smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000267477571	329331538	/nfs/dbraw/zinc/33/15/38/329331538.db2.gz	ZQYAXJQDLLOQQE-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1	ZINC000485265379	561316002	/nfs/dbraw/zinc/31/60/02/561316002.db2.gz	LHEXPDUXCWKKFX-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000509395908	561797703	/nfs/dbraw/zinc/79/77/03/561797703.db2.gz	GGDQHSGKWUSPLZ-UHFFFAOYSA-N	-2	0	361.335	2.160	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000463775263	560823744	/nfs/dbraw/zinc/82/37/44/560823744.db2.gz	NSQKWQLPCGRTLJ-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825626171	601233732	/nfs/dbraw/zinc/23/37/32/601233732.db2.gz	WDXWVQVGCWBFHP-UHFFFAOYSA-N	-2	0	353.327	2.238	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1	ZINC000826528220	601485711	/nfs/dbraw/zinc/48/57/11/601485711.db2.gz	PKYOWIFEXXRRFF-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CNC(=O)[O-])o2)n1	ZINC000827355346	604242143	/nfs/dbraw/zinc/24/21/43/604242143.db2.gz	HXTHMGSXFMHBLL-VIFPVBQESA-N	-2	0	363.351	2.170	20	30		FEEDRL
N#Cc1cncc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)c1	ZINC000577805693	671620781	/nfs/dbraw/zinc/62/07/81/671620781.db2.gz	BNXGFFRRGWZVAN-UHFFFAOYSA-N	-2	0	357.391	2.331	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c(F)c1	ZINC000548241474	673940716	/nfs/dbraw/zinc/94/07/16/673940716.db2.gz	CDRLTAODPBPIAG-CYBMUJFWSA-N	-2	0	370.308	2.080	20	30		FEEDRL
CC[C@H](NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-])C(=O)[O-]	ZINC000793071321	682861720	/nfs/dbraw/zinc/86/17/20/682861720.db2.gz	HZJFRQHSDDALOE-NSHDSACASA-N	-2	0	361.320	2.013	20	30		FEEDRL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000864449400	683854831	/nfs/dbraw/zinc/85/48/31/683854831.db2.gz	JOOLHISLPQZTTL-RXMQYKEDSA-N	-2	0	359.272	2.080	20	30		FEEDRL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000132511284	326593641	/nfs/dbraw/zinc/59/36/41/326593641.db2.gz	MQAPSOJMPFPIKD-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1CCC#N	ZINC000271066602	550337121	/nfs/dbraw/zinc/33/71/21/550337121.db2.gz	MTXYNCUFCGJCNU-UHFFFAOYSA-N	-2	0	362.411	2.221	20	30		FEEDRL
N#CCc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)cc1	ZINC000511192666	561860882	/nfs/dbraw/zinc/86/08/82/561860882.db2.gz	LHDJZZVYLPWVDJ-UHFFFAOYSA-N	-2	0	374.374	2.023	20	30		FEEDRL
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000375606670	558056169	/nfs/dbraw/zinc/05/61/69/558056169.db2.gz	JFWNPKMPTDRNGX-UHFFFAOYSA-N	-2	0	373.369	2.297	20	30		FEEDRL
COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OCCC(=O)[O-]	ZINC000435338570	559920529	/nfs/dbraw/zinc/92/05/29/559920529.db2.gz	GTSMZKPBWMXCHM-FLIBITNWSA-N	-2	0	369.377	2.373	20	30		FEEDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000438728591	559982960	/nfs/dbraw/zinc/98/29/60/559982960.db2.gz	YKMLOZNFKRSZAT-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000736088691	600900577	/nfs/dbraw/zinc/90/05/77/600900577.db2.gz	AWJKLLLSPUZZHG-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000823962371	607530142	/nfs/dbraw/zinc/53/01/42/607530142.db2.gz	JNCCJFVMAJYKFT-UHFFFAOYSA-N	-2	0	372.345	2.428	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)c(F)c1	ZINC000833069739	601978166	/nfs/dbraw/zinc/97/81/66/601978166.db2.gz	ONTKLNSMRKQSFD-UHFFFAOYSA-N	-2	0	358.366	2.292	20	30		FEEDRL
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(ccn2CCCNC(=O)[O-])c1	ZINC000824367594	603672904	/nfs/dbraw/zinc/67/29/04/603672904.db2.gz	GFZFYDYIVCSANI-OAHLLOKOSA-N	-2	0	370.409	2.146	20	30		FEEDRL
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(ccn2CCCNC(=O)[O-])c1	ZINC000824367436	603673320	/nfs/dbraw/zinc/67/33/20/603673320.db2.gz	GFZFYDYIVCSANI-HNNXBMFYSA-N	-2	0	370.409	2.146	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000833076307	604807519	/nfs/dbraw/zinc/80/75/19/604807519.db2.gz	BHLQFXXPHRZABA-UHFFFAOYSA-N	-2	0	366.782	2.476	20	30		FEEDRL
N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1	ZINC000833760195	605186362	/nfs/dbraw/zinc/18/63/62/605186362.db2.gz	KAXGRJLHCXPYES-UHFFFAOYSA-N	-2	0	350.352	2.461	20	30		FEEDRL
N#Cc1cc(NC(=O)c2cnc(NC(=O)[O-])cn2)c(Cl)c([N+](=O)[O-])c1	ZINC000833974636	606036116	/nfs/dbraw/zinc/03/61/16/606036116.db2.gz	MJHXIHIGAOFSRB-UHFFFAOYSA-N	-2	0	362.689	2.252	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000745978531	673859798	/nfs/dbraw/zinc/85/97/98/673859798.db2.gz	HZWYMSQJGPEGGU-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#CC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1	ZINC000547869248	673894639	/nfs/dbraw/zinc/89/46/39/673894639.db2.gz	BEUGZEQIVHMSSS-UHFFFAOYSA-N	-2	0	353.356	2.119	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000547868497	673894688	/nfs/dbraw/zinc/89/46/88/673894688.db2.gz	ISPULLRGAXXHDE-UHFFFAOYSA-N	-2	0	360.347	2.064	20	30		FEEDRL
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000327617204	553790132	/nfs/dbraw/zinc/79/01/32/553790132.db2.gz	UAKAWNQWODYSLY-UHFFFAOYSA-N	-2	0	373.312	2.415	20	30		FEEDRL
O=C([O-])CCNN=Cc1cc(Br)c([O-])c(Br)c1	ZINC000821524866	597742580	/nfs/dbraw/zinc/74/25/80/597742580.db2.gz	IGLALHJUXZWTAK-UHFFFAOYSA-N	-2	0	366.009	2.315	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000736075701	600899553	/nfs/dbraw/zinc/89/95/53/600899553.db2.gz	CALOCIPMXTUCSW-UHFFFAOYSA-N	-2	0	363.366	2.266	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000582336053	671990631	/nfs/dbraw/zinc/99/06/31/671990631.db2.gz	FZOOKPRMUKZPRH-UHFFFAOYSA-N	-2	0	366.345	2.056	20	30		FEEDRL
N#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000328336636	673063277	/nfs/dbraw/zinc/06/32/77/673063277.db2.gz	PVYLNJHFAAOEDJ-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
C=CCC[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000776597898	681413562	/nfs/dbraw/zinc/41/35/62/681413562.db2.gz	UMMHASRWSLVSQT-YFKPBYRVSA-N	-2	0	359.272	2.080	20	30		FEEDRL
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N	ZINC000484537536	561299359	/nfs/dbraw/zinc/29/93/59/561299359.db2.gz	HXTZWCNUBKNZTB-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
C=CCCS(=O)(=O)[N-]c1c(OC)ccc(Br)c1C(=O)[O-]	ZINC000269299484	550177931	/nfs/dbraw/zinc/17/79/31/550177931.db2.gz	PSKYZUAVUQPQDT-UHFFFAOYSA-N	-2	0	364.217	2.474	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(Cl)c1	ZINC000321924207	553767429	/nfs/dbraw/zinc/76/74/29/553767429.db2.gz	ZDHZYVFTUUPARN-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000511191498	561860920	/nfs/dbraw/zinc/86/09/20/561860920.db2.gz	IJPQSXKMGFWNDI-UHFFFAOYSA-N	-2	0	360.391	2.189	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427256919	559751527	/nfs/dbraw/zinc/75/15/27/559751527.db2.gz	MIRMDVRYKNCSKW-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427328112	559753369	/nfs/dbraw/zinc/75/33/69/559753369.db2.gz	BVBBIATYEWDYHD-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000433493053	559883073	/nfs/dbraw/zinc/88/30/73/559883073.db2.gz	XIXBICXDSIXCCP-UHFFFAOYSA-N	-2	0	362.363	2.162	20	30		FEEDRL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000436682084	559948858	/nfs/dbraw/zinc/94/88/58/559948858.db2.gz	PCVVAWAODMYWQZ-UHFFFAOYSA-N	-2	0	361.379	2.113	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F	ZINC000471109068	560998497	/nfs/dbraw/zinc/99/84/97/560998497.db2.gz	VKBVWCHZYTUIEW-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C(=O)[O-]	ZINC000471114733	560998557	/nfs/dbraw/zinc/99/85/57/560998557.db2.gz	FXDNDLUXYJVUIL-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C#N	ZINC000738195584	600173725	/nfs/dbraw/zinc/17/37/25/600173725.db2.gz	LQYSYXMDQXFWSM-CQSZACIVSA-N	-2	0	371.418	2.287	20	30		FEEDRL
Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000610156766	600784038	/nfs/dbraw/zinc/78/40/38/600784038.db2.gz	OIGNBZANEGXTFM-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000736089514	600900394	/nfs/dbraw/zinc/90/03/94/600900394.db2.gz	LTBDXEZLXAODGH-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000762616411	601881113	/nfs/dbraw/zinc/88/11/13/601881113.db2.gz	OSAPKCXXAATCRM-UHFFFAOYSA-N	-2	0	359.407	2.432	20	30		FEEDRL
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)ccc1NC(=O)[O-]	ZINC000829961496	605344331	/nfs/dbraw/zinc/34/43/31/605344331.db2.gz	HFKAAFFNICEONE-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743265346	673754440	/nfs/dbraw/zinc/75/44/40/673754440.db2.gz	VCPWSOWBRANQMT-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CC(=O)[O-]	ZINC000548553017	673970431	/nfs/dbraw/zinc/97/04/31/673970431.db2.gz	KTJJLXQVNKYMSA-NSHDSACASA-N	-2	0	360.382	2.252	20	30		FEEDRL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000837290773	680581948	/nfs/dbraw/zinc/58/19/48/680581948.db2.gz	DJQXOCQQSQRVJB-RXMQYKEDSA-N	-2	0	359.272	2.080	20	30		FEEDRL
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000779847878	681760019	/nfs/dbraw/zinc/76/00/19/681760019.db2.gz	HECDUOVHSRLWFB-JTQLQIEISA-N	-2	0	363.351	2.392	20	30		FEEDRL
Cn1nc(Br)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000782348437	682031654	/nfs/dbraw/zinc/03/16/54/682031654.db2.gz	RECRPJOZWIYBPR-HWKANZROSA-N	-2	0	351.156	2.483	20	30		FEEDRL
O=C([N-][C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000855081256	682628242	/nfs/dbraw/zinc/62/82/42/682628242.db2.gz	DLHXPZZPDKCLOG-PHDIDXHHSA-N	-2	0	370.240	2.331	20	30		FEEDRL
CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)n2)c1	ZINC000176271095	327445158	/nfs/dbraw/zinc/44/51/58/327445158.db2.gz	XAJILGDTDNJYLZ-UHFFFAOYSA-N	-2	0	361.365	2.420	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1	ZINC000268005695	329376074	/nfs/dbraw/zinc/37/60/74/329376074.db2.gz	PERCUMOPJBJLON-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000489483781	561412490	/nfs/dbraw/zinc/41/24/90/561412490.db2.gz	XSXJQHJKLLGFBQ-UHFFFAOYSA-N	-2	0	354.315	2.188	20	30		FEEDRL
COc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000504666499	561661050	/nfs/dbraw/zinc/66/10/50/561661050.db2.gz	UZZRZIAEJXIBOX-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000326479913	553780996	/nfs/dbraw/zinc/78/09/96/553780996.db2.gz	GDQAJURGAYNSEF-UHFFFAOYSA-N	-2	0	365.392	2.077	20	30		FEEDRL
Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000431190262	559835607	/nfs/dbraw/zinc/83/56/07/559835607.db2.gz	AWNUDECICKRHGW-UHFFFAOYSA-N	-2	0	360.347	2.064	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000463533822	560818195	/nfs/dbraw/zinc/81/81/95/560818195.db2.gz	SBBMNSABHFJRHL-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000612429342	601994124	/nfs/dbraw/zinc/99/41/24/601994124.db2.gz	XMZJEXLHSRZVLG-UHFFFAOYSA-N	-2	0	352.318	2.013	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000760361541	602118988	/nfs/dbraw/zinc/11/89/88/602118988.db2.gz	ZBKZBJIQGIHFCE-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000779846046	605597425	/nfs/dbraw/zinc/59/74/25/605597425.db2.gz	TXXSILLSQUJKDK-GFCCVEGCSA-N	-2	0	360.391	2.405	20	30		FEEDRL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nn[nH]n1	ZINC000821786721	606858573	/nfs/dbraw/zinc/85/85/73/606858573.db2.gz	ILSWFXDDBVBTSE-DJWKRKHSSA-N	-2	0	366.333	2.175	20	30		FEEDRL
CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000823962367	607965007	/nfs/dbraw/zinc/96/50/07/607965007.db2.gz	JKPOEAPADMKSJN-UHFFFAOYSA-N	-2	0	372.345	2.428	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])s1	ZINC000584270134	672171596	/nfs/dbraw/zinc/17/15/96/672171596.db2.gz	ZYJJAPNZZPCXEK-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000547907589	673902346	/nfs/dbraw/zinc/90/23/46/673902346.db2.gz	XEKVBGRYMJIZSF-JTQLQIEISA-N	-2	0	360.382	2.394	20	30		FEEDRL
O=C([N-]C[C@@H]([N-]C(=O)C(F)(F)F)c1c(F)cccc1F)C(F)(F)F	ZINC000859381830	683097881	/nfs/dbraw/zinc/09/78/81/683097881.db2.gz	XTMHWLCMESVNQQ-SSDOTTSWSA-N	-2	0	364.192	2.363	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(F)c1	ZINC000130158778	544140605	/nfs/dbraw/zinc/14/06/05/544140605.db2.gz	WMVSUYPBDXGAPI-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000489429019	561410883	/nfs/dbraw/zinc/41/08/83/561410883.db2.gz	IBAFIQJJIJDRHN-UHFFFAOYSA-N	-2	0	350.352	2.439	20	30		FEEDRL
C=CCCCS(=O)(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC	ZINC000291946284	552677481	/nfs/dbraw/zinc/67/74/81/552677481.db2.gz	ZAOFDGCTBQOMQF-UHFFFAOYSA-N	-2	0	359.400	2.119	20	30		FEEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1	ZINC000322159336	553767874	/nfs/dbraw/zinc/76/78/74/553767874.db2.gz	GUJDHFZYJDMKOO-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000324422875	553772154	/nfs/dbraw/zinc/77/21/54/553772154.db2.gz	NVYQGBAMGDCUAX-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1Cl	ZINC000437003203	559959391	/nfs/dbraw/zinc/95/93/91/559959391.db2.gz	ZLISWFSCBTZBKP-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1	ZINC000468620429	560934244	/nfs/dbraw/zinc/93/42/44/560934244.db2.gz	SYQMANDTOSDBMQ-UHFFFAOYSA-N	-2	0	374.422	2.323	20	30		FEEDRL
O=C([O-])c1cc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c[nH]1	ZINC000833092715	601792179	/nfs/dbraw/zinc/79/21/79/601792179.db2.gz	LANBYTVFIDQKOT-IWQZZHSRSA-N	-2	0	356.378	2.147	20	30		FEEDRL
N#CC(C(=O)NC1CC1)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000833064680	602032010	/nfs/dbraw/zinc/03/20/10/602032010.db2.gz	UTZFEFFEVXSLRQ-NSHDSACASA-N	-2	0	355.272	2.396	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](NC(=O)[O-])c2ccccc2)n1	ZINC000740206661	602891048	/nfs/dbraw/zinc/89/10/48/602891048.db2.gz	WFEABXNCWAJCKA-GXTWGEPZSA-N	-2	0	373.390	2.180	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc2c(c1)CN(C(=O)[O-])CC2	ZINC000833901212	605876457	/nfs/dbraw/zinc/87/64/57/605876457.db2.gz	GFVPYFIIAVMIFK-UHFFFAOYSA-N	-2	0	372.406	2.099	20	30		FEEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000564692642	675052247	/nfs/dbraw/zinc/05/22/47/675052247.db2.gz	DNPXBTGYJBMANX-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-]	ZINC000571376600	670864380	/nfs/dbraw/zinc/86/43/80/670864380.db2.gz	VWZVIHVOMWNNSS-CQSZACIVSA-N	-2	0	359.407	2.407	20	30		FEEDRL
CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CC(=O)[O-]	ZINC000548542736	673968471	/nfs/dbraw/zinc/96/84/71/673968471.db2.gz	LGJDJKAMQANAHZ-SNVBAGLBSA-N	-2	0	360.382	2.252	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc(C(=O)[O-])c1F	ZINC000763289128	680778525	/nfs/dbraw/zinc/77/85/25/680778525.db2.gz	ZVIRVGCYFUZUDD-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000756939303	680506354	/nfs/dbraw/zinc/50/63/54/680506354.db2.gz	WHNNNAFGVUWDJT-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N	ZINC000779849628	681759986	/nfs/dbraw/zinc/75/99/86/681759986.db2.gz	XIOZLLMCZNMPKS-SECBINFHSA-N	-2	0	350.352	2.378	20	30		FEEDRL
O=C([N-]C[C@H]([N-]C(=O)C(F)(F)F)c1c(F)cccc1F)C(F)(F)F	ZINC000859381832	683097904	/nfs/dbraw/zinc/09/79/04/683097904.db2.gz	XTMHWLCMESVNQQ-ZETCQYMHSA-N	-2	0	364.192	2.363	20	30		FEEDRL
CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000485057230	561311578	/nfs/dbraw/zinc/31/15/78/561311578.db2.gz	QNRRWHILKTYESI-GFCCVEGCSA-N	-2	0	360.382	2.394	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)nn1CCC#N	ZINC000271064714	550336509	/nfs/dbraw/zinc/33/65/09/550336509.db2.gz	MIKIGVUGVFZPAK-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000322732807	553768554	/nfs/dbraw/zinc/76/85/54/553768554.db2.gz	YGYMZKAXFNERSH-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c1	ZINC000515564630	562015530	/nfs/dbraw/zinc/01/55/30/562015530.db2.gz	HBTNEOJDVLSQKU-UHFFFAOYSA-N	-2	0	372.406	2.052	20	30		FEEDRL
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000375608107	558056306	/nfs/dbraw/zinc/05/63/06/558056306.db2.gz	PXRWYDZKPGOACZ-UHFFFAOYSA-N	-2	0	361.408	2.220	20	30		FEEDRL
Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cccc1C(=O)[O-]	ZINC000471113417	560998547	/nfs/dbraw/zinc/99/85/47/560998547.db2.gz	OTQMYNWHASHSHG-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533691544	562516282	/nfs/dbraw/zinc/51/62/82/562516282.db2.gz	XCTFJVSELPDBFQ-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
CC/C=C(/C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736948125	599912593	/nfs/dbraw/zinc/91/25/93/599912593.db2.gz	IZCRLCLRMHQHRA-QCDXTXTGSA-N	-2	0	369.377	2.177	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000737919744	600234948	/nfs/dbraw/zinc/23/49/48/600234948.db2.gz	CVTJCTFHVQIUEQ-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000738251868	603367804	/nfs/dbraw/zinc/36/78/04/603367804.db2.gz	WOWWEULUUNTPEN-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)cc1C#N	ZINC000829754970	603608856	/nfs/dbraw/zinc/60/88/56/603608856.db2.gz	QSFQPOXICSABDX-LBPRGKRZSA-N	-2	0	366.443	2.135	20	30		FEEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-]	ZINC000571376599	670864556	/nfs/dbraw/zinc/86/45/56/670864556.db2.gz	VWZVIHVOMWNNSS-AWEZNQCLSA-N	-2	0	359.407	2.407	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1	ZINC000590598161	672595229	/nfs/dbraw/zinc/59/52/29/672595229.db2.gz	QBMOEPZPYOROFZ-UHFFFAOYSA-N	-2	0	362.411	2.150	20	30		FEEDRL
C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(CC(=O)[O-])C1	ZINC000547891247	673898656	/nfs/dbraw/zinc/89/86/56/673898656.db2.gz	SNNMPDALBUOLKG-HWPZZCPQSA-N	-2	0	372.393	2.396	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(F)c1	ZINC000548199273	673932932	/nfs/dbraw/zinc/93/29/32/673932932.db2.gz	OPEOEOYLAWGWQN-GFCCVEGCSA-N	-2	0	372.374	2.392	20	30		FEEDRL
C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548268224	673945816	/nfs/dbraw/zinc/94/58/16/673945816.db2.gz	IMDMVFNVJUDVLB-NXEZZACHSA-N	-2	0	360.382	2.394	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000775298450	681294695	/nfs/dbraw/zinc/29/46/95/681294695.db2.gz	RWSYQYJSTVBJNX-UHFFFAOYSA-N	-2	0	361.375	2.212	20	30		FEEDRL
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000266499878	329229907	/nfs/dbraw/zinc/22/99/07/329229907.db2.gz	WVKAARMBORQTCY-UHFFFAOYSA-N	-2	0	362.411	2.218	20	30		FEEDRL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000439246055	559990672	/nfs/dbraw/zinc/99/06/72/559990672.db2.gz	KGNHGBGFLOYKCA-UHFFFAOYSA-N	-2	0	351.409	2.469	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000463525706	560818107	/nfs/dbraw/zinc/81/81/07/560818107.db2.gz	JIUMACOZJDKNGX-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)sc1C(=O)[O-]	ZINC000468621791	560934237	/nfs/dbraw/zinc/93/42/37/560934237.db2.gz	YXKAJACKTSPGEY-UHFFFAOYSA-N	-2	0	354.413	2.205	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000832989401	601181616	/nfs/dbraw/zinc/18/16/16/601181616.db2.gz	ZQWJFCKDEBANCQ-SDDRHHMPSA-N	-2	0	350.396	2.062	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000548524523	601976621	/nfs/dbraw/zinc/97/66/21/601976621.db2.gz	LAIJZJQNULNEJU-UHFFFAOYSA-N	-2	0	366.345	2.056	20	30		FEEDRL
N#CC(C(=O)NC1CC1)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000833064677	602032223	/nfs/dbraw/zinc/03/22/23/602032223.db2.gz	UTZFEFFEVXSLRQ-LLVKDONJSA-N	-2	0	355.272	2.396	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1C#N	ZINC000829755529	603606972	/nfs/dbraw/zinc/60/69/72/603606972.db2.gz	YGINOYOLSCWILY-UHFFFAOYSA-N	-2	0	364.427	2.032	20	30		FEEDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000562302863	674738928	/nfs/dbraw/zinc/73/89/28/674738928.db2.gz	DCZHHQFEAMXLJO-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC[C@H](NN=C(C)c1cc(Br)ccc1OCC(=O)[O-])C(=O)[O-]	ZINC000814936960	674889766	/nfs/dbraw/zinc/88/97/66/674889766.db2.gz	PFVASMRWRMBMAO-NSHDSACASA-N	-2	0	373.203	2.089	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)o1	ZINC000548769274	673994018	/nfs/dbraw/zinc/99/40/18/673994018.db2.gz	MJTIEOXDUVDYSB-UHFFFAOYSA-N	-2	0	371.168	2.413	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nn1CCC#N	ZINC000768054314	680936445	/nfs/dbraw/zinc/93/64/45/680936445.db2.gz	QWIIWLPBJZSFOF-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(F)c1	ZINC000776434906	681391433	/nfs/dbraw/zinc/39/14/33/681391433.db2.gz	QAONINWNYQFALW-UHFFFAOYSA-N	-2	0	354.290	2.041	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000325999691	553778675	/nfs/dbraw/zinc/77/86/75/553778675.db2.gz	IODVHQRSRKUTOS-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000523536138	562214861	/nfs/dbraw/zinc/21/48/61/562214861.db2.gz	GSBOTVZCZARYEK-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471133896	560999063	/nfs/dbraw/zinc/99/90/63/560999063.db2.gz	SCEOQUUMARTXNS-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475808825	561105859	/nfs/dbraw/zinc/10/58/59/561105859.db2.gz	GVKUMPLNHBGWIM-UHFFFAOYSA-N	-2	0	364.354	2.399	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(=O)[O-])c2)cc1	ZINC000820836703	598148751	/nfs/dbraw/zinc/14/87/51/598148751.db2.gz	DTIRLKQJZXCQEK-INIZCTEOSA-N	-2	0	352.346	2.032	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(CCC#N)n1	ZINC000738463273	600053924	/nfs/dbraw/zinc/05/39/24/600053924.db2.gz	JUTWQLACVKICKW-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-]	ZINC000738364010	600054574	/nfs/dbraw/zinc/05/45/74/600054574.db2.gz	SFGURPGYRLMRRV-UHFFFAOYSA-N	-2	0	357.800	2.476	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736076720	600899520	/nfs/dbraw/zinc/89/95/20/600899520.db2.gz	SZLAFYULIHCORF-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1CCCCC(=O)[O-]	ZINC000828135642	601202484	/nfs/dbraw/zinc/20/24/84/601202484.db2.gz	POSOZBJFDHZIKT-CQSZACIVSA-N	-2	0	363.395	2.300	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000762616865	601881093	/nfs/dbraw/zinc/88/10/93/601881093.db2.gz	UPULDZRMFJPTBF-UHFFFAOYSA-N	-2	0	359.407	2.052	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000536271515	601974463	/nfs/dbraw/zinc/97/44/63/601974463.db2.gz	KSBFIDNUQYKTDJ-UHFFFAOYSA-N	-2	0	352.318	2.013	20	30		FEEDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000833741579	605127463	/nfs/dbraw/zinc/12/74/63/605127463.db2.gz	SGHLHFFAZWXXPO-UHFFFAOYSA-N	-2	0	367.364	2.335	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000578268841	671652772	/nfs/dbraw/zinc/65/27/72/671652772.db2.gz	DYWNZBMVFQGQJY-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1	ZINC000588316545	672462233	/nfs/dbraw/zinc/46/22/33/672462233.db2.gz	GSIWPPXENBDRCL-NSHDSACASA-N	-2	0	368.798	2.341	20	30		FEEDRL
