/47/74/80/475477480.db2.gz	AQQHQASTZVWIHU-SNVBAGLBSA-N	-3	1	349.355	2.658	10	0		EFAEML
COCc1ccccc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-]	ZINC000358505060	475732387	/nfs/dbraw/zinc/73/23/87/475732387.db2.gz	UHBKUECQVVGYGU-UHFFFAOYSA-N	-2	1	349.408	2.949	10	0		EFAEML
O=C(N=c1nc(-c2ccsc2)[n-]s1)c1c(F)ccc([O-])c1F	ZINC000377707749	476538523	/nfs/dbraw/zinc/53/85/23/476538523.db2.gz	VUPSCRXUKFYHDX-UHFFFAOYSA-N	-2	1	339.348	2.925	10	0		EFAEML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1C(=O)[O-]	ZINC000448074574	477125309	/nfs/dbraw/zinc/12/53/09/477125309.db2.gz	OFDFLFOYMVAWNI-UHFFFAOYSA-N	-3	1	339.344	2.647	10	0		EFAEML
Cc1cc(C)c([N-]S(=O)(=O)c2cccc(N(C)C)c2)c(C(=O)[O-])c1	ZINC000559290165	477973903	/nfs/dbraw/zinc/97/39/03/477973903.db2.gz	KHVRWQRVBYNCBF-UHFFFAOYSA-N	-2	1	348.424	2.868	10	0		EFAEML
O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c1O	ZINC000562968446	478396532	/nfs/dbraw/zinc/39/65/32/478396532.db2.gz	XWFLWYXWAZCOPN-SECBINFHSA-N	-2	1	349.355	2.658	10	0		EFAEML
C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)[C@@H](C)C(=O)[O-]	ZINC000573660103	479114194	/nfs/dbraw/zinc/11/41/94/479114194.db2.gz	PADYSIKYAHJRTI-HTQZYQBOSA-N	-2	1	347.845	2.942	10	0		EFAEML
CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c([O-])cccc1F	ZINC000643269341	481378103	/nfs/dbraw/zinc/37/81/03/481378103.db2.gz	WWQUKFHYWFGWOC-CYBMUJFWSA-N	-2	1	339.388	2.531	10	0		EFAEML
CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])[nH]n1	ZINC000649615165	482155493	/nfs/dbraw/zinc/15/54/93/482155493.db2.gz	GRXGTGDSOXNFEV-UHFFFAOYSA-N	-2	1	329.809	2.867	10	0		EFAEML
O=C([O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1C1(C(=O)[O-])CC1	ZINC000657203220	547064872	/nfs/dbraw/zinc/06/48/72/547064872.db2.gz	NFAXWZHIQWBWLF-UHFFFAOYSA-N	-2	1	340.257	2.910	10	0		EFAEML
O=C(Nc1nc(Br)ccc1[O-])c1c([O-])cc(F)cc1F	ZINC000771574814	581223976	/nfs/dbraw/zinc/22/39/76/581223976.db2.gz	GRRQWKNLYQXYLT-UHFFFAOYSA-N	-2	1	345.099	2.786	10	0		EFAEML
COc1cc(C(=O)NC[C@](C)(CC(C)C)C(=O)[O-])cc(Cl)c1[O-]	ZINC000923191034	1277189502	/nfs/dbraw/zinc/18/95/02/1277189502.db2.gz	LETQVOUGZFWWLZ-INIZCTEOSA-N	-2	1	343.807	2.921	10	0		EFAEML
O=C([O-])C[C@@H]([N-]S(=O)(=O)C(F)F)c1cc(Cl)cc(Cl)c1	ZINC000817419813	1288593733	/nfs/dbraw/zinc/59/37/33/1288593733.db2.gz	IADBRVKWVWIURS-MRVPVSSYSA-N	-2	1	348.154	2.651	10	0		EFAEML
CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000776613970	1299783272	/nfs/dbraw/zinc/78/32/72/1299783272.db2.gz	CROPDDFOGBYQHN-GZMMTYOYSA-N	-2	1	337.800	2.647	10	0		EFAEML
O=C([O-])/C=C/C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000312000862	719792453	/nfs/dbraw/zinc/79/24/53/719792453.db2.gz	PPDZVPFBTFPXPG-OWOJBTEDSA-N	-2	1	344.603	2.566	10	0		EFAEML
O=C([O-])CN(C(=O)c1ncc2ccccc2c1[O-])C1CCCCC1	ZINC000909004116	727306429	/nfs/dbraw/zinc/30/64/29/727306429.db2.gz	CDVFEGAKRSUHAA-UHFFFAOYSA-N	-2	1	328.368	2.800	10	0		EFAEML
O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000909680907	727360420	/nfs/dbraw/zinc/36/04/20/727360420.db2.gz	YUYBJIXOLVEFQS-FWDPORAESA-N	-2	1	343.301	2.736	10	0		EFAEML
