smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000325997949	154182180	/nfs/dbraw/zinc/18/21/80/154182180.db2.gz	IDMTXWLYLBVUCV-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
O=C([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)s1	ZINC000494898949	311521475	/nfs/dbraw/zinc/52/14/75/311521475.db2.gz	WSQOCJSMCSBIRQ-UHFFFAOYSA-N	-2	1	340.282	3.369	10	0		EGAEML
CCc1ccc(N[C@@H](c2ccc3c(c2)OCCO3)P(=O)([O-])[O-])cc1	ZINC000012527130	453366564	/nfs/dbraw/zinc/36/65/64/453366564.db2.gz	ZKXYVIVISYKMQU-QGZVFWFLSA-N	-2	1	349.323	3.309	10	0		EGAEML
Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1C(=O)[O-]	ZINC000324938084	456676545	/nfs/dbraw/zinc/67/65/45/456676545.db2.gz	POKIWYJZNRWUAP-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])cc1	ZINC000618761830	460160116	/nfs/dbraw/zinc/16/01/16/460160116.db2.gz	HPFGCRMUQKZZKU-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)s1	ZINC000013087378	323212212	/nfs/dbraw/zinc/21/22/12/323212212.db2.gz	QKWIDWZYWVZMIG-UHFFFAOYSA-N	-2	1	331.802	3.209	10	0		EGAEML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1C	ZINC000386365800	324267476	/nfs/dbraw/zinc/26/74/76/324267476.db2.gz	FCIFEPNUSCMREG-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C(=O)[O-]	ZINC000359032501	167043882	/nfs/dbraw/zinc/04/38/82/167043882.db2.gz	RDIHMWRIQIKKMP-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
Cc1cccc(F)c1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000548197707	458853810	/nfs/dbraw/zinc/85/38/10/458853810.db2.gz	MZEBDIFOFOEOET-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
CCc1ccc(N[C@H](c2ccc3c(c2)OCCO3)P(=O)([O-])[O-])cc1	ZINC000012527131	453367763	/nfs/dbraw/zinc/36/77/63/453367763.db2.gz	ZKXYVIVISYKMQU-KRWDZBQOSA-N	-2	1	349.323	3.309	10	0		EGAEML
Cc1c([N-]S(=O)(=O)c2cccc3cnccc32)cccc1C(=O)[O-]	ZINC000324914098	456675800	/nfs/dbraw/zinc/67/58/00/456675800.db2.gz	QMIJKNNSXXDNSU-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1	ZINC000547550988	458759838	/nfs/dbraw/zinc/75/98/38/458759838.db2.gz	XAAUZQJOWWOYRE-UHFFFAOYSA-N	-2	1	335.381	3.329	10	0		EGAEML
O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000542858077	459604410	/nfs/dbraw/zinc/60/44/10/459604410.db2.gz	GXNZBYSCIYICCH-UHFFFAOYSA-N	-2	1	337.372	3.034	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc(C(=O)[O-])c1C	ZINC000193484167	275225307	/nfs/dbraw/zinc/22/53/07/275225307.db2.gz	SXILODKLZAHPJH-UHFFFAOYSA-N	-2	1	344.392	3.284	10	0		EGAEML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1	ZINC000618761820	460159782	/nfs/dbraw/zinc/15/97/82/460159782.db2.gz	FLSIEPLEUXOMDU-UHFFFAOYSA-N	-2	1	325.773	3.147	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(C)c1C(=O)[O-]	ZINC000193474385	266035832	/nfs/dbraw/zinc/03/58/32/266035832.db2.gz	HWSYXDVZFKKTLP-UHFFFAOYSA-N	-2	1	344.392	3.284	10	0		EGAEML
COc1cc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc(Cl)c1[O-]	ZINC000442823277	459043525	/nfs/dbraw/zinc/04/35/25/459043525.db2.gz	RBOLQGNTKVRBJO-UHFFFAOYSA-N	-2	1	335.743	3.215	10	0		EGAEML
O=C(Nc1ccc([O-])c(Cl)c1)c1ncc(Br)cc1[O-]	ZINC001295292107	1382594966	/nfs/dbraw/zinc/59/49/66/1382594966.db2.gz	KTZAKWISLHUGIN-UHFFFAOYSA-N	-2	1	343.564	3.161	10	0		EGAEML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000023762579	212394733	/nfs/dbraw/zinc/39/47/33/212394733.db2.gz	RUENZMRKLFVSNC-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-]	ZINC000282033648	275597812	/nfs/dbraw/zinc/59/78/12/275597812.db2.gz	YJCNZOHIMKOQSH-UHFFFAOYSA-N	-2	1	347.436	3.457	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1	ZINC000543789256	314656601	/nfs/dbraw/zinc/65/66/01/314656601.db2.gz	YRUXVGSRYVZJDE-UHFFFAOYSA-N	-2	1	333.409	3.203	10	0		EGAEML
Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(C(=O)[O-])c1	ZINC000047495959	454378208	/nfs/dbraw/zinc/37/82/08/454378208.db2.gz	OAPSJYHYRKNKIX-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncsc2c1	ZINC000547559572	458760361	/nfs/dbraw/zinc/76/03/61/458760361.db2.gz	JWRROLYUMXIFCU-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
CCc1cccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1	ZINC000281972771	275592992	/nfs/dbraw/zinc/59/29/92/275592992.db2.gz	ULNVAHQTHHQLJU-UHFFFAOYSA-N	-2	1	347.436	3.457	10	0		EGAEML
CC(C)Cc1nc(=NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s[n-]1	ZINC000618349195	459977141	/nfs/dbraw/zinc/97/71/41/459977141.db2.gz	NXVNMSNVTOUCAG-UHFFFAOYSA-N	-2	1	345.346	3.135	10	0		EGAEML
O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(=O)c2ccccc2[n-]1	ZINC000353880464	165911471	/nfs/dbraw/zinc/91/14/71/165911471.db2.gz	YYOLYZLFJRIZLJ-UHFFFAOYSA-N	-2	1	332.718	3.279	10	0		EGAEML
O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cccc(Cl)c1[O-]	ZINC000550111503	315116998	/nfs/dbraw/zinc/11/69/98/315116998.db2.gz	UKBPKBYJIOBBTO-UHFFFAOYSA-N	-2	1	349.742	3.448	10	0		EGAEML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000392158828	324288571	/nfs/dbraw/zinc/28/85/71/324288571.db2.gz	JJMMHTOUIKPIRY-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000547562737	458760625	/nfs/dbraw/zinc/76/06/25/458760625.db2.gz	LYODSVREPWQINQ-UHFFFAOYSA-N	-2	1	331.802	3.209	10	0		EGAEML
CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C	ZINC000558736871	459206702	/nfs/dbraw/zinc/20/67/02/459206702.db2.gz	SHYQFODSGWNFCA-UHFFFAOYSA-N	-2	1	337.422	3.216	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000026460310	1291273279	/nfs/dbraw/zinc/27/32/79/1291273279.db2.gz	HUWFJVNVJLUPAQ-UHFFFAOYSA-N	-2	1	325.773	3.147	10	0		EGAEML
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2ccccc2cc1[O-]	ZINC000262850827	304147127	/nfs/dbraw/zinc/14/71/27/304147127.db2.gz	WZCPMFJFHYBUNO-PVAVHDDUSA-N	-2	1	339.391	3.403	10	0		EGAEML
Cc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1F	ZINC000313210511	456596633	/nfs/dbraw/zinc/59/66/33/456596633.db2.gz	PSGFAYPKZAUSQQ-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
CCc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1C	ZINC000326368388	456693339	/nfs/dbraw/zinc/69/33/39/456693339.db2.gz	YSUKZTPMGJJNCP-UHFFFAOYSA-N	-2	1	347.436	3.375	10	0		EGAEML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000547871957	458809681	/nfs/dbraw/zinc/80/96/81/458809681.db2.gz	LLVLXGHJJSHDIE-UHFFFAOYSA-N	-2	1	341.335	3.081	10	0		EGAEML
Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000436474275	309756353	/nfs/dbraw/zinc/75/63/53/309756353.db2.gz	BXSXEAGJXZBACI-UHFFFAOYSA-N	-2	1	337.788	3.031	10	0		EGAEML
Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1C(=O)[O-]	ZINC000324305651	308769239	/nfs/dbraw/zinc/76/92/39/308769239.db2.gz	XIYCPDHETHTAQT-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(F)c([O-])c(Cl)c1	ZINC000436922701	309781231	/nfs/dbraw/zinc/78/12/31/309781231.db2.gz	ZQWAGTLPSMXZPI-UHFFFAOYSA-N	-2	1	337.763	3.311	10	0		EGAEML
CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1F	ZINC000507888532	312084752	/nfs/dbraw/zinc/08/47/52/312084752.db2.gz	CGIHXPJKSQESAM-UHFFFAOYSA-N	-2	1	337.372	3.196	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)s1	ZINC000071392803	454206403	/nfs/dbraw/zinc/20/64/03/454206403.db2.gz	KPCNGQQHERBHDU-UHFFFAOYSA-N	-2	1	345.829	3.463	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1	ZINC000281773922	456316987	/nfs/dbraw/zinc/31/69/87/456316987.db2.gz	GVVFCYCOHFAXJF-UHFFFAOYSA-N	-2	1	347.436	3.457	10	0		EGAEML