CC(C)(CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CCC(=O)[O-]	ZINC000547937174	673907408	/nfs/dbraw/zinc/90/74/08/673907408.db2.gz	WZWMMBZTXYKQHN-UHFFFAOYSA-N	-2	0	360.382	2.396	20	30		FEEDRL
CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590033	673977241	/nfs/dbraw/zinc/97/72/41/673977241.db2.gz	NLSQRYITLNMSFO-TVQRCGJNSA-N	-2	0	360.382	2.394	20	30		FEEDRL
O=C([O-])c1ccc2c(c1)n[nH]c2C=Nn1c(C(F)(F)F)n[n-]c1=S	ZINC000765556406	680846546	/nfs/dbraw/zinc/84/65/46/680846546.db2.gz	MOVFYVGLPROOOA-UHFFFAOYSA-N	-2	0	356.289	2.042	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1	ZINC000267407257	329323920	/nfs/dbraw/zinc/32/39/20/329323920.db2.gz	HFSKNKAOJHIXGI-UHFFFAOYSA-N	-2	0	354.413	2.070	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)o1	ZINC000489345749	561408698	/nfs/dbraw/zinc/40/86/98/561408698.db2.gz	RGJDAPVTBFQUCC-UHFFFAOYSA-N	-2	0	371.168	2.413	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507616535	561735458	/nfs/dbraw/zinc/73/54/58/561735458.db2.gz	LFYJDWMVMWZHEP-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000511725712	561879016	/nfs/dbraw/zinc/87/90/16/561879016.db2.gz	DDPUYTBISYUDJK-UHFFFAOYSA-N	-2	0	363.351	2.372	20	30		FEEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000431197136	559835715	/nfs/dbraw/zinc/83/57/15/559835715.db2.gz	OCFSVUQVBLWTHX-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC(C)(C)n1ncc2c1nc(N=NC1CCC(NC(=O)[O-])CC1)[n-]c2=O	ZINC000823875765	605170445	/nfs/dbraw/zinc/17/04/45/605170445.db2.gz	DWARIFRCOKVHIN-UHFFFAOYSA-N	-2	0	361.406	2.265	20	30		FEEDRL
N#CCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000619470161	676378619	/nfs/dbraw/zinc/37/86/19/676378619.db2.gz	OQNBBLWVLSZSEO-UHFFFAOYSA-N	-2	0	361.335	2.160	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000762616230	680755784	/nfs/dbraw/zinc/75/57/84/680755784.db2.gz	OEGWHKCTVIVHSA-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000751214223	680160274	/nfs/dbraw/zinc/16/02/74/680160274.db2.gz	JEZVAPNAPVGVFG-UHFFFAOYSA-N	-2	0	365.338	2.042	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c([O-])c(F)c2)n1	ZINC000759537241	680654956	/nfs/dbraw/zinc/65/49/56/680654956.db2.gz	DCCUYCPUXFZTMC-SECBINFHSA-N	-2	0	352.318	2.469	20	30		FEEDRL
COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1[N-]S(C)(=O)=O	ZINC000912787475	685438670	/nfs/dbraw/zinc/43/86/70/685438670.db2.gz	WIYMNXPBKRFKDG-UHFFFAOYSA-N	-2	0	365.367	2.431	20	30		FEEDRL
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1C(=O)[O-]	ZINC000479255175	561185963	/nfs/dbraw/zinc/18/59/63/561185963.db2.gz	LISGGLHPTPTYBL-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2C#N)c1OC	ZINC000484984323	561309928	/nfs/dbraw/zinc/30/99/28/561309928.db2.gz	DJFWJSBTMDOMOW-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C(F)(F)F	ZINC000325148233	553775540	/nfs/dbraw/zinc/77/55/40/553775540.db2.gz	KYBITNPEBBGWGC-UHFFFAOYSA-N	-2	0	359.285	2.404	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000328384931	553794324	/nfs/dbraw/zinc/79/43/24/553794324.db2.gz	MOUJLMGJOIHQPT-UHFFFAOYSA-N	-2	0	362.363	2.080	20	30		FEEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432174639	559853399	/nfs/dbraw/zinc/85/33/99/559853399.db2.gz	DISKCCBDGVVBBY-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1	ZINC000468961385	560943422	/nfs/dbraw/zinc/94/34/22/560943422.db2.gz	LRHVBVGHKYFAHL-UHFFFAOYSA-N	-2	0	358.375	2.407	20	30		FEEDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000469147922	560948333	/nfs/dbraw/zinc/94/83/33/560948333.db2.gz	MHEDUELPTSXHDM-UHFFFAOYSA-N	-2	0	366.374	2.282	20	30		FEEDRL
C=CCN1C(=O)N[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736107545	599983622	/nfs/dbraw/zinc/98/36/22/599983622.db2.gz	YDLYMTZRHLLETI-ABAIWWIYSA-N	-2	0	360.366	2.149	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000736076117	600899597	/nfs/dbraw/zinc/89/95/97/600899597.db2.gz	LAIACUBYWKHMSQ-UHFFFAOYSA-N	-2	0	365.338	2.042	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000833068082	602113458	/nfs/dbraw/zinc/11/34/58/602113458.db2.gz	MSXAYNPNAPLBLN-UHFFFAOYSA-N	-2	0	362.323	2.357	20	30		FEEDRL
C[C@@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC[C@H]1C(=O)[O-]	ZINC000833569573	604808160	/nfs/dbraw/zinc/80/81/60/604808160.db2.gz	MZVRQXWQZCUHRY-ZUZCIYMTSA-N	-2	0	358.366	2.148	20	30		FEEDRL
CCc1nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)sc1C(=O)[O-]	ZINC000833674560	604991000	/nfs/dbraw/zinc/99/10/00/604991000.db2.gz	DFPJQKHZXLOVJJ-UHFFFAOYSA-N	-2	0	351.409	2.385	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749144946	605164343	/nfs/dbraw/zinc/16/43/43/605164343.db2.gz	GSMVDMLUEPGAIH-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)ccc1NC(=O)[O-]	ZINC000829961552	605349931	/nfs/dbraw/zinc/34/99/31/605349931.db2.gz	JVPFLVLFWSQNMX-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1	ZINC000588316557	672462294	/nfs/dbraw/zinc/46/22/94/672462294.db2.gz	LMKKDANMTIUUSN-GFCCVEGCSA-N	-2	0	374.296	2.274	20	30		FEEDRL
N#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000324850799	673047500	/nfs/dbraw/zinc/04/75/00/673047500.db2.gz	GZHGJOOWUMYJLL-UHFFFAOYSA-N	-2	0	350.327	2.227	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000775296197	681294635	/nfs/dbraw/zinc/29/46/35/681294635.db2.gz	UPONJNNMEQWVFS-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
C=C(C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000864449401	683855248	/nfs/dbraw/zinc/85/52/48/683855248.db2.gz	JOOLHISLPQZTTL-YFKPBYRVSA-N	-2	0	359.272	2.080	20	30		FEEDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000525480725	562248867	/nfs/dbraw/zinc/24/88/67/562248867.db2.gz	JPIQZUDBFJYFLK-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C#N)s2)c1OC	ZINC000435487975	559924073	/nfs/dbraw/zinc/92/40/73/559924073.db2.gz	ABYNRHMVAUEZSV-UHFFFAOYSA-N	-2	0	368.392	2.136	20	30		FEEDRL
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1C(=O)[O-]	ZINC000471112584	560998634	/nfs/dbraw/zinc/99/86/34/560998634.db2.gz	KRNRLGWWJDNDGY-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1CCCCCC(=O)[O-]	ZINC000828135057	600783330	/nfs/dbraw/zinc/78/33/30/600783330.db2.gz	MMJPYLAIKCABTH-OAHLLOKOSA-N	-2	0	361.354	2.221	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1	ZINC000825631791	601203651	/nfs/dbraw/zinc/20/36/51/601203651.db2.gz	MOWGQHQFOPHIMQ-UHFFFAOYSA-N	-2	0	367.404	2.268	20	30		FEEDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000547871594	602111633	/nfs/dbraw/zinc/11/16/33/602111633.db2.gz	RLCGUIYUNGLWKF-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