CCOc1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc(Cl)c1[O-]	ZINC000910318632	727430509	/nfs/dbraw/zinc/43/05/09/727430509.db2.gz	KJJZVUMGKLNQMU-INIZCTEOSA-N	-2	1	341.791	2.818	10	0		EFAEML
Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(O)c2)cn1	ZINC001649795392	1092685012	/nfs/dbraw/zinc/68/50/12/1092685012.db2.gz	YNSVCGLJEVWGMU-UHFFFAOYSA-N	-2	1	343.202	2.659	10	0		EFAEML
Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC001634699933	1100624705	/nfs/dbraw/zinc/62/47/05/1100624705.db2.gz	VVDGQYLSZMXFLV-UHFFFAOYSA-N	-2	1	329.740	2.530	10	0		EFAEML
Cc1ccc([N-]S(=O)(=O)CC2(F)CC2)c(SCCC(=O)[O-])c1	ZINC000905988782	1103797003	/nfs/dbraw/zinc/79/70/03/1103797003.db2.gz	RVTDCCIKFCNHHX-UHFFFAOYSA-N	-2	1	347.433	2.806	10	0		EFAEML
CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000036340018	213085732	/nfs/dbraw/zinc/08/57/32/213085732.db2.gz	NWTXCZOWTSVDLV-JTQLQIEISA-N	-2	1	346.257	2.977	10	0		EFAEML
CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC(=O)[O-]	ZINC000147346597	310673648	/nfs/dbraw/zinc/67/36/48/310673648.db2.gz	VXNLDMDXHGZHHB-LURJTMIESA-N	-2	1	346.257	2.834	10	0		EFAEML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1N(C)C	ZINC000547866543	318050060	/nfs/dbraw/zinc/05/00/60/318050060.db2.gz	XGVCJTPVQMAJFX-UHFFFAOYSA-N	-2	1	348.424	2.868	10	0		EFAEML
CC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000548265747	318087315	/nfs/dbraw/zinc/08/73/15/318087315.db2.gz	IOGGAHDPLSRGIV-LLVKDONJSA-N	-2	1	329.418	2.960	10	0		EFAEML
CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000579824590	324039205	/nfs/dbraw/zinc/03/92/05/324039205.db2.gz	NZWVAYIGPWRLDX-GZMMTYOYSA-N	-2	1	337.800	2.503	10	0		EFAEML
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000579959017	324067405	/nfs/dbraw/zinc/06/74/05/324067405.db2.gz	YBVWAAVXCAASJE-LLVKDONJSA-N	-2	1	337.800	2.647	10	0		EFAEML
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000000231628	471339096	/nfs/dbraw/zinc/33/90/96/471339096.db2.gz	UVRMCLWWZXGIJE-UHFFFAOYSA-N	-2	1	336.687	2.904	10	0		EFAEML
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H](C)C(=O)[O-]	ZINC000231727123	474263591	/nfs/dbraw/zinc/26/35/91/474263591.db2.gz	YMLDAUQKJVKSEA-WDSKDSINSA-N	-2	1	344.191	2.520	10	0		EFAEML
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000231727117	474264591	/nfs/dbraw/zinc/26/45/91/474264591.db2.gz	YMLDAUQKJVKSEA-RITPCOANSA-N	-2	1	344.191	2.520	10	0		EFAEML
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])cc1C	ZINC000358497312	475725938	/nfs/dbraw/zinc/72/59/38/475725938.db2.gz	MQRNFXQEPMIWJB-UHFFFAOYSA-N	-2	1	347.392	2.833	10	0		EFAEML
O=C(Nc1ccc(F)cc1[O-])c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000436713880	477567182	/nfs/dbraw/zinc/56/71/82/477567182.db2.gz	GOLIVKOMKIUZLN-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-]	ZINC000520407448	478307950	/nfs/dbraw/zinc/30/79/50/478307950.db2.gz	CKSMXBGSAQAXGE-CYBMUJFWSA-N	-2	1	343.376	2.740	10	0		EFAEML
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000514604463	479032389	/nfs/dbraw/zinc/03/23/89/479032389.db2.gz	ZMDIWCWXUPEFRP-ZDUSSCGKSA-N	-2	1	325.386	2.601	10	0		EFAEML
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl	ZINC000573660105	479114053	/nfs/dbraw/zinc/11/40/53/479114053.db2.gz	PADYSIKYAHJRTI-SFYZADRCSA-N	-2	1	347.845	2.942	10	0		EFAEML