CCC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1	ZINC000436833454	458390479	/nfs/dbraw/zinc/39/04/79/458390479.db2.gz	LVFHPHSKPIAALN-UHFFFAOYSA-N	-2	1	336.347	3.079	10	0		EGAEML
Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1	ZINC000541929528	459511659	/nfs/dbraw/zinc/51/16/59/459511659.db2.gz	ZUPHPXINYXCCBG-UHFFFAOYSA-N	-2	1	333.409	3.203	10	0		EGAEML
O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000543784661	314656610	/nfs/dbraw/zinc/65/66/10/314656610.db2.gz	DSKSLBBGFOEYSB-UHFFFAOYSA-N	-2	1	337.372	3.034	10	0		EGAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000013313239	546514348	/nfs/dbraw/zinc/51/43/48/546514348.db2.gz	YIQUZJWTXRXPRP-UHFFFAOYSA-N	-2	1	349.383	3.204	10	0		EGAEML
O=C([O-])COc1ccc(C(=O)c2ccc([O-])cc2)c(Cl)c1Cl	ZINC000039317424	453943362	/nfs/dbraw/zinc/94/33/62/453943362.db2.gz	IHHDKXIIMNLSIA-UHFFFAOYSA-N	-2	1	341.146	3.393	10	0		EGAEML
O=C(NCc1ccc([O-])c(Cl)c1)c1cc(F)c(F)c([O-])c1F	ZINC001154105498	1380209734	/nfs/dbraw/zinc/20/97/34/1380209734.db2.gz	DVPSZLDMAFTLMO-UHFFFAOYSA-N	-2	1	331.677	3.099	10	0		EGAEML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000013340495	453460049	/nfs/dbraw/zinc/46/00/49/453460049.db2.gz	UQGDYCXOXVEREY-UHFFFAOYSA-N	-2	1	346.191	3.492	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])s1	ZINC000013269592	323212484	/nfs/dbraw/zinc/21/24/84/323212484.db2.gz	FGQMDWWMCHUIHQ-UHFFFAOYSA-N	-2	1	331.802	3.209	10	0		EGAEML
CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])c1	ZINC000358493954	458038250	/nfs/dbraw/zinc/03/82/50/458038250.db2.gz	JHMFIUOCLSQARX-UHFFFAOYSA-N	-2	1	347.392	3.005	10	0		EGAEML
CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1	ZINC000436638346	458349682	/nfs/dbraw/zinc/34/96/82/458349682.db2.gz	CWWNZHOUFRKHTN-UHFFFAOYSA-N	-2	1	335.381	3.015	10	0		EGAEML
Cc1nc(C=Cc2ccc([O-])c(Cl)c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000436859376	458395520	/nfs/dbraw/zinc/39/55/20/458395520.db2.gz	KGELNRUBCFFAHL-UTCJRWHESA-N	-2	1	334.759	3.037	10	0		EGAEML
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCCC(C)(C)C	ZINC000582006650	459290574	/nfs/dbraw/zinc/29/05/74/459290574.db2.gz	QIPGXTGPXRRBRJ-UHFFFAOYSA-N	-2	1	347.408	3.101	10	0		EGAEML
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-]	ZINC000316280051	456613984	/nfs/dbraw/zinc/61/39/84/456613984.db2.gz	JSLZABCPALNNFU-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1	ZINC000352430122	165399582	/nfs/dbraw/zinc/39/95/82/165399582.db2.gz	DODWMWOACNTYAJ-UHFFFAOYSA-N	-2	1	327.308	3.123	10	0		EGAEML
COc1ccccc1CN[C@H](c1ccc(C)s1)P(=O)([O-])[O-]	ZINC000012938057	453428540	/nfs/dbraw/zinc/42/85/40/453428540.db2.gz	OXZRDQFEIGBPDV-AWEZNQCLSA-N	-2	1	327.342	3.031	10	0		EGAEML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000315545922	154156142	/nfs/dbraw/zinc/15/61/42/154156142.db2.gz	MFXBXPUYGHYUFY-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000008279019	453186220	/nfs/dbraw/zinc/18/62/20/453186220.db2.gz	UKYFGPFTWPAHIK-UHFFFAOYSA-N	-2	1	325.773	3.147	10	0		EGAEML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1	ZINC000013454044	453465068	/nfs/dbraw/zinc/46/50/68/453465068.db2.gz	OSVKLYNEKGPPHY-UHFFFAOYSA-N	-2	1	333.390	3.400	10	0		EGAEML
CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC000443460835	457768024	/nfs/dbraw/zinc/76/80/24/457768024.db2.gz	LOYAFXLUWLEEFJ-UHFFFAOYSA-N	-2	1	337.372	3.196	10	0		EGAEML
CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1F	ZINC000443461493	457768055	/nfs/dbraw/zinc/76/80/55/457768055.db2.gz	DHELSIJWAOMXSV-UHFFFAOYSA-N	-2	1	337.372	3.196	10	0		EGAEML
Cc1nc(SCc2nc(=O)c3sccc3[n-]2)[n-]c(=O)c1C1CC1	ZINC000631025637	461479691	/nfs/dbraw/zinc/47/96/91/461479691.db2.gz	WRXJUVYVJHQJAF-UHFFFAOYSA-N	-2	1	346.437	3.371	10	0		EGAEML