N#Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)c1	ZINC000831152725	603888652	/nfs/dbraw/zinc/88/86/52/603888652.db2.gz	KUALTKGAYGOLOX-UHFFFAOYSA-N	-2	0	361.335	2.178	20	30		FEEDRL
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1	ZINC000832859752	604625249	/nfs/dbraw/zinc/62/52/49/604625249.db2.gz	VSDBCJLZMSXOGP-UHFFFAOYSA-N	-2	0	351.409	2.141	20	30		FEEDRL
CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000820108390	606201653	/nfs/dbraw/zinc/20/16/53/606201653.db2.gz	KENQDOMURSQPSD-UHFFFAOYSA-N	-2	0	372.345	2.113	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1	ZINC000742232408	673714806	/nfs/dbraw/zinc/71/48/06/673714806.db2.gz	VNERUVVHXDMYNO-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC000751217085	680160575	/nfs/dbraw/zinc/16/05/75/680160575.db2.gz	RNMWPRMPMQFMGB-UHFFFAOYSA-N	-2	0	354.290	2.041	20	30		FEEDRL
COC(=O)C1(CS(=O)(=O)[N-]c2cc(C#N)ccc2[O-])CCCCC1	ZINC000793405030	682886923	/nfs/dbraw/zinc/88/69/23/682886923.db2.gz	LLTGDSVABYQJGI-UHFFFAOYSA-N	-2	0	352.412	2.129	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc(C(=O)[O-])c1	ZINC000507622812	561735558	/nfs/dbraw/zinc/73/55/58/561735558.db2.gz	VJGTXRSSUUYDPR-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])cc2)cc1	ZINC000820832112	598160038	/nfs/dbraw/zinc/16/00/38/598160038.db2.gz	DAIRLUUBHZRGEE-QGZVFWFLSA-N	-2	0	366.373	2.075	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000831945930	601151434	/nfs/dbraw/zinc/15/14/34/601151434.db2.gz	MMPGKGBBHLDXHH-UHFFFAOYSA-N	-2	0	352.393	2.322	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000831946005	601204183	/nfs/dbraw/zinc/20/41/83/601204183.db2.gz	ORQNEQQAIHMSJV-UHFFFAOYSA-N	-2	0	356.356	2.266	20	30		FEEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831031951	605272047	/nfs/dbraw/zinc/27/20/47/605272047.db2.gz	YXNXARWQSMNDBN-UONOGXRCSA-N	-2	0	354.366	2.101	20	30		FEEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831031950	605272110	/nfs/dbraw/zinc/27/21/10/605272110.db2.gz	YXNXARWQSMNDBN-KGLIPLIRSA-N	-2	0	354.366	2.101	20	30		FEEDRL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1	ZINC000743836137	673773328	/nfs/dbraw/zinc/77/33/28/673773328.db2.gz	LOCGPQZGMBHGTO-UHFFFAOYSA-N	-2	0	362.363	2.102	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000753013896	680270432	/nfs/dbraw/zinc/27/04/32/680270432.db2.gz	BRZYDQAFZKELAU-UHFFFAOYSA-N	-2	0	356.354	2.294	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000756936401	680505964	/nfs/dbraw/zinc/50/59/64/680505964.db2.gz	NPIOQDHYWIZGIH-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000739131709	600784694	/nfs/dbraw/zinc/78/46/94/600784694.db2.gz	DZFDGCZNPBKRCB-UHFFFAOYSA-N	-2	0	362.323	2.357	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1CCCCC(=O)[O-]	ZINC000828135638	601202431	/nfs/dbraw/zinc/20/24/31/601202431.db2.gz	POSOZBJFDHZIKT-AWEZNQCLSA-N	-2	0	363.395	2.300	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000830636423	601883049	/nfs/dbraw/zinc/88/30/49/601883049.db2.gz	XRFGMZWVQCLZPK-UHFFFAOYSA-N	-2	0	351.409	2.185	20	30		FEEDRL
Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)c1	ZINC000740167560	602728274	/nfs/dbraw/zinc/72/82/74/602728274.db2.gz	ACZLHGKUHKEHAG-LLVKDONJSA-N	-2	0	358.379	2.180	20	30		FEEDRL
COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(OC)c1C(=O)[O-]	ZINC000833734550	604859605	/nfs/dbraw/zinc/85/96/05/604859605.db2.gz	MFKCWRJKVNMXPX-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@@H]1CNC(=O)[O-])[n-]c2=O	ZINC000823877374	605170380	/nfs/dbraw/zinc/17/03/80/605170380.db2.gz	XBTRFCPZXUVBEZ-SECBINFHSA-N	-2	0	361.406	2.123	20	30		FEEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831031952	605272198	/nfs/dbraw/zinc/27/21/98/605272198.db2.gz	YXNXARWQSMNDBN-ZIAGYGMSSA-N	-2	0	354.366	2.101	20	30		FEEDRL
N#C[C@H](C(=O)C1CN(C(=O)[O-])C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000833960189	605583786	/nfs/dbraw/zinc/58/37/86/605583786.db2.gz	GSNITXFCMMJJGJ-SNVBAGLBSA-N	-2	0	372.406	2.062	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000751215261	680160282	/nfs/dbraw/zinc/16/02/82/680160282.db2.gz	WXWJUVJRQZZMBW-UHFFFAOYSA-N	-2	0	365.338	2.042	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000775297832	681294664	/nfs/dbraw/zinc/29/46/64/681294664.db2.gz	AAOBZEYBXHADBZ-UHFFFAOYSA-N	-2	0	361.375	2.206	20	30		FEEDRL
N#Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000776561118	681405448	/nfs/dbraw/zinc/40/54/48/681405448.db2.gz	HVANMGJTNGBGTR-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cn1ncc(Br)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000782348577	682031727	/nfs/dbraw/zinc/03/17/27/682031727.db2.gz	SRUQMKLKMFSBMA-HYXAFXHYSA-N	-2	0	351.156	2.483	20	30		FEEDRL
COc1cc([N-]S(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])cc1OC	ZINC000013263170	324375423	/nfs/dbraw/zinc/37/54/23/324375423.db2.gz	QLYDULAVGQJKIU-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000504286151	561655501	/nfs/dbraw/zinc/65/55/01/561655501.db2.gz	JWLSBFZCYQEWGP-UHFFFAOYSA-N	-2	0	362.411	2.310	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Cl)c1	ZINC000391319042	558614222	/nfs/dbraw/zinc/61/42/22/558614222.db2.gz	DNDDVOVUDNBSKK-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435498048	559924292	/nfs/dbraw/zinc/92/42/92/559924292.db2.gz	ZPFKRFRKPUZZPC-UHFFFAOYSA-N	-2	0	356.356	2.266	20	30		FEEDRL
N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000738428249	600103635	/nfs/dbraw/zinc/10/36/35/600103635.db2.gz	KSTRDZHLWXTSPM-UHFFFAOYSA-N	-2	0	361.379	2.263	20	30		FEEDRL
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1	ZINC000736088710	600236496	/nfs/dbraw/zinc/23/64/96/600236496.db2.gz	BYHAJSQFNZOEBX-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C#N)ccc1C	ZINC000831939144	601203970	/nfs/dbraw/zinc/20/39/70/601203970.db2.gz	BOIWZWAYJNCVQU-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000825631719	601862368	/nfs/dbraw/zinc/86/23/68/601862368.db2.gz	KLAKIGWOZCRZHD-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C#N)c1C	ZINC000831946341	604399491	/nfs/dbraw/zinc/39/94/91/604399491.db2.gz	UYPQVFFKSIPMDA-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nnc2n1CCCCC2	ZINC000833913535	605972604	/nfs/dbraw/zinc/97/26/04/605972604.db2.gz	GNRGIVWUONOWFF-SECBINFHSA-N	-2	0	360.399	2.349	20	30		FEEDRL
N#CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)CCCCC1	ZINC000564767107	675059593	/nfs/dbraw/zinc/05/95/93/675059593.db2.gz	CTZJOBDJIJBXEL-UHFFFAOYSA-N	-2	0	366.395	2.299	20	30		FEEDRL
