smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(C(F)(F)F)ccc([S-])c1CC(=O)[O-]	ZINC000575393260	366272527	/nfs/dbraw/zinc/27/25/27/366272527.db2.gz	OBDBLHDZEKOSPM-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
O=C([O-])c1cccc(C[C@H](CCCS)C(=O)[O-])c1	ZINC000013686588	361437347	/nfs/dbraw/zinc/43/73/47/361437347.db2.gz	JKPYNGWTXQIZFC-NSHDSACASA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1[S-]	ZINC000575393159	366271484	/nfs/dbraw/zinc/27/14/84/366271484.db2.gz	IBRZEERMFSGOMC-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1ccc(OC(F)(F)F)c([S-])c1C(=O)[O-]	ZINC000575393574	366272595	/nfs/dbraw/zinc/27/25/95/366272595.db2.gz	WJFAHOUUWOMZQJ-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1c(Br)cc([S-])cc1C(=O)[O-]	ZINC000306817086	394518602	/nfs/dbraw/zinc/51/86/02/394518602.db2.gz	CBYWCOPLNLSYHX-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1OC(F)F	ZINC000575388652	395663876	/nfs/dbraw/zinc/66/38/76/395663876.db2.gz	QDGJEYYNSFNZMG-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c([S-])c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000514272530	344925138	/nfs/dbraw/zinc/92/51/38/344925138.db2.gz	ICCXQHAPCCAHKY-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(C(F)(F)F)cc([S-])c1CC(=O)[O-]	ZINC000575393619	366272757	/nfs/dbraw/zinc/27/27/57/366272757.db2.gz	ZBDNYZHWRXVJNV-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])cc(Br)c1CC(=O)[O-]	ZINC000307446978	344722751	/nfs/dbraw/zinc/72/27/51/344722751.db2.gz	XECKUEDFVKAOOU-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c([S-])c1OC(F)F	ZINC000514275876	344925170	/nfs/dbraw/zinc/92/51/70/344925170.db2.gz	AZKAQZJWGABUCG-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])c(OC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575393357	366272885	/nfs/dbraw/zinc/27/28/85/366272885.db2.gz	UIHDSAGJBANMFT-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
O=C([O-])c1cccc(C[C@@H](CCCS)C(=O)[O-])c1	ZINC000003817996	361290265	/nfs/dbraw/zinc/29/02/65/361290265.db2.gz	JKPYNGWTXQIZFC-LLVKDONJSA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1ccc(CC(=O)[O-])c([S-])c1Br	ZINC000306701167	344716670	/nfs/dbraw/zinc/71/66/70/344716670.db2.gz	KGOYBQFUYLXMBX-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)cc([S-])c1CC(=O)[O-]	ZINC000575392949	366270793	/nfs/dbraw/zinc/27/07/93/366270793.db2.gz	AGHSXBSNKRERQZ-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])c(OC(F)(F)F)c1	ZINC000575393151	366271560	/nfs/dbraw/zinc/27/15/60/366271560.db2.gz	HOMIRDZHMRIDGE-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc([S-])c(C(F)(F)F)c(CC(=O)[O-])c1	ZINC000575393334	366272410	/nfs/dbraw/zinc/27/24/10/366272410.db2.gz	SOLWLWCUCUQELE-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1[S-]	ZINC000575393278	366272420	/nfs/dbraw/zinc/27/24/20/366272420.db2.gz	OZZBSQCGSGMFRH-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c(OC(F)(F)F)cc1[S-]	ZINC000575393263	366272730	/nfs/dbraw/zinc/27/27/30/366272730.db2.gz	ODZZJCYPSODQGJ-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c(Br)cc([S-])cc1CC(=O)[O-]	ZINC000306720409	376554229	/nfs/dbraw/zinc/55/42/29/376554229.db2.gz	NDZMKVMYBDZSGO-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
C[Si](C)(C)C#Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000575206469	395646575	/nfs/dbraw/zinc/64/65/75/395646575.db2.gz	QAGZOCCMBVCTSP-UHFFFAOYSA-N	-2	0	262.337	2.312	10	30		CEEERL
N#Cc1cc([S-])c(OC(F)F)c(CC(=O)[O-])c1	ZINC000575388824	395663857	/nfs/dbraw/zinc/66/38/57/395663857.db2.gz	WVPSVPATSRDDOJ-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])cc(Br)c1C(=O)[O-]	ZINC000307346275	344722049	/nfs/dbraw/zinc/72/20/49/344722049.db2.gz	WQKJBPPKWVKSHZ-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(Br)c([S-])c(CC(=O)[O-])c1	ZINC000306664200	344716311	/nfs/dbraw/zinc/71/63/11/344716311.db2.gz	WRRIAPLTPZAYMG-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])cc(Br)cc1CC(=O)[O-]	ZINC000306919238	344718903	/nfs/dbraw/zinc/71/89/03/344718903.db2.gz	KBYGTDQMMOOBEF-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(C(=O)[O-])c(Br)cc1[S-]	ZINC000307524036	376567118	/nfs/dbraw/zinc/56/71/18/376567118.db2.gz	BCHKTXVYVVOHBV-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000040521797	174310477	/nfs/dbraw/zinc/31/04/77/174310477.db2.gz	VLQHXXYGVBPWNM-UHFFFAOYSA-N	-2	0	276.292	2.296	10	30		CEEERL