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)CCCCC1	ZINC000547545029	479118309	/nfs/dbraw/zinc/11/83/09/479118309.db2.gz	MQKABFYSUKWBNS-UHFFFAOYSA-N	-2	1	340.376	2.740	10	0		EFAEML
CC1(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CC1	ZINC000574329457	479266721	/nfs/dbraw/zinc/26/67/21/479266721.db2.gz	HZHZCVAGNLBQNH-UHFFFAOYSA-N	-2	1	339.291	2.578	10	0		EFAEML
Cc1oc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cc1C(=O)[O-]	ZINC000663437021	482234778	/nfs/dbraw/zinc/23/47/78/482234778.db2.gz	KDAITNGPHFVWED-UHFFFAOYSA-N	-2	1	343.323	2.543	10	0		EFAEML
CCOc1cc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc(Cl)c1[O-]	ZINC000263346632	520657825	/nfs/dbraw/zinc/65/78/25/520657825.db2.gz	OTGHLJDGOZYXDV-ONGXEEELSA-N	-2	1	341.791	2.770	10	0		EFAEML
O=C(Nc1c([O-])cccc1F)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000670814544	547518503	/nfs/dbraw/zinc/51/85/03/547518503.db2.gz	KMFFUPGXDXEBSN-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
O=C(Nc1c([O-])cccc1F)c1nn(-c2ccccc2F)cc1[O-]	ZINC000678374549	548909659	/nfs/dbraw/zinc/90/96/59/548909659.db2.gz	QNAICXRCXLZLFW-UHFFFAOYSA-N	-2	1	331.278	2.814	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000871769607	1287277871	/nfs/dbraw/zinc/27/78/71/1287277871.db2.gz	HRWINRLSWPJPFP-KGYLQXTDSA-N	-2	1	337.397	2.601	10	0		EFAEML
C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1sccc1Cl	ZINC000871769504	1287278091	/nfs/dbraw/zinc/27/80/91/1287278091.db2.gz	KLGYQBFJSPYDEH-KHQFGBGNSA-N	-2	1	337.850	2.569	10	0		EFAEML
CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc([O-])cn1	ZINC001135209716	1287739804	/nfs/dbraw/zinc/73/98/04/1287739804.db2.gz	RCRCDRKVXBEVKC-UHFFFAOYSA-N	-2	1	344.396	2.550	10	0		EFAEML
O=C(Nc1nc(Cl)ccc1[O-])c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000803172130	1312323205	/nfs/dbraw/zinc/32/32/05/1312323205.db2.gz	GXKPKTNFDDVWOX-UHFFFAOYSA-N	-2	1	348.721	2.723	10	0		EFAEML
O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnc(C2CC2)[n-]c1=O	ZINC001465829102	1396715070	/nfs/dbraw/zinc/71/50/70/1396715070.db2.gz	WAWZFJNZIYAYDN-UHFFFAOYSA-N	-2	1	328.353	2.742	10	0		EFAEML
COc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc(Cl)c1[O-]	ZINC000909493531	723520469	/nfs/dbraw/zinc/52/04/69/723520469.db2.gz	DIWZDDRWOABCGI-SNVBAGLBSA-N	-2	1	327.764	2.524	10	0		EFAEML
CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000262491034	724154381	/nfs/dbraw/zinc/15/43/81/724154381.db2.gz	UXENYZXBRIGGDH-SECBINFHSA-N	-2	1	337.800	2.504	10	0		EFAEML
CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-]	ZINC000909863578	727392868	/nfs/dbraw/zinc/39/28/68/727392868.db2.gz	WLPOJPBVDRPIDE-KWQFWETISA-N	-2	1	329.780	2.673	10	0		EFAEML
COc1cc(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc(Cl)c1[O-]	ZINC000910392278	727438404	/nfs/dbraw/zinc/43/84/04/727438404.db2.gz	RFRCNKFIXFAJMA-BLLLJJGKSA-N	-2	1	339.775	2.524	10	0		EFAEML
COc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc(Cl)c1[O-]	ZINC000910568467	727450809	/nfs/dbraw/zinc/45/08/09/727450809.db2.gz	TXYXMCGCYXWESQ-LBPRGKRZSA-N	-2	1	341.791	2.818	10	0		EFAEML