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Br)c(F)cc1[O-]	ZINC000746557003	673883819	/nfs/dbraw/zinc/88/38/19/673883819.db2.gz	KVIGMQUAQLZPLQ-UHFFFAOYSA-N	-2	0	356.155	2.329	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cc([O-])cc2F)n1	ZINC000746983748	673900213	/nfs/dbraw/zinc/90/02/13/673900213.db2.gz	AOVQMTOGTQLWCP-SECBINFHSA-N	-2	0	352.318	2.469	20	30		FEEDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C(=O)[O-]	ZINC000753780671	680314372	/nfs/dbraw/zinc/31/43/72/680314372.db2.gz	URDCHYFUCHLUJI-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000768503840	680948582	/nfs/dbraw/zinc/94/85/82/680948582.db2.gz	KUKVRECCXMKZBH-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000268656465	329443068	/nfs/dbraw/zinc/44/30/68/329443068.db2.gz	VWMJGLIOJPTAGD-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000299147223	553521588	/nfs/dbraw/zinc/52/15/88/553521588.db2.gz	KWBYPGWYZCOUQP-UHFFFAOYSA-N	-2	0	363.395	2.183	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1CCC#N	ZINC000504222987	561654734	/nfs/dbraw/zinc/65/47/34/561654734.db2.gz	LKOOXOFGNBGBJO-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000431180020	559835458	/nfs/dbraw/zinc/83/54/58/559835458.db2.gz	FWGVJAJVCCXLNQ-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1	ZINC000736094783	600234844	/nfs/dbraw/zinc/23/48/44/600234844.db2.gz	VMGZOGXDFFADNW-UHFFFAOYSA-N	-2	0	351.384	2.172	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cn1	ZINC000739129709	600237395	/nfs/dbraw/zinc/23/73/95/600237395.db2.gz	AQFAWPOZTPNFRA-UHFFFAOYSA-N	-2	0	369.305	2.054	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000741661489	600684895	/nfs/dbraw/zinc/68/48/95/600684895.db2.gz	ZHBFWVFEHDFPOG-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1C#N	ZINC000832770906	601435903	/nfs/dbraw/zinc/43/59/03/601435903.db2.gz	MROGLIMAYLFISL-UHFFFAOYSA-N	-2	0	350.381	2.096	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1NC(=O)[O-]	ZINC000830231176	604210870	/nfs/dbraw/zinc/21/08/70/604210870.db2.gz	ZXOXXPCJMNVHKH-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)ccc1NC(=O)[O-]	ZINC000829962223	605344155	/nfs/dbraw/zinc/34/41/55/605344155.db2.gz	XOYVEEFGPXSRDZ-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000609106402	675910319	/nfs/dbraw/zinc/91/03/19/675910319.db2.gz	FFWHDWJAFIKFBK-UHFFFAOYSA-N	-2	0	364.354	2.134	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000548214918	673935894	/nfs/dbraw/zinc/93/58/94/673935894.db2.gz	ZJQYAKHBHICEKW-CYBMUJFWSA-N	-2	0	358.366	2.148	20	30		FEEDRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000484957240	561309383	/nfs/dbraw/zinc/30/93/83/561309383.db2.gz	BJNGHQZFZSWREG-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1CCC#N	ZINC000292015489	552684842	/nfs/dbraw/zinc/68/48/42/552684842.db2.gz	ZGVNVUYRMCEPCX-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1F	ZINC000427191706	559750108	/nfs/dbraw/zinc/75/01/08/559750108.db2.gz	IMBOCVHIWAFLNT-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1F	ZINC000739098923	600235468	/nfs/dbraw/zinc/23/54/68/600235468.db2.gz	LUAVYPBUKHJLMM-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
O=C([O-])C(C([O-])=Cn1sc2ccccc2c1=O)c1nc2ccccc2[nH]1	ZINC000833163432	602052086	/nfs/dbraw/zinc/05/20/86/602052086.db2.gz	HKXGXNLDVWXQDU-UHFFFAOYSA-N	-2	0	367.386	2.466	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C(C)(C)NC(=O)[O-])n1	ZINC000830655140	603776161	/nfs/dbraw/zinc/77/61/61/603776161.db2.gz	JCVDMGZFFYIYAB-JTQLQIEISA-N	-2	0	367.427	2.243	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000833913433	605972698	/nfs/dbraw/zinc/97/26/98/605972698.db2.gz	BWZURDIOOYSWEW-LLVKDONJSA-N	-2	0	358.379	2.180	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000775298121	681294657	/nfs/dbraw/zinc/29/46/57/681294657.db2.gz	HUWOLNWDVBLUHE-UHFFFAOYSA-N	-2	0	361.375	2.206	20	30		FEEDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c[nH]1	ZINC000833305996	600982004	/nfs/dbraw/zinc/98/20/04/600982004.db2.gz	BGIKUUSPMJCUDM-UHFFFAOYSA-N	-2	0	367.386	2.309	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000762615815	601881003	/nfs/dbraw/zinc/88/10/03/601881003.db2.gz	MIBUFCRRUXQOAM-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@H]1CNC(=O)[O-])[n-]c2=O	ZINC000823877375	605170411	/nfs/dbraw/zinc/17/04/11/605170411.db2.gz	XBTRFCPZXUVBEZ-VIFPVBQESA-N	-2	0	361.406	2.123	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)CN(C(=O)[O-])c2ccccc2)n1	ZINC000830655526	605312042	/nfs/dbraw/zinc/31/20/42/605312042.db2.gz	TVXWVTXICGEBDN-CYBMUJFWSA-N	-2	0	373.390	2.356	20	30		FEEDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610156396	675957690	/nfs/dbraw/zinc/95/76/90/675957690.db2.gz	KYFCSDPHBLOXCT-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000610253672	675961235	/nfs/dbraw/zinc/96/12/35/675961235.db2.gz	YFLJXDOSLCMYNM-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC2CCC(C#N)CC2)c1F	ZINC000282351410	551215521	/nfs/dbraw/zinc/21/55/21/551215521.db2.gz	YGPMJVVMMWPCEI-UHFFFAOYSA-N	-2	0	354.403	2.441	20	30		FEEDRL
CCOc1ccc(C#N)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000468056041	560921770	/nfs/dbraw/zinc/92/17/70/560921770.db2.gz	FACJNSLXBYGIOJ-UHFFFAOYSA-N	-2	0	365.349	2.267	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000471135680	560999050	/nfs/dbraw/zinc/99/90/50/560999050.db2.gz	FLAIMWSKVRCOAF-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1SCC#N	ZINC000738864799	599802449	/nfs/dbraw/zinc/80/24/49/599802449.db2.gz	FOJJHNUEWXBELV-UHFFFAOYSA-N	-2	0	359.410	2.159	20	30		FEEDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1C(=O)[O-]	ZINC000738336935	600236498	/nfs/dbraw/zinc/23/64/98/600236498.db2.gz	BNTKERBKSZKSBS-UHFFFAOYSA-N	-2	0	366.424	2.223	20	30		FEEDRL
CCC/C=C\C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736976253	600273164	/nfs/dbraw/zinc/27/31/64/600273164.db2.gz	XTUHACPNRPAJDU-PLNGDYQASA-N	-2	0	369.377	2.177	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N	ZINC000738196991	600365618	/nfs/dbraw/zinc/36/56/18/600365618.db2.gz	VRBPIZDCUGHOGX-GFCCVEGCSA-N	-2	0	355.375	2.209	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1	ZINC000830635407	601602361	/nfs/dbraw/zinc/60/23/61/601602361.db2.gz	MLCKSFYMUMFVIQ-UHFFFAOYSA-N	-2	0	351.409	2.185	20	30		FEEDRL
Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1	ZINC000740277220	602728294	/nfs/dbraw/zinc/72/82/94/602728294.db2.gz	GAXRXVSBWXJEMX-VIFPVBQESA-N	-2	0	355.379	2.287	20	30		FEEDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C	ZINC000831374215	604399686	/nfs/dbraw/zinc/39/96/86/604399686.db2.gz	PNVMUHOXGXSRMY-UHFFFAOYSA-N	-2	0	374.374	2.152	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000832318665	604881270	/nfs/dbraw/zinc/88/12/70/604881270.db2.gz	HQJQRMPVQLDKNW-HNNXBMFYSA-N	-2	0	370.336	2.171	20	30		FEEDRL
CC(C)Oc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1C#N	ZINC000827058735	605009727	/nfs/dbraw/zinc/00/97/27/605009727.db2.gz	UCEJSNLDGNYFRO-UHFFFAOYSA-N	-2	0	367.408	2.301	20	30		FEEDRL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548555391	673971099	/nfs/dbraw/zinc/97/10/99/673971099.db2.gz	GJMPRNKHJXOIEM-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000776554856	681404403	/nfs/dbraw/zinc/40/44/03/681404403.db2.gz	LRPDDLHSRKDNQI-LBPRGKRZSA-N	-2	0	372.393	2.396	20	30		FEEDRL