N#Cc1cc(C(=O)[O-])c([S-])cc1Br	ZINC000307026054	344719573	/nfs/dbraw/zinc/71/95/73/344719573.db2.gz	IWELSJCAZOLCGJ-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1ccc([S-])c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575393054	366271883	/nfs/dbraw/zinc/27/18/83/366271883.db2.gz	CYZXWNQTSTWMFX-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
O=C(C=C([O-])c1cc2cc(Cl)ccc2[nH]1)c1nnn[n-]1	ZINC000216146964	370184271	/nfs/dbraw/zinc/18/42/71/370184271.db2.gz	HPVBQJCFJVPPQC-WZUFQYTHSA-N	-2	0	289.682	2.116	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c(OC(F)F)cc1[S-]	ZINC000575388669	395663848	/nfs/dbraw/zinc/66/38/48/395663848.db2.gz	RHMPDLWFWRGAOS-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c(Br)ccc([S-])c1C(=O)[O-]	ZINC000306581710	344714609	/nfs/dbraw/zinc/71/46/09/344714609.db2.gz	BPXNRLWZNAKGRJ-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c(C(F)(F)F)c1[S-]	ZINC000514276089	344925684	/nfs/dbraw/zinc/92/56/84/344925684.db2.gz	YCSYNJQYMHJLGO-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1ccc(OC(F)(F)F)c([S-])c1CC(=O)[O-]	ZINC000575393600	366272476	/nfs/dbraw/zinc/27/24/76/366272476.db2.gz	XVSAJWULGAYCOV-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c(OC(F)(F)F)cc([S-])cc1C(=O)[O-]	ZINC000575393356	366272642	/nfs/dbraw/zinc/27/26/42/366272642.db2.gz	UFRDEKGZCZDCCW-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc(Br)c([S-])c1CC(=O)[O-]	ZINC000307392032	400339509	/nfs/dbraw/zinc/33/95/09/400339509.db2.gz	XQXCHULKQCFSLO-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])cc(C(=O)[O-])cc1Br	ZINC000307039001	344719689	/nfs/dbraw/zinc/71/96/89/344719689.db2.gz	GRNJODZHUVGGND-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(Br)c([S-])c(C(=O)[O-])c1	ZINC000307344752	344721872	/nfs/dbraw/zinc/72/18/72/344721872.db2.gz	ZQMGNOLUAFNOAJ-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])c(Br)ccc1C(=O)[O-]	ZINC000306607862	344715662	/nfs/dbraw/zinc/71/56/62/344715662.db2.gz	VBFUJPQMQTZZMI-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c(Br)c([S-])ccc1C(=O)[O-]	ZINC000306609538	344715664	/nfs/dbraw/zinc/71/56/64/344715664.db2.gz	YPCMXPMMCIHZNS-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c(C(=O)[O-])ccc([S-])c1OC(F)(F)F	ZINC000514272565	344925295	/nfs/dbraw/zinc/92/52/95/344925295.db2.gz	FIWOJZXKJGMGRH-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])c(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275625	344925402	/nfs/dbraw/zinc/92/54/02/344925402.db2.gz	DSVAQZQDROJUEH-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc([S-])cc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575393129	366270969	/nfs/dbraw/zinc/27/09/69/366270969.db2.gz	GHTVPUMODFHKQG-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c(CC(=O)[O-])cc([S-])cc1C(F)(F)F	ZINC000575393136	366271419	/nfs/dbraw/zinc/27/14/19/366271419.db2.gz	GNOAWLGYPXKMBP-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275204	344925324	/nfs/dbraw/zinc/92/53/24/344925324.db2.gz	HVYKWFWQEVVJAD-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
O=C(C=C([O-])c1c[nH]c2ccc(Cl)cc21)c1nnn[n-]1	ZINC000005974321	170164827	/nfs/dbraw/zinc/16/48/27/170164827.db2.gz	FIBQKRNTWLEWHF-WMZJFQQLSA-N	-2	0	289.682	2.116	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1OC(F)(F)F	ZINC000575392998	366271192	/nfs/dbraw/zinc/27/11/92/366271192.db2.gz	BMDQGMDQJQHERU-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c([S-])c(CC(=O)[O-])ccc1OC(F)(F)F	ZINC000575393225	366271806	/nfs/dbraw/zinc/27/18/06/366271806.db2.gz	LNLMAPKBNWJUJM-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc([S-])cc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575393550	366272789	/nfs/dbraw/zinc/27/27/89/366272789.db2.gz	UQCDEZCBNPQKMT-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(C(=O)[O-])cc([S-])c1OC(F)(F)F	ZINC000575393552	366273163	/nfs/dbraw/zinc/27/31/63/366273163.db2.gz	UROICVGSJKPRJX-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