O=C([O-])c1ccc2cc(N3C(=O)c4ccc([O-])cc4C3=O)ccc2c1	ZINC000058863678	295990633	/nfs/dbraw/zinc/99/06/33/295990633.db2.gz	HLPYGXGSFQLRHF-UHFFFAOYSA-N	-2	1	333.299	3.044	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(=O)[O-]	ZINC000193479003	266035997	/nfs/dbraw/zinc/03/59/97/266035997.db2.gz	GBWJDFGMIHBRRH-UHFFFAOYSA-N	-2	1	344.392	3.229	10	0		EGAEML
O=C(Nc1ccc(Br)c([O-])c1)c1c([O-])cc(F)cc1F	ZINC001343492144	1390717382	/nfs/dbraw/zinc/71/73/82/1390717382.db2.gz	RBSYZOIOVLZDLX-UHFFFAOYSA-N	-2	1	344.111	3.391	10	0		EGAEML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1	ZINC000193484473	275225294	/nfs/dbraw/zinc/22/52/94/275225294.db2.gz	JCPWBDINBXOGAS-UHFFFAOYSA-N	-2	1	344.392	3.229	10	0		EGAEML
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000548591055	315023836	/nfs/dbraw/zinc/02/38/36/315023836.db2.gz	BTWXPMOYVXUPCN-UHFFFAOYSA-N	-2	1	349.408	3.116	10	0		EGAEML
CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000324899768	456675162	/nfs/dbraw/zinc/67/51/62/456675162.db2.gz	VFRLGBPZLJGCDV-UHFFFAOYSA-N	-2	1	349.408	3.114	10	0		EGAEML
O=C(Nc1c([O-])cccc1F)c1cccc(Br)c1[O-]	ZINC000608367165	461047775	/nfs/dbraw/zinc/04/77/75/461047775.db2.gz	VNALUSCGKRLENB-UHFFFAOYSA-N	-2	1	326.121	3.252	10	0		EGAEML
CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc([O-])c1Cl	ZINC001327868515	1388610343	/nfs/dbraw/zinc/61/03/43/1388610343.db2.gz	LSZFLRVBPGGNEG-UHFFFAOYSA-N	-2	1	335.816	3.388	10	0		EGAEML
Cc1ccc(-c2cc(=NC(=O)c3c([O-])cc(F)cc3F)[nH][n-]2)s1	ZINC000623491815	460578374	/nfs/dbraw/zinc/57/83/74/460578374.db2.gz	AUKXENNPIYWTSX-UHFFFAOYSA-N	-2	1	335.335	3.105	10	0		EGAEML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cc1	ZINC000358497668	458040016	/nfs/dbraw/zinc/04/00/16/458040016.db2.gz	RWJYPLNUZSMHBO-UHFFFAOYSA-N	-2	1	347.392	3.005	10	0		EGAEML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(=O)[O-]	ZINC000193476853	266035922	/nfs/dbraw/zinc/03/59/22/266035922.db2.gz	JIKFHCSYVXOHCR-UHFFFAOYSA-N	-2	1	344.392	3.284	10	0		EGAEML
CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000530339242	458750849	/nfs/dbraw/zinc/75/08/49/458750849.db2.gz	QPELABNFQCWUBQ-UHFFFAOYSA-N	-2	1	337.372	3.448	10	0		EGAEML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000530957565	458851234	/nfs/dbraw/zinc/85/12/34/458851234.db2.gz	XVJYIPXDCRRXGI-UHFFFAOYSA-N	-2	1	339.438	3.426	10	0		EGAEML
Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C(=O)[O-]	ZINC000359024424	167041854	/nfs/dbraw/zinc/04/18/54/167041854.db2.gz	DPSFPRBIZLKFPP-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)s1	ZINC000048443400	454488815	/nfs/dbraw/zinc/48/88/15/454488815.db2.gz	KPLKQFASPGZPSY-UHFFFAOYSA-N	-2	1	345.829	3.463	10	0		EGAEML
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1[O-]	ZINC000262797063	304149551	/nfs/dbraw/zinc/14/95/51/304149551.db2.gz	LYETXNWEVVFFQU-XYPHTWIQSA-N	-2	1	339.391	3.403	10	0		EGAEML
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(C)CCCCC1	ZINC000548195965	314985912	/nfs/dbraw/zinc/98/59/12/314985912.db2.gz	GZYZOEQRYVOTIQ-UHFFFAOYSA-N	-2	1	341.429	3.106	10	0		EGAEML
Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-]	ZINC000540999812	459416772	/nfs/dbraw/zinc/41/67/72/459416772.db2.gz	IZGVHCHRMBMLQW-UHFFFAOYSA-N	-2	1	333.409	3.203	10	0		EGAEML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)cc(Cl)c1Cl	ZINC000360498756	167342140	/nfs/dbraw/zinc/34/21/40/167342140.db2.gz	CZXXCVLZUXVWFO-UHFFFAOYSA-N	-2	1	346.191	3.492	10	0		EGAEML