CC[C@@H](NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-])C(=O)[O-]	ZINC000793071320	682861745	/nfs/dbraw/zinc/86/17/45/682861745.db2.gz	HZJFRQHSDDALOE-LLVKDONJSA-N	-2	0	361.320	2.013	20	30		FEEDRL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000795360569	683044608	/nfs/dbraw/zinc/04/46/08/683044608.db2.gz	CIPZMPAKJQEDLV-UHFFFAOYSA-N	-2	0	367.333	2.377	20	30		FEEDRL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1	ZINC000013252468	539584871	/nfs/dbraw/zinc/58/48/71/539584871.db2.gz	MJMVUFVOOGMGEX-UHFFFAOYSA-N	-2	0	368.411	2.325	20	30		FEEDRL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000484978995	561309765	/nfs/dbraw/zinc/30/97/65/561309765.db2.gz	GQKOFHVENFWNQQ-UHFFFAOYSA-N	-2	0	361.379	2.239	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c(F)c1	ZINC000739132390	600543330	/nfs/dbraw/zinc/54/33/30/600543330.db2.gz	NRWRGJZJAKNNCD-UHFFFAOYSA-N	-2	0	360.326	2.073	20	30		FEEDRL
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc(C)c1OCC(=O)[O-]	ZINC000832858778	601499915	/nfs/dbraw/zinc/49/99/15/601499915.db2.gz	FYCOVLVUMMCIRI-HNNXBMFYSA-N	-2	0	358.394	2.148	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1NC(=O)[O-]	ZINC000830230635	604212478	/nfs/dbraw/zinc/21/24/78/604212478.db2.gz	OIXLABDJSOBYAO-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832849966	604399711	/nfs/dbraw/zinc/39/97/11/604399711.db2.gz	VFHZCBYOZDEAET-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1	ZINC000833367773	604858738	/nfs/dbraw/zinc/85/87/38/604858738.db2.gz	UNCKHWOZWTWXAF-UHFFFAOYSA-N	-2	0	361.375	2.184	20	30		FEEDRL
COc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])c1	ZINC000577330960	671588042	/nfs/dbraw/zinc/58/80/42/671588042.db2.gz	DFEACZKUOWXISX-UHFFFAOYSA-N	-2	0	361.379	2.078	20	30		FEEDRL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000566623397	675230133	/nfs/dbraw/zinc/23/01/33/675230133.db2.gz	ILQHNLVLZSOYRS-UHFFFAOYSA-N	-2	0	356.375	2.358	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000755414636	680413653	/nfs/dbraw/zinc/41/36/53/680413653.db2.gz	DKEUKVOFZVFJTI-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000525481876	562249218	/nfs/dbraw/zinc/24/92/18/562249218.db2.gz	PBRKJHMMFGJLIN-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1	ZINC000468617683	560934122	/nfs/dbraw/zinc/93/41/22/560934122.db2.gz	IMUXTTGQIYSVDV-UHFFFAOYSA-N	-2	0	362.411	2.154	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc(C(=O)[O-])c1C	ZINC000471127748	560998837	/nfs/dbraw/zinc/99/88/37/560998837.db2.gz	RMZBXDNRGJMVOC-UHFFFAOYSA-N	-2	0	362.411	2.452	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])cc2)cc1	ZINC000820837080	598159973	/nfs/dbraw/zinc/15/99/73/598159973.db2.gz	NHKNSLDNUOXAPQ-MRXNPFEDSA-N	-2	0	352.346	2.032	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000832989400	601181585	/nfs/dbraw/zinc/18/15/85/601181585.db2.gz	ZQWJFCKDEBANCQ-QJPTWQEYSA-N	-2	0	350.396	2.062	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000825626193	601862321	/nfs/dbraw/zinc/86/23/21/601862321.db2.gz	WXJXAUOSTXXKDH-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)cc1	ZINC000739540581	602727849	/nfs/dbraw/zinc/72/78/49/602727849.db2.gz	CKEDXNDPNHADDS-GFCCVEGCSA-N	-2	0	372.406	2.434	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000738434428	603011062	/nfs/dbraw/zinc/01/10/62/603011062.db2.gz	FHGKJDKUAXKWAY-UHFFFAOYSA-N	-2	0	362.323	2.357	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833902007	606093040	/nfs/dbraw/zinc/09/30/40/606093040.db2.gz	QZKLBSUVUMEHND-UHFFFAOYSA-N	-2	0	373.390	2.004	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743265547	673754467	/nfs/dbraw/zinc/75/44/67/673754467.db2.gz	ZDVQJCHQZWWCIE-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000751215349	680160290	/nfs/dbraw/zinc/16/02/90/680160290.db2.gz	KJAULCKQAUUFQW-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F	ZINC000416951790	559339997	/nfs/dbraw/zinc/33/99/97/559339997.db2.gz	GPPZIMFISRKWOL-MRVPVSSYSA-N	-2	0	352.290	2.327	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@@H](c2cccc(C#N)c2)NC(=O)N1CCCCC(=O)[O-]	ZINC000736752176	599989000	/nfs/dbraw/zinc/98/90/00/599989000.db2.gz	UYVGJPOJUSXCSV-MRXNPFEDSA-N	-2	0	357.366	2.238	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1Cl	ZINC000739129801	600122473	/nfs/dbraw/zinc/12/24/73/600122473.db2.gz	DTTWBNINHWXITF-UHFFFAOYSA-N	-2	0	370.795	2.090	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000739130987	600122740	/nfs/dbraw/zinc/12/27/40/600122740.db2.gz	ZYESWCJCXNNGOU-UHFFFAOYSA-N	-2	0	364.766	2.029	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(CCC#N)n1	ZINC000738463214	600891748	/nfs/dbraw/zinc/89/17/48/600891748.db2.gz	DXOXOZYUAQTMSO-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825632162	601233713	/nfs/dbraw/zinc/23/37/13/601233713.db2.gz	TXBPPLDCKPMBRU-UHFFFAOYSA-N	-2	0	353.327	2.238	20	30		FEEDRL
CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000827037844	601837413	/nfs/dbraw/zinc/83/74/13/601837413.db2.gz	BTDOLIBHBIGQNS-UHFFFAOYSA-N	-2	0	367.408	2.301	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)ccc1C(=O)[O-]	ZINC000795332967	601881008	/nfs/dbraw/zinc/88/10/08/601881008.db2.gz	XOVWPMNQZZCILZ-UHFFFAOYSA-N	-2	0	359.407	2.432	20	30		FEEDRL
N#CCc1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000833068701	601964778	/nfs/dbraw/zinc/96/47/78/601964778.db2.gz	AKAHQSVYCBSKBE-UHFFFAOYSA-N	-2	0	351.771	2.300	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c(F)c1	ZINC000833069663	601985771	/nfs/dbraw/zinc/98/57/71/601985771.db2.gz	KREQDAHEWPRPJQ-ZDUSSCGKSA-N	-2	0	358.366	2.148	20	30		FEEDRL
C[C@@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC[C@@H]1C(=O)[O-]	ZINC000833569572	604808320	/nfs/dbraw/zinc/80/83/20/604808320.db2.gz	MZVRQXWQZCUHRY-MEBBXXQBSA-N	-2	0	358.366	2.148	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768505584	680948574	/nfs/dbraw/zinc/94/85/74/680948574.db2.gz	SJSOVSVLFXCKDW-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cn1ncc(Br)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000782348576	682031585	/nfs/dbraw/zinc/03/15/85/682031585.db2.gz	SRUQMKLKMFSBMA-HWKANZROSA-N	-2	0	351.156	2.483	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)sc1C(=O)[O-]	ZINC000532045198	562465080	/nfs/dbraw/zinc/46/50/80/562465080.db2.gz	GFRMLFAIMXMISZ-UHFFFAOYSA-N	-2	0	365.436	2.493	20	30		FEEDRL
CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccccc1	ZINC000736125312	599987459	/nfs/dbraw/zinc/98/74/59/599987459.db2.gz	HOJHBSWXLDHKMQ-MRXNPFEDSA-N	-2	0	374.393	2.326	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n(CCC#N)n1	ZINC000738463194	600053930	/nfs/dbraw/zinc/05/39/30/600053930.db2.gz	CTOASFPQZZKKMK-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)sc1C(=O)[O-]	ZINC000738864727	600360524	/nfs/dbraw/zinc/36/05/24/600360524.db2.gz	ANMZGEUTFRWNQM-UHFFFAOYSA-N	-2	0	357.800	2.476	20	30		FEEDRL
C=CCNC(=O)C(C#N)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000825687214	602031551	/nfs/dbraw/zinc/03/15/51/602031551.db2.gz	DWBGHOWGFCWKAZ-NSHDSACASA-N	-2	0	355.272	2.420	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C#N	ZINC000832770852	604734938	/nfs/dbraw/zinc/73/49/38/604734938.db2.gz	KEESIRAHCAVGSK-UHFFFAOYSA-N	-2	0	364.408	2.107	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])ccc1C#N	ZINC000570660327	670748480	/nfs/dbraw/zinc/74/84/80/670748480.db2.gz	WQFUGMYEUSKIAJ-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC1(C)CC[C@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000551911454	674171905	/nfs/dbraw/zinc/17/19/05/674171905.db2.gz	FHEOSSSCOKCZBB-OAHLLOKOSA-N	-2	0	358.366	2.148	20	30		FEEDRL