O=C([O-])c1ccc(C[C@@H](CCCS)C(=O)[O-])cc1	ZINC000013686596	361436901	/nfs/dbraw/zinc/43/69/01/361436901.db2.gz	WDVWCNCIBNEXCG-LLVKDONJSA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1c([S-])cc(OC(F)F)cc1CC(=O)[O-]	ZINC000575388660	395663859	/nfs/dbraw/zinc/66/38/59/395663859.db2.gz	QPTCIWLKOBYACY-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(C(=O)[O-])cc([S-])c1Br	ZINC000306608420	344715672	/nfs/dbraw/zinc/71/56/72/344715672.db2.gz	VZAJKXWCMQKUHM-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(C(F)(F)F)c([S-])cc1CC(=O)[O-]	ZINC000575393626	366272516	/nfs/dbraw/zinc/27/25/16/366272516.db2.gz	ZHZKUIFPMJZXTK-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1ccc(OC(F)(F)F)c(C(=O)[O-])c1[S-]	ZINC000575393280	366272693	/nfs/dbraw/zinc/27/26/93/366272693.db2.gz	PAXQTONHRBDXGL-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c(Br)cc1[S-]	ZINC000306607718	344715686	/nfs/dbraw/zinc/71/56/86/344715686.db2.gz	UUEKYBWTNTUUHB-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc([S-])c(Br)cc1C(=O)[O-]	ZINC000307413351	376565255	/nfs/dbraw/zinc/56/52/55/376565255.db2.gz	UJAXOYGZPONHMX-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1ccc(C(=O)[O-])c([S-])c1OC(F)(F)F	ZINC000514272404	344925280	/nfs/dbraw/zinc/92/52/80/344925280.db2.gz	ZUJLVAKJQHWMCW-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc(OC(F)(F)F)c(CC(=O)[O-])c1[S-]	ZINC000575393167	366270914	/nfs/dbraw/zinc/27/09/14/366270914.db2.gz	INSWCOITUPYCEQ-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc([S-])c(Br)c1C(=O)[O-]	ZINC000306606412	344715638	/nfs/dbraw/zinc/71/56/38/344715638.db2.gz	RLLLBFFZSAQDSM-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])cc(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274847	344925202	/nfs/dbraw/zinc/92/52/02/344925202.db2.gz	SVFZFSRYCQRQTF-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c(CC(=O)[O-])ccc([S-])c1OC(F)F	ZINC000514276343	344925702	/nfs/dbraw/zinc/92/57/02/344925702.db2.gz	FWPONNCHVCABGB-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1C(F)(F)F	ZINC000575393247	366272580	/nfs/dbraw/zinc/27/25/80/366272580.db2.gz	MUBOBGUQZFIVBR-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(Br)cc(CC(=O)[O-])c1[S-]	ZINC000307432006	376565908	/nfs/dbraw/zinc/56/59/08/376565908.db2.gz	MEBUFRQYQWWUTL-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])ccc(Br)c1C(=O)[O-]	ZINC000306769810	394517780	/nfs/dbraw/zinc/51/77/80/394517780.db2.gz	ARQNAEYIFQYYAM-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)c([S-])cc1C(=O)[O-]	ZINC000514272226	344924714	/nfs/dbraw/zinc/92/47/14/344924714.db2.gz	ADPGZJRSIRXUTA-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c([S-])c1OC(F)(F)F	ZINC000514275976	344925141	/nfs/dbraw/zinc/92/51/41/344925141.db2.gz	LJLJZAZNDJVMBE-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1C(F)(F)F	ZINC000575393139	366271244	/nfs/dbraw/zinc/27/12/44/366271244.db2.gz	GSDJTWNGOGHLIM-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575393606	366272895	/nfs/dbraw/zinc/27/28/95/366272895.db2.gz	YCURIKFEZGMJRT-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(C(=O)[O-])cc(Br)c1[S-]	ZINC000307325020	376561892	/nfs/dbraw/zinc/56/18/92/376561892.db2.gz	HXEWNZDXAJBCCS-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(Br)cc([S-])c1CC(=O)[O-]	ZINC000307631806	344723833	/nfs/dbraw/zinc/72/38/33/344723833.db2.gz	ZCGIUTWSUAJIIT-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(Br)c(CC(=O)[O-])cc1[S-]	ZINC000306607264	344715636	/nfs/dbraw/zinc/71/56/36/344715636.db2.gz	TTZAOLNPZNDPAX-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc([S-])c(C(F)(F)F)c1CC(=O)[O-]	ZINC000575393245	366270895	