Cc1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1	ZINC000319139090	308766899	/nfs/dbraw/zinc/76/68/99/308766899.db2.gz	TXVXHYQVZBMUEY-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)s1	ZINC000071392810	454206483	/nfs/dbraw/zinc/20/64/83/454206483.db2.gz	VUCGROSXDRFZBZ-UHFFFAOYSA-N	-2	1	331.802	3.209	10	0		EGAEML
O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccccc1F	ZINC001116742868	1370965214	/nfs/dbraw/zinc/96/52/14/1370965214.db2.gz	MRBDDDYOXXSGHK-UHFFFAOYSA-N	-2	1	346.177	3.095	10	0		EGAEML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000336878056	154227579	/nfs/dbraw/zinc/22/75/79/154227579.db2.gz	ASTIJVDFJLPRNU-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2cc1[O-]	ZINC000262850828	456062873	/nfs/dbraw/zinc/06/28/73/456062873.db2.gz	WZCPMFJFHYBUNO-UAGQMJEPSA-N	-2	1	339.391	3.403	10	0		EGAEML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000618761959	460160250	/nfs/dbraw/zinc/16/02/50/460160250.db2.gz	XFWDOODZZRISCS-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2)ccc2ccccc21	ZINC000014965022	211779055	/nfs/dbraw/zinc/77/90/55/211779055.db2.gz	CXPIFTCBANXJNX-UHFFFAOYSA-N	-2	1	327.361	3.339	10	0	in-vivo	EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2cccnc12	ZINC000326019941	308770620	/nfs/dbraw/zinc/77/06/20/308770620.db2.gz	PEOUSXYOYSXWOG-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000554533031	315329046	/nfs/dbraw/zinc/32/90/46/315329046.db2.gz	XXMCOFTZTBBIOG-UHFFFAOYSA-N	-2	1	349.408	3.201	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)s1	ZINC000316948747	456615169	/nfs/dbraw/zinc/61/51/69/456615169.db2.gz	YQFXUCXTDNZHHU-UHFFFAOYSA-N	-2	1	339.438	3.481	10	0		EGAEML
Cc1ccccc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000681561774	550014580	/nfs/dbraw/zinc/01/45/80/550014580.db2.gz	MUDWZVDUUKTGIW-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1F	ZINC000547548431	314916215	/nfs/dbraw/zinc/91/62/15/314916215.db2.gz	JBUMBLVJAHSBGD-UHFFFAOYSA-N	-2	1	337.372	3.250	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(C)c1	ZINC000315474383	308766007	/nfs/dbraw/zinc/76/60/07/308766007.db2.gz	CWPKKYMNESYPBW-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
Cc1ccsc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000547544424	458759051	/nfs/dbraw/zinc/75/90/51/458759051.db2.gz	CWTYKNFLQCTIDA-UHFFFAOYSA-N	-2	1	331.802	3.209	10	0		EGAEML
CCC(CC)CCCN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000620198467	460570561	/nfs/dbraw/zinc/57/05/61/460570561.db2.gz	IVABPUUTDCJKOL-UHFFFAOYSA-N	-2	1	346.431	3.033	10	0		EGAEML
COc1ccccc1CN[C@@H](c1ccc(C)s1)P(=O)([O-])[O-]	ZINC000012938051	295363024	/nfs/dbraw/zinc/36/30/24/295363024.db2.gz	OXZRDQFEIGBPDV-CQSZACIVSA-N	-2	1	327.342	3.031	10	0		EGAEML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2ncsc2c1	ZINC000479485194	310876047	/nfs/dbraw/zinc/87/60/47/310876047.db2.gz	FBFVRHMEBCHDPO-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1CC	ZINC000180660028	455220920	/nfs/dbraw/zinc/22/09/20/455220920.db2.gz	VDRDAMUBHJOZDA-UHFFFAOYSA-N	-2	1	347.436	3.239	10	0		EGAEML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2sncc2c1	ZINC000190153211	1295563586	/nfs/dbraw/zinc/56/35/86/1295563586.db2.gz	LQLXFJYOAAPHGD-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)s1	ZINC000032596954	453879347	/nfs/dbraw/zinc/87/93/47/453879347.db2.gz	WVCACHCMWDOADK-UHFFFAOYSA-N	-2	1	325.411	3.172	10	0		EGAEML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000618761889	460159980	/nfs/dbraw/zinc/15/99/80/460159980.db2.gz	SMLQEJLRBRUOPI-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
O=C(Nc1nc(Br)ccc1[O-])c1cccc(Cl)c1[O-]	ZINC001154597968	1380313705	/nfs/dbraw/zinc/31/37/05/1380313705.db2.gz	SWGHVJYUEBWCEY-UHFFFAOYSA-N	-2	1	343.564	3.161	10	0		EGAEML