/nfs/dbraw/zinc/27/08/95/366270895.db2.gz	MTPHWZZRZCEPFB-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1[S-]	ZINC000575392953	366271011	/nfs/dbraw/zinc/27/10/11/366271011.db2.gz	AOYJIJNXVYZFRD-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])cc(CC(=O)[O-])c1C(F)(F)F	ZINC000575393353	366272670	/nfs/dbraw/zinc/27/26/70/366272670.db2.gz	TZJNHUSZIWIFLR-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc(Br)c1[S-]	ZINC000307300799	376563204	/nfs/dbraw/zinc/56/32/04/376563204.db2.gz	JBXYXVBNHDCPFG-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(Br)c([S-])cc1CC(=O)[O-]	ZINC000306649733	400335482	/nfs/dbraw/zinc/33/54/82/400335482.db2.gz	GZTVADMUKAKIOW-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000575393018	366271863	/nfs/dbraw/zinc/27/18/63/366271863.db2.gz	BWTFNGFSAXKHEL-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])cc1C(F)(F)F	ZINC000575393636	366273150	/nfs/dbraw/zinc/27/31/50/366273150.db2.gz	ZVIXOFDCQAAAMF-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c(C(F)(F)F)cc1[S-]	ZINC000575393016	366271078	/nfs/dbraw/zinc/27/10/78/366271078.db2.gz	BWRPFTWNVUXREX-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c([S-])cc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000575393226	366271281	/nfs/dbraw/zinc/27/12/81/366271281.db2.gz	LNXNGBSJBRNUGG-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c([S-])c(C(=O)[O-])ccc1OC(F)(F)F	ZINC000575393218	366271586	/nfs/dbraw/zinc/27/15/86/366271586.db2.gz	LFLMSLBGQRLUDK-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1OC(F)(F)F	ZINC000575393025	366271607	/nfs/dbraw/zinc/27/16/07/366271607.db2.gz	CDVOOCRDRCYOIK-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc([S-])cc(C(=O)[O-])c1Br	ZINC000306609542	344715641	/nfs/dbraw/zinc/71/56/41/344715641.db2.gz	YPOQEYNYZCECAJ-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272187	344924785	/nfs/dbraw/zinc/92/47/85/344924785.db2.gz	PURUWFZCGQPIGL-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])c(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272177	344924945	/nfs/dbraw/zinc/92/49/45/344924945.db2.gz	OACWWGVFIUSULG-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1c(CC(=O)[O-])cc([S-])cc1OC(F)(F)F	ZINC000514275709	344925192	/nfs/dbraw/zinc/92/51/92/344925192.db2.gz	LXPPXMVFYGAGNS-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc(OC(F)F)c1[S-]	ZINC000575388364	395663673	/nfs/dbraw/zinc/66/36/73/395663673.db2.gz	FXPXSDFKFFKCPG-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])cc1OC(F)F	ZINC000514275762	344925151	/nfs/dbraw/zinc/92/51/51/344925151.db2.gz	QDZSCYNAEVWUHD-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)c(CC(=O)[O-])cc1[S-]	ZINC000514275651	344925224	/nfs/dbraw/zinc/92/52/24/344925224.db2.gz	GUBQGDUKYFQGLZ-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(C(=O)[O-])c([S-])cc1OC(F)(F)F	ZINC000575393004	366270809	/nfs/dbraw/zinc/27/08/09/366270809.db2.gz	BPIUKRYLSLOHHK-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])cc(OC(F)F)c1CC(=O)[O-]	ZINC000575388343	395663666	/nfs/dbraw/zinc/66/36/66/395663666.db2.gz	DVZZTQVDUVWGTC-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c([S-])c(CC(=O)[O-])ccc1C(F)(F)F	ZINC000575393015	366271615	/nfs/dbraw/zinc/27/16/15/366271615.db2.gz	BUTXADNVHZKRJG-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
O=C([O-])c1ccccc1C[C@@H](CCCS)C(=O)[O-]	ZINC000013686584	361437175	/nfs/dbraw/zinc/43/71/75/361437175.db2.gz	AJRYUIBEXXWDCQ-SNVBAGLBSA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1cc(OC(F)F)cc(CC(=O)[O-])c1[S-]	ZINC000575388444	395663660	/nfs/dbraw/zinc/66/36/60/395663660.db2.gz	IWZUIXMEDIJMDD-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c([S-])c(Br)ccc1CC(=O)[O-]	ZINC000306582642	344715331	/nfs/dbraw/zinc/71/53/31/344715331.db2.gz	CPBIJJIDKYENIQ-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])cc(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275294	344925165	/nfs/dbraw/zinc/92/51/65/344925165.db2.gz	QJMFVGLHQKQFSE-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c([S-])c1C(F)(F)F	ZINC000514276083	344925721	/nfs/dbraw/zinc/92/57/21/344925721.db2.gz	XPBSIRZEYIFBJH-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1[S-]	ZINC000575393583	366272780	/nfs/dbraw/zinc/27/27/80/366272780.db2.gz	WZWICWBMLKNPCT-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])c(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000514271849	344924942	/nfs/dbraw/zinc/92/49/42/344924942.db2.gz	LYVNIHKSGSIXLP-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(OC(F)F)c([S-])cc1CC(=O)[O-]	ZINC000514275797	344925264	/nfs/dbraw/zinc/92/52/64/344925264.db2.gz	SVZFKYPHASLKLD-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)c([S-])c(C(=O)[O-])c1	ZINC000575393233	366271858	/nfs/dbraw/zinc/27/18/58/366271858.db2.gz	LZIJAPVVTREWPV-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1OC(F)F	ZINC000575388376	395663702	/nfs/dbraw/zinc/66/37/02/395663702.db2.gz	HIWMAGLBFBQHSX-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
O=C([O-])c1ccccc1C[C@H](CCCS)C(=O)[O-]	ZINC000013686580	361437706	/nfs/dbraw/zinc/43/77/06/361437706.db2.gz	AJRYUIBEXXWDCQ-JTQLQIEISA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1cc([S-])c(OC(F)F)cc1CC(=O)[O-]	ZINC000575388359	395663656	/nfs/dbraw/zinc/66/36/56/395663656.db2.gz	FOTRYYHYWUJXDF-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
CCc1n[n-]c(=S)n1N=Cc1ccc(C(=O)[O-])cc1	ZINC000035418195	172190505	/nfs/dbraw/zinc/19/05/05/172190505.db2.gz	MUYHSVCLFDKPMX-QPEQYQDCSA-N	-2	0	276.321	2.083	10	30		CEEERL
N#Cc1c(Br)c([S-])ccc1CC(=O)[O-]	ZINC000307650806	344723754	/nfs/dbraw/zinc/72/37/54/344723754.db2.gz	KTHDYCLKTDCQKF-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc(Br)c(C(=O)[O-])c1[S-]	ZINC000306600483	344715270	/nfs/dbraw/zinc/71/52/70/344715270.db2.gz	JGHVQJXTUKHTRR-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1ccc([S-])c(C(=O)[O-])c1OC(F)(F)F	ZINC000575393307	366272629	/nfs/dbraw/zinc/27/26/29/366272629.db2.gz	QZZFOHNTTLNBTI-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc(C(=O)[O-])c(Br)c1[S-]	ZINC000307004509	394519773	/nfs/dbraw/zinc/51/97/73/394519773.db2.gz	JRLLFQATVQBHRD-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc([S-])c(Br)c(CC(=O)[O-])c1	ZINC000307400321	344722433	/nfs/dbraw/zinc/72/24/33/344722433.db2.gz	AVCWGJAIYRMQML-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1Br	ZINC000306603638	344715039	/nfs/dbraw/zinc/71/50/39/344715039.db2.gz	MSLFMEZONHXORE-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])c(OC(F)F)c1	ZINC000514274623	344925133	/nfs/dbraw/zinc/92/51/33/344925133.db2.gz	YUWICFZPSCXLHU-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(OC(F)F)cc([S-])c1CC(=O)[O-]	ZINC000514274388	344925241	/nfs/dbraw/zinc/92/52/41/344925241.db2.gz	ANYRSYLPOZXCOZ-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])c(C(F)(F)F)cc1CC(=O)[O-]	ZINC000575393076	366271395	/nfs/dbraw/zinc/27/13/95/366271395.db2.gz	DIMJPQWYVVKCTC-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1C(F)(F)F	ZINC000575393286	366272945	/nfs/dbraw/zinc/27/29/45/366272945.db2.gz	PDJVQLBTEZQBLV-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])c(Br)cc1CC(=O)[O-]	ZINC000306609474	344715618	/nfs/dbraw/zinc/71/56/18/344715618.db2.gz	YGQFQFBRIOAYKC-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(Br)cc(C(=O)[O-])c1[S-]	ZINC000306923366	344718914	/nfs/dbraw/zinc/71/89/14/344718914.db2.gz	ZSIATHTUFVFQKY-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c(CC(=O)[O-])ccc([S-])c1C(F)(F)F	ZINC000514276405	344925709	/nfs/dbraw/zinc/92/57/09/344925709.db2.gz	VCWMUUQMHZXFLE-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
O=C([O-])C(=O)C=C([O-])c1cccn1Cc1ccc(F)cc1	ZINC000003923667	581102276	/nfs/dbraw/zinc/10/22/76/581102276.db2.gz	UEQYRLJGCMWLDP-JYRVWZFOSA-N	-2	0	289.262	2.228	10	30		CEEERL