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1[O-]	ZINC000262797058	304142096	/nfs/dbraw/zinc/14/20/96/304142096.db2.gz	LYETXNWEVVFFQU-JQFCIGGWSA-N	-2	1	339.391	3.403	10	0		EGAEML
Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1C(=O)[O-]	ZINC000336881360	163087395	/nfs/dbraw/zinc/08/73/95/163087395.db2.gz	TXOIOXIBBKDMED-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc(C(=O)[O-])c1	ZINC000507572765	548009949	/nfs/dbraw/zinc/00/99/49/548009949.db2.gz	YNHPGKRFOUFSNR-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(=O)c2ccccc2[n-]1	ZINC000345697277	164246716	/nfs/dbraw/zinc/24/67/16/164246716.db2.gz	CQCMNPWDAZQSBF-UHFFFAOYSA-N	-2	1	332.718	3.279	10	0		EGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Cl)c1	ZINC000315705467	308766141	/nfs/dbraw/zinc/76/61/41/308766141.db2.gz	YMKODRSRJOPVPE-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cccs1	ZINC001321824779	1386991800	/nfs/dbraw/zinc/99/18/00/1386991800.db2.gz	CJVBWUVWMZWZHC-UHFFFAOYSA-N	-2	1	334.216	3.017	10	0		EGAEML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1	ZINC000337153609	163146222	/nfs/dbraw/zinc/14/62/22/163146222.db2.gz	MCKXUJLOAAJZNQ-UHFFFAOYSA-N	-2	1	349.383	3.131	10	0		EGAEML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2cc(O)ccc2c1	ZINC000201199596	456015863	/nfs/dbraw/zinc/01/58/63/456015863.db2.gz	TZOSLTLPZLPRTN-UHFFFAOYSA-N	-2	1	343.360	3.044	10	0		EGAEML
O=S(=O)([N-]c1ccccc1-n1cccn1)c1cccc(Cl)c1[O-]	ZINC000339210953	456994071	/nfs/dbraw/zinc/99/40/71/456994071.db2.gz	VASLYRGDUARREP-UHFFFAOYSA-N	-2	1	349.799	3.032	10	0		EGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(Cl)c1	ZINC000548557349	315023018	/nfs/dbraw/zinc/02/30/18/315023018.db2.gz	PYLJKYSBHNDJGV-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
CCCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000324852525	456674869	/nfs/dbraw/zinc/67/48/69/456674869.db2.gz	HHGMPTHJXAFTID-UHFFFAOYSA-N	-2	1	349.408	3.116	10	0		EGAEML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C	ZINC000547871964	458809635	/nfs/dbraw/zinc/80/96/35/458809635.db2.gz	LQOKSXDESKPSER-UHFFFAOYSA-N	-2	1	337.372	3.250	10	0		EGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1	ZINC000315418238	456607503	/nfs/dbraw/zinc/60/75/03/456607503.db2.gz	CGKMUCUCDBKRHC-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1[O-]	ZINC000262797055	153853968	/nfs/dbraw/zinc/85/39/68/153853968.db2.gz	LYETXNWEVVFFQU-COXVUDFISA-N	-2	1	339.391	3.403	10	0		EGAEML
CCCc1cc(=O)[n-]c(SCc2noc(-c3ccccc3O)n2)n1	ZINC000373006865	458374558	/nfs/dbraw/zinc/37/45/58/458374558.db2.gz	SEDGMLZCWBTDGE-UHFFFAOYSA-N	-2	1	344.396	3.183	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)c(C)o1	ZINC001344594199	1390801908	/nfs/dbraw/zinc/80/19/08/1390801908.db2.gz	IENJIECYWMZNOQ-UHFFFAOYSA-N	-2	1	346.202	3.165	10	0		EGAEML
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2cc1[O-]	ZINC000262850825	456063192	/nfs/dbraw/zinc/06/31/92/456063192.db2.gz	WZCPMFJFHYBUNO-OIISXLGYSA-N	-2	1	339.391	3.403	10	0		EGAEML
COc1c(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1F	ZINC000339205931	456992406	/nfs/dbraw/zinc/99/24/06/456992406.db2.gz	XDNNFZCGNNLOBJ-UHFFFAOYSA-N	-2	1	349.742	3.133	10	0		EGAEML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(N)c2)c(C(=O)[O-])c1	ZINC000547589654	458761937	/nfs/dbraw/zinc/76/19/37/458761937.db2.gz	BHLRMAJBDDVIKP-UHFFFAOYSA-N	-2	1	348.424	3.065	10	0		EGAEML