N#Cc1c([S-])ccc(C(=O)[O-])c1Br	ZINC000306728855	344716931	/nfs/dbraw/zinc/71/69/31/344716931.db2.gz	CBQPVRWKHUZCOF-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)cc(CC(=O)[O-])c1[S-]	ZINC000575393316	366272926	/nfs/dbraw/zinc/27/29/26/366272926.db2.gz	RJTMJBWZASFUFL-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc([S-])c(C(=O)[O-])c1Br	ZINC000307150661	344720512	/nfs/dbraw/zinc/72/05/12/344720512.db2.gz	AEVLPNMHWFGHRK-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1Br	ZINC000306599700	344715068	/nfs/dbraw/zinc/71/50/68/344715068.db2.gz	HULDCCZTIYQSHS-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c(OC(F)F)c1[S-]	ZINC000514275978	344925102	/nfs/dbraw/zinc/92/51/02/344925102.db2.gz	LKYDDMKEOXDZKM-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])c(Br)c1	ZINC000307324402	376563297	/nfs/dbraw/zinc/56/32/97/376563297.db2.gz	HNYRMWRUJJIDJF-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(OC(F)F)c(CC(=O)[O-])cc1[S-]	ZINC000575388370	395663629	/nfs/dbraw/zinc/66/36/29/395663629.db2.gz	GNXAHFGGVYYZIL-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c(CC(=O)[O-])ccc([S-])c1OC(F)(F)F	ZINC000514276329	344925672	/nfs/dbraw/zinc/92/56/72/344925672.db2.gz	AWLXONVKQGDDOA-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc([S-])c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000575393610	366272428	/nfs/dbraw/zinc/27/24/28/366272428.db2.gz	YLBOKDZFLGGMGG-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc(C(F)(F)F)c([S-])c1CC(=O)[O-]	ZINC000575392976	366271810	/nfs/dbraw/zinc/27/18/10/366271810.db2.gz	BAVRUNRLISXAEM-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)cc([S-])c1C(=O)[O-]	ZINC000575393559	366272446	/nfs/dbraw/zinc/27/24/46/366272446.db2.gz	VAYDUMKFLZNOAO-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1c([S-])cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272180	344924911	/nfs/dbraw/zinc/92/49/11/344924911.db2.gz	OSMULNGNEHDJNC-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1ccc([S-])c(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575393252	366272918	/nfs/dbraw/zinc/27/29/18/366272918.db2.gz	NGYSWHCYTXLWFZ-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc([S-])c(OC(F)F)c1CC(=O)[O-]	ZINC000575388640	395663801	/nfs/dbraw/zinc/66/38/01/395663801.db2.gz	PFHCNACMVDNNDM-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1[S-]	ZINC000575393322	366272391	/nfs/dbraw/zinc/27/23/91/366272391.db2.gz	SANPRBKWLOMAML-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1c(OC(F)(F)F)ccc([S-])c1C(=O)[O-]	ZINC000575393591	366273136	/nfs/dbraw/zinc/27/31/36/366273136.db2.gz	XKRMTWOPBYAYFE-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1Br	ZINC000307036505	344719550	/nfs/dbraw/zinc/71/95/50/344719550.db2.gz	YNVHYOIVBYAECD-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000575393335	366272561	/nfs/dbraw/zinc/27/25/61/366272561.db2.gz	SPAXWOGTLOWCEK-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])cc1Br	ZINC000306582140	344715276	/nfs/dbraw/zinc/71/52/76/344715276.db2.gz	BRERYXDFQVQYDC-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1[S-]	ZINC000514272400	344925087	/nfs/dbraw/zinc/92/50/87/344925087.db2.gz	ZDSNWWLWBGVQLB-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
O=c1cc([O-])nc(NN=Cc2ccc(C(F)(F)F)cc2)[nH]1	ZINC000005387474	361332266	/nfs/dbraw/zinc/33/22/66/361332266.db2.gz	HOBVWSRPRBVBSZ-OMCISZLKSA-N	-2	0	298.224	2.353	10	30		CEEERL
N#Cc1ccc([S-])c(CC(=O)[O-])c1OC(F)F	ZINC000575388862	395663846	/nfs/dbraw/zinc/66/38/46/395663846.db2.gz	ZKZVGPSRTFQZOG-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[O-]	ZINC000071614324	176233648	/nfs/dbraw/zinc/23/36/48/176233648.db2.gz	MRRPUMFBSKMTCP-UHFFFAOYSA-N	-2	0	274.301	2.065	10	30		CEEERL
N#Cc1c([S-])c(C(=O)[O-])ccc1Br	ZINC000306576043	344714460	/nfs/dbraw/zinc/71/44/60/344714460.db2.gz	JVNVIDZOXGRMJW-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])cc(CC(=O)[O-])cc1OC(F)F	ZINC000575388626	395663813	/nfs/dbraw/zinc/66/38/13/395663813.db2.gz	OIKVGYWDMZBFNV-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc2c(c1)N[C@H](S)S2	ZINC000038175197	174136128	/nfs/dbraw/zinc/13/61/28/174136128.db2.gz	MHUCVGGKWUSZIF-KSBSHMNSSA-N	-2	0	285.346	2.061	10	30		CEEERL
N#Cc1c([S-])ccc(CC(=O)[O-])c1Br	ZINC000307539706	344723372	/nfs/dbraw/zinc/72/33/72/344723372.db2.gz	YURFIYNJDJYWKY-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c(CC(=O)[O-])cc([S-])cc1OC(F)F	ZINC000514275747	344925290	/nfs/dbraw/zinc/92/52/90/344925290.db2.gz	OYALIBXZUXRNJN-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1[S-]	ZINC000514276014	344925726	/nfs/dbraw/zinc/92/57/26/344925726.db2.gz	PUBJJXOSJGIEIX-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])c(C(F)(F)F)c1	ZINC000575393180	366271165	/nfs/dbraw/zinc/27/11/65/366271165.db2.gz	JIIGMAHKZKEFIS-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])c(Br)c(C(=O)[O-])c1	ZINC000306581709	344714416	/nfs/dbraw/zinc/71/44/16/344714416.db2.gz	BOXIZEKRIYLFQL-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])cc(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000575393337	366272386	/nfs/dbraw/zinc/27/23/86/366272386.db2.gz	SPVWZKUXMJUALW-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c(CC(=O)[O-])ccc(OC(F)F)c1[S-]	ZINC000575388457	395663612	/nfs/dbraw/zinc/66/36/12/395663612.db2.gz	JIYUBFNFLLZDPF-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c([S-])cc(Br)cc1C(=O)[O-]	ZINC000306600032	344715109	/nfs/dbraw/zinc/71/51/09/344715109.db2.gz	IKBLAHDJGYFNQH-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271867	344924706	/nfs/dbraw/zinc/92/47/06/344924706.db2.gz	WRCRSMYWZAXECE-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1OC(F)(F)F	ZINC000575392954	366270990	/nfs/dbraw/zinc/27/09/90/366270990.db2.gz	ARBBOORCEHZTTE-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])cc1OC(F)F	ZINC000575388645	395663802	/nfs/dbraw/zinc/66/38/02/395663802.db2.gz	PONPOPUQJNEBOO-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
O=C([O-])COc1ccc(C(=O)/C=C/c2ccccn2)c([O-])c1	ZINC000008048262	170316248	/nfs/dbraw/zinc/31/62/48/170316248.db2.gz	GDZSFDUWSXSVDA-QPJJXVBHSA-N	-2	0	299.282	2.147	10	30		CEEERL
N#Cc1c(OC(F)F)ccc([S-])c1CC(=O)[O-]	ZINC000514274464	344925125	/nfs/dbraw/zinc/92/51/25/344925125.db2.gz	IIGXGXWQAIQEMO-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])c([S-])c(OC(F)F)c1	ZINC000575388338	395663583	/nfs/dbraw/zinc/66/35/83/395663583.db2.gz	DPRUFWAJLQTPHN-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])c(C(=O)[O-])c(Br)c1	ZINC000307043666	344719564	/nfs/dbraw/zinc/71/95/64/344719564.db2.gz	VEQWWDZTDXCPOS-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(Br)c(C(=O)[O-])cc1[S-]	ZINC000306738259	344716900	/nfs/dbraw/zinc/71/69/00/344716900.db2.gz	ILQJOYYPYRLXSU-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc([S-])cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575393613	366273143	/nfs/dbraw/zinc/27/31/43/366273143.db2.gz	YMOGXYLRTRCYOZ-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
O=C([O-])c1ccc(C[C@H](CCCS)C(=O)[O-])cc1	ZINC000013686592	361437242	/nfs/dbraw/zinc/43/72/42/361437242.db2.gz	WDVWCNCIBNEXCG-NSHDSACASA-N	-2	0	268.334	2.338	10	30	in-vivo	CEEERL
N#Cc1cc([S-])cc(CC(=O)[O-])c1OC(F)F	ZINC000575388681	395663869	/nfs/dbraw/zinc/66/38/69/395663869.db2.gz	SISHBRDFAOEKFH-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc([S-])c1C(F)(F)F	ZINC000575393175	366271478	/nfs/dbraw/zinc/27/14/78/366271478.db2.gz	IVRRUQQEQDYOOH-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc([S-])c(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000514274116	344925234	/nfs/dbraw/zinc/92/52/34/344925234.db2.gz	MCFRNGYCTLBDLL-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(Br)cc([S-])c1C(=O)[O-]	ZINC000306606964	344715615	/nfs/dbraw/zinc/71/56/15/344715615.db2.gz	SMUJKICXLFRLEP-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1c([S-])ccc(Br)c1CC(=O)[O-]	ZINC000306894497	344718198	/nfs/dbraw/zinc/71/81/98/344718198.db2.gz	LFMVMPMEJKAHIW-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1[S-]	ZINC000575393273	366272453	/nfs/dbraw/zinc/27/24/53/366272453.db2.gz	OSDLGQAGRPLWMO-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