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1CCCC1	ZINC000548590272	315024295	/nfs/dbraw/zinc/02/42/95/315024295.db2.gz	UCKUJHONNKNNOJ-UHFFFAOYSA-N	-2	1	341.429	3.106	10	0		EGAEML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000547544485	458758880	/nfs/dbraw/zinc/75/88/80/458758880.db2.gz	HSLMMQZYBICUHG-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1CCCC1	ZINC000548595294	315024092	/nfs/dbraw/zinc/02/40/92/315024092.db2.gz	YCUUMDDYQSWJMK-UHFFFAOYSA-N	-2	1	341.429	3.104	10	0		EGAEML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-]	ZINC000095951099	454236574	/nfs/dbraw/zinc/23/65/74/454236574.db2.gz	JUHSLBZFBOTTJR-UHFFFAOYSA-N	-2	1	348.355	3.114	10	0		EGAEML
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1	ZINC000339200089	456988288	/nfs/dbraw/zinc/98/82/88/456988288.db2.gz	CKOGZZVNLSHGHF-UHFFFAOYSA-N	-2	1	325.773	3.049	10	0		EGAEML
CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1	ZINC000339202250	456989422	/nfs/dbraw/zinc/98/94/22/456989422.db2.gz	JONITAMLNAJRMD-UHFFFAOYSA-N	-2	1	327.789	3.245	10	0		EGAEML
O=C(Nc1ccc(Br)c([O-])c1)c1cc(F)c([O-])c(F)c1	ZINC001321967085	1387019894	/nfs/dbraw/zinc/01/98/94/1387019894.db2.gz	TUGIAYXHCCYVLF-UHFFFAOYSA-N	-2	1	344.111	3.391	10	0		EGAEML
Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2s1	ZINC000427130178	309522927	/nfs/dbraw/zinc/52/29/27/309522927.db2.gz	FPGMKCHQDHSLLB-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])s1	ZINC000226360116	456109392	/nfs/dbraw/zinc/10/93/92/456109392.db2.gz	UTOZVTDCHMYMOV-UHFFFAOYSA-N	-2	1	345.829	3.463	10	0		EGAEML
Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C(=O)[O-]	ZINC000078756584	307421165	/nfs/dbraw/zinc/42/11/65/307421165.db2.gz	WUNPWRZOLLSQBN-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000325085020	308769803	/nfs/dbraw/zinc/76/98/03/308769803.db2.gz	HJWZZSGLVUAPLZ-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C(=O)[O-])c1	ZINC000479518856	310876728	/nfs/dbraw/zinc/87/67/28/310876728.db2.gz	RTNJMHGRUPPOIQ-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
CC(C)(C)c1nnc(CN=c2[n-]nc(-c3ccccc3Cl)s2)[nH]1	ZINC000516913698	312350032	/nfs/dbraw/zinc/35/00/32/312350032.db2.gz	BPPNAKSYEGUDHP-UHFFFAOYSA-N	-2	1	348.863	3.308	10	0		EGAEML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000386210672	324266486	/nfs/dbraw/zinc/26/64/86/324266486.db2.gz	MCKFDSJNKMVRIL-UHFFFAOYSA-N	-2	1	343.763	3.287	10	0		EGAEML
Cc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1C(=O)[O-]	ZINC000324774511	456673131	/nfs/dbraw/zinc/67/31/31/456673131.db2.gz	DRSQDNDGIAXORE-UHFFFAOYSA-N	-2	1	342.376	3.042	10	0		EGAEML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000013269594	323212445	/nfs/dbraw/zinc/21/24/45/323212445.db2.gz	VVBPYHZXLPZRNX-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
CCC[C@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000577008356	458963420	/nfs/dbraw/zinc/96/34/20/458963420.db2.gz	LCUPGGGLDBMEOH-LBPRGKRZSA-N	-2	1	343.445	3.350	10	0		EGAEML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1	ZINC001326110078	1388114991	/nfs/dbraw/zinc/11/49/91/1388114991.db2.gz	DYUMFILTZXHZBB-UHFFFAOYSA-N	-2	1	348.355	3.114	10	0		EGAEML
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000547609409	314917545	/nfs/dbraw/zinc/91/75/45/314917545.db2.gz	RDNPBEPGLJMZNH-UHFFFAOYSA-N	-2	1	349.408	3.114	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccc3sncc3c2)cc1C(=O)[O-]	ZINC000190154495	1295564122	/nfs/dbraw/zinc/56/41/22/1295564122.db2.gz	MJILPPNSALHOKN-UHFFFAOYSA-N	-2	1	348.405	3.104	10	0		EGAEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C	ZINC000314362576	456603043	/nfs/dbraw/zinc/60/30/43/456603043.db2.gz	XAWOGMZEOIFYGV-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
O=c1c2nccnc2[n-]c([O-])c1-c1c(F)cccc1C(F)(F)F	ZINC000584652692	459778598	/nfs/dbraw/zinc/77/85/98/459778598.db2.gz	KFDVVCMFEIIIGT-UHFFFAOYSA-N	-2	1	325.221	3.261	10	0		EGAEML
Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc(C(=O)[O-])c1	ZINC000507579145	548009669	/nfs/dbraw/zinc/00/96/69/548009669.db2.gz	JVNJXWZCRHJACG-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
O=P([O-])([O-])C1(Nc2ccc3c(c2)OC(F)(F)O3)CCCCC1	ZINC000012527134	211398850	/nfs/dbraw/zinc/39/88/50/211398850.db2.gz	GXEXTTUKDHJSNP-UHFFFAOYSA-N	-2	1	335.243	3.258	10	0		EGAEML
CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000577008353	324724958	/nfs/dbraw/zinc/72/49/58/324724958.db2.gz	LCUPGGGLDBMEOH-GFCCVEGCSA-N	-2	1	343.445	3.350	10	0		EGAEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000006623247	452961380	/nfs/dbraw/zinc/96/13/80/452961380.db2.gz	RIJQYIZHSLLNNE-UHFFFAOYSA-N	-2	1	325.773	3.147	10	0		EGAEML
CCc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC000443469177	457767908	/nfs/dbraw/zinc/76/79/08/457767908.db2.gz	RCHQNDVLZBWDGY-UHFFFAOYSA-N	-2	1	341.335	3.026	10	0		EGAEML
CSc1ncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(=O)[n-]1	ZINC001295863286	1382847757	/nfs/dbraw/zinc/84/77/57/1382847757.db2.gz	XCFIRTQCESSELG-UHFFFAOYSA-N	-2	1	346.195	3.169	10	0		EGAEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)c1	ZINC000126219415	162296596	/nfs/dbraw/zinc/29/65/96/162296596.db2.gz	CMBAAXHKGXFWJN-UHFFFAOYSA-N	-2	1	347.726	3.117	10	0		EGAEML
O=S(=O)([N-]c1ccc2scnc2c1)c1cccc(Cl)c1[O-]	ZINC000436476944	309756507	/nfs/dbraw/zinc/75/65/07/309756507.db2.gz	KKQMOFHBDNJFFY-UHFFFAOYSA-N	-2	1	340.813	3.456	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)s1	ZINC000071171238	454201107	/nfs/dbraw/zinc/20/11/07/454201107.db2.gz	POZPSCHAKVLDAX-UHFFFAOYSA-N	-2	1	325.411	3.172	10	0		EGAEML
CCC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000447784958	458340676	/nfs/dbraw/zinc/34/06/76/458340676.db2.gz	CNTDPDCSAZIGLW-UHFFFAOYSA-N	-2	1	336.413	3.201	10	0		EGAEML
Cc1c(CC(=O)[O-])c2cc([O-])c(F)cc2n1C(=O)c1ccccc1	ZINC000090694123	217949306	/nfs/dbraw/zinc/94/93/06/217949306.db2.gz	SWIMDDFQZRGHNK-UHFFFAOYSA-N	-2	1	327.311	3.110	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])s1	ZINC000532279188	459059268	/nfs/dbraw/zinc/05/92/68/459059268.db2.gz	JWVGMXGZERIXJX-UHFFFAOYSA-N	-2	1	343.401	3.257	10	0		EGAEML
Cc1cccc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c1	ZINC000618761886	460160359	/nfs/dbraw/zinc/16/03/59/460160359.db2.gz	SKYMNMUVHKZMGR-UHFFFAOYSA-N	-2	1	339.800	3.456	10	0		EGAEML
CC(=O)c1ccc([O-])c(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1	ZINC001152939843	1379996431	/nfs/dbraw/zinc/99/64/31/1379996431.db2.gz	XYYIZVIPUAIRMU-UHFFFAOYSA-N	-2	1	337.331	3.412	10	0		EGAEML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)s1	ZINC000055612195	214332812	/nfs/dbraw/zinc/33/28/12/214332812.db2.gz	BNSDKPDWAWDYTH-UHFFFAOYSA-N	-2	1	347.364	3.088	10	0		EGAEML
CCC(CC)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000548590677	315024186	/nfs/dbraw/zinc/02/41/86/315024186.db2.gz	TXJFKUSKAHSZDV-UHFFFAOYSA-N	-2	1	343.445	3.350	10	0		EGAEML
O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c([O-])cc(F)cc1F	ZINC000620968856	460844809	/nfs/dbraw/zinc/84/48/09/460844809.db2.gz	NRXFMDMENFSIMY-UHFFFAOYSA-N	-2	1	331.278	3.018	10	0		EGAEML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)s1	ZINC001338903366	1389814178	/nfs/dbraw/zinc/81/41/78/1389814178.db2.gz	LNCSEVVBDJXHCD-UHFFFAOYSA-N	-2	1	348.243	3.325	10	0		EGAEML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1	ZINC000630424712	461111246	/nfs/dbraw/zinc/11/12/46/461111246.db2.gz	UPXAHUXUQZMHIO-JKSUJKDBSA-N	-2	1	345.420	3.292	10	0		EGAEML
Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)s1	ZINC000350518118	547664273	/nfs/dbraw/zinc/66/42/73/547664273.db2.gz	TYYACKZLFUDGCR-UHFFFAOYSA-N	-2	1	325.411	3.172	10	0		EGAEML