CCc1n[n-]c(=S)n1N=Cc1ccccc1C(=O)[O-]	ZINC000035455586	172206782	/nfs/dbraw/zinc/20/67/82/172206782.db2.gz	LDQCWJZWADFFCK-QPEQYQDCSA-N	-2	0	276.321	2.083	10	30		CEEERL
N#Cc1c([S-])c(C(F)(F)F)ccc1CC(=O)[O-]	ZINC000514275979	344925309	/nfs/dbraw/zinc/92/53/09/344925309.db2.gz	LMFWVZGRZVBQJF-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c(CC(=O)[O-])ccc(OC(F)(F)F)c1[S-]	ZINC000575393173	366270998	/nfs/dbraw/zinc/27/09/98/366270998.db2.gz	IUXTUFCCYBWSNH-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc(Br)c([S-])c1C(=O)[O-]	ZINC000307096687	344720030	/nfs/dbraw/zinc/72/00/30/344720030.db2.gz	IAXIZFFXSWUTOF-UHFFFAOYSA-N	-2	0	258.096	2.308	10	30		CEEERL
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1[S-]	ZINC000575393222	366270939	/nfs/dbraw/zinc/27/09/39/366270939.db2.gz	LJKVUNBKJVRTAC-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1c([S-])c(CC(=O)[O-])ccc1OC(F)F	ZINC000575388703	395663874	/nfs/dbraw/zinc/66/38/74/395663874.db2.gz	UQWXIRWQJMHGRU-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1c([S-])ccc(OC(F)F)c1CC(=O)[O-]	ZINC000575388830	395663881	/nfs/dbraw/zinc/66/38/81/395663881.db2.gz	XECSWYFWJOSIJE-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
O=C([O-])C(=O)C=C([O-])c1ccc(Br)cc1	ZINC000005974070	170164194	/nfs/dbraw/zinc/16/41/94/170164194.db2.gz	IONNFJJWSQNFPW-YVMONPNESA-N	-2	0	271.066	2.002	10	30		CEEERL
N#Cc1c(Br)ccc([S-])c1CC(=O)[O-]	ZINC000306606782	344715600	/nfs/dbraw/zinc/71/56/00/344715600.db2.gz	SAKIFBAMNCEYIU-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1c([S-])ccc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514273068	344925177	/nfs/dbraw/zinc/92/51/77/344925177.db2.gz	RJLVCAXWRFNAPH-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c(OC(F)(F)F)ccc([S-])c1CC(=O)[O-]	ZINC000575393146	366271043	/nfs/dbraw/zinc/27/10/43/366271043.db2.gz	HEPYNOWYGAUMBE-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(OC(F)(F)F)c([S-])cc1CC(=O)[O-]	ZINC000575393125	366271123	/nfs/dbraw/zinc/27/11/23/366271123.db2.gz	GFVNRWVVEDMCSR-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1cc(C(F)(F)F)cc(CC(=O)[O-])c1[S-]	ZINC000575393100	366271567	/nfs/dbraw/zinc/27/15/67/366271567.db2.gz	DYMXMKVNCZMZTJ-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1cc(C(F)(F)F)c(CC(=O)[O-])cc1[S-]	ZINC000575393569	366272498	/nfs/dbraw/zinc/27/24/98/366272498.db2.gz	VVTMXZDHTPWPGR-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1ccc(OC(F)F)c([S-])c1CC(=O)[O-]	ZINC000575388632	395663892	/nfs/dbraw/zinc/66/38/92/395663892.db2.gz	ORJPNTAPFBQKGR-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
N#Cc1cc([S-])cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271846	344924771	/nfs/dbraw/zinc/92/47/71/344924771.db2.gz	KPQHURXLJHPQKP-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL
N#Cc1cc([S-])cc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514273122	344925197	/nfs/dbraw/zinc/92/51/97/344925197.db2.gz	XBPXHCGOEUILMU-UHFFFAOYSA-N	-2	0	261.224	2.493	10	30		CEEERL
N#Cc1c([S-])ccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575393617	366273018	/nfs/dbraw/zinc/27/30/18/366273018.db2.gz	YRONQZOYNYHXRT-UHFFFAOYSA-N	-2	0	277.223	2.373	10	30		CEEERL
N#Cc1ccc(OC(F)F)c(CC(=O)[O-])c1[S-]	ZINC000575388630	395663852	/nfs/dbraw/zinc/66/38/52/395663852.db2.gz	OQLQVXAAPKIBCB-UHFFFAOYSA-N	-2	0	259.233	2.075	10	30		CEEERL
O=C([O-])C(=O)C=C([O-])c1ccc(Br)cc1	ZINC000100389941	364545624	/nfs/dbraw/zinc/54/56/24/364545624.db2.gz	IONNFJJWSQNFPW-VMPITWQZSA-N	-2	0	271.066	2.002	10	30		CEEERL
N#Cc1c([S-])cc(CC(=O)[O-])cc1Br	ZINC000306601595	344715037	/nfs/dbraw/zinc/71/50/37/344715037.db2.gz	KBBOXNLHKVPYNZ-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1ccc([S-])c(Br)c1CC(=O)[O-]	ZINC000306942214	344718939	/nfs/dbraw/zinc/71/89/39/344718939.db2.gz	SCTGVRVQOHIKRJ-UHFFFAOYSA-N	-2	0	272.123	2.237	10	30		CEEERL
N#Cc1cc([S-])c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575393560	366272553	/nfs/dbraw/zinc/27/25/53/366272553.db2.gz	VBECYEPYPXJAQX-UHFFFAOYSA-N	-2	0	263.196	2.444	10	30		CEEERL