C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)[O-]	ZINC000504673433	561661079	/nfs/dbraw/zinc/66/10/79/561661079.db2.gz	LZVSHWUKVWYXIC-JTQLQIEISA-N	-2	0	363.420	2.319	20	30		FEEDRL
Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C(=O)[O-]	ZINC000468615248	560934055	/nfs/dbraw/zinc/93/40/55/560934055.db2.gz	LNLPBIJQTVJYJP-UHFFFAOYSA-N	-2	0	362.411	2.452	20	30		FEEDRL
CCC(C)(C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736860314	599954506	/nfs/dbraw/zinc/95/45/06/599954506.db2.gz	ZLNUBHBUBLCBEK-UHFFFAOYSA-N	-2	0	371.393	2.257	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C#N	ZINC000738196127	600103884	/nfs/dbraw/zinc/10/38/84/600103884.db2.gz	NDRUZMXWXDBLMO-UHFFFAOYSA-N	-2	0	355.375	2.235	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(F)c1	ZINC000571868127	600544296	/nfs/dbraw/zinc/54/42/96/600544296.db2.gz	VVKMJXZLXOVZMY-UHFFFAOYSA-N	-2	0	364.354	2.352	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC000832152673	601204231	/nfs/dbraw/zinc/20/42/31/601204231.db2.gz	JQLQDJHQCDIUJT-UHFFFAOYSA-N	-2	0	368.392	2.136	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000760361043	602119240	/nfs/dbraw/zinc/11/92/40/602119240.db2.gz	JDAOEKAXRVZQDG-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cn1	ZINC000740321270	602646452	/nfs/dbraw/zinc/64/64/52/602646452.db2.gz	DJTHZZBMXBEOHF-UHFFFAOYSA-N	-2	0	358.379	2.185	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)C(C)(C)NC(=O)[O-])n1	ZINC000830655141	603776178	/nfs/dbraw/zinc/77/61/78/603776178.db2.gz	JCVDMGZFFYIYAB-SNVBAGLBSA-N	-2	0	367.427	2.243	20	30		FEEDRL
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(CNC(=O)[O-])o2)n1	ZINC000827355345	604242205	/nfs/dbraw/zinc/24/22/05/604242205.db2.gz	HXTHMGSXFMHBLL-SECBINFHSA-N	-2	0	363.351	2.170	20	30		FEEDRL
O=C([O-])C(C([O-])=Cn1c(=O)sc2ccccc21)c1nc2ccccc2[nH]1	ZINC000833163641	604747751	/nfs/dbraw/zinc/74/77/51/604747751.db2.gz	KVZONQITDUOMQG-UHFFFAOYSA-N	-2	0	367.386	2.466	20	30		FEEDRL
CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000547907590	673902527	/nfs/dbraw/zinc/90/25/27/673902527.db2.gz	XEKVBGRYMJIZSF-SNVBAGLBSA-N	-2	0	360.382	2.394	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c(F)c1	ZINC000548262232	673944505	/nfs/dbraw/zinc/94/45/05/673944505.db2.gz	JHZKIFIUQUKDBF-UHFFFAOYSA-N	-2	0	366.345	2.056	20	30		FEEDRL
C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548268225	673945827	/nfs/dbraw/zinc/94/58/27/673945827.db2.gz	IMDMVFNVJUDVLB-UWVGGRQHSA-N	-2	0	360.382	2.394	20	30		FEEDRL
C=C(C)C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000864453052	683855144	/nfs/dbraw/zinc/85/51/44/683855144.db2.gz	WDPMOUXGZPMKMK-JTQLQIEISA-N	-2	0	366.208	2.286	20	30		FEEDRL
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-]	ZINC000515050113	561993895	/nfs/dbraw/zinc/99/38/95/561993895.db2.gz	CKQTXRNWDBLXJY-SNVBAGLBSA-N	-2	0	363.420	2.319	20	30		FEEDRL
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000391648772	558614626	/nfs/dbraw/zinc/61/46/26/558614626.db2.gz	DDLGJCYHRAWFFP-UHFFFAOYSA-N	-2	0	366.420	2.163	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C#N	ZINC000427343300	559753773	/nfs/dbraw/zinc/75/37/73/559753773.db2.gz	AZLGTHMDYKXPBC-LLVKDONJSA-N	-2	0	359.407	2.326	20	30		FEEDRL
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1	ZINC000463527380	560818101	/nfs/dbraw/zinc/81/81/01/560818101.db2.gz	OTXRKDXXNFGFPA-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000736105683	599736246	/nfs/dbraw/zinc/73/62/46/599736246.db2.gz	FFJWROKCDJSQAY-UHFFFAOYSA-N	-2	0	365.367	2.086	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(NC(=O)[O-])c2)cc1	ZINC000737996113	600056813	/nfs/dbraw/zinc/05/68/13/600056813.db2.gz	ABGMSQPDKMVQON-MRXNPFEDSA-N	-2	0	367.361	2.424	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)cn1	ZINC000739129858	600104278	/nfs/dbraw/zinc/10/42/78/600104278.db2.gz	HXEGWBXKGJWRHJ-UHFFFAOYSA-N	-2	0	372.406	2.052	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000736089705	600900378	/nfs/dbraw/zinc/90/03/78/600900378.db2.gz	OXIIIAQFPJFUGT-UHFFFAOYSA-N	-2	0	365.338	2.042	20	30		FEEDRL
Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-]	ZINC000833053079	601783905	/nfs/dbraw/zinc/78/39/05/601783905.db2.gz	OUGQNKIMCKUCBR-UHFFFAOYSA-N	-2	0	373.312	2.415	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000762615379	601881027	/nfs/dbraw/zinc/88/10/27/601881027.db2.gz	JKEBEYJAGGTKII-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
N#CCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000833068718	601965288	/nfs/dbraw/zinc/96/52/88/601965288.db2.gz	AXHNPBDETCOTPP-UHFFFAOYSA-N	-2	0	351.771	2.300	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(F)c1	ZINC000614314379	601976480	/nfs/dbraw/zinc/97/64/80/601976480.db2.gz	DVZQARLGLUGACM-NSHDSACASA-N	-2	0	372.374	2.392	20	30		FEEDRL
Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1C(=O)[O-]	ZINC000833030121	602119866	/nfs/dbraw/zinc/11/98/66/602119866.db2.gz	RSAOKKOVZNNVLC-UHFFFAOYSA-N	-2	0	354.315	2.129	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000740106021	603368695	/nfs/dbraw/zinc/36/86/95/603368695.db2.gz	NLKWRQXBECNVNB-UHFFFAOYSA-N	-2	0	373.390	2.004	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1C#N	ZINC000829752945	603927539	/nfs/dbraw/zinc/92/75/39/603927539.db2.gz	CTJOXXRNEMVUIJ-ZDUSSCGKSA-N	-2	0	372.406	2.119	20	30		FEEDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC#N)c1	ZINC000321442958	673040535	/nfs/dbraw/zinc/04/05/35/673040535.db2.gz	WEBDEOQQOJZJOX-UHFFFAOYSA-N	-2	0	352.393	2.458	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000546707173	673812621	/nfs/dbraw/zinc/81/26/21/673812621.db2.gz	IQXARXFYARGZNC-UHFFFAOYSA-N	-2	0	363.351	2.290	20	30		FEEDRL
O=C([O-])CCOc1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1	ZINC000746678633	673889652	/nfs/dbraw/zinc/88/96/52/673889652.db2.gz	FXERTJQDHLFDKL-UHFFFAOYSA-N	-2	0	360.317	2.321	20	30		FEEDRL
CC(C)[C@](C)(C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749390896	680045592	/nfs/dbraw/zinc/04/55/92/680045592.db2.gz	FQXXSXJJHSORNC-JTQLQIEISA-N	-2	0	372.256	2.434	20	30		FEEDRL
O=C([N-]C[C@@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400715	680046655	/nfs/dbraw/zinc/04/66/55/680046655.db2.gz	OQQKNUQKEKFEEG-WDSKDSINSA-N	-2	0	370.240	2.188	20	30		FEEDRL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000837290777	680582141	/nfs/dbraw/zinc/58/21/41/680582141.db2.gz	DJQXOCQQSQRVJB-YFKPBYRVSA-N	-2	0	359.272	2.080	20	30		FEEDRL
CC1CCC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])CC1	ZINC000554538051	674322643	/nfs/dbraw/zinc/32/26/43/674322643.db2.gz	GXDXLOACXPYZIW-UHFFFAOYSA-N	-2	0	358.366	2.148	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1CCC#N	ZINC000504228727	561654685	/nfs/dbraw/zinc/65/46/85/561654685.db2.gz	AILFRTUQIPZQOA-UHFFFAOYSA-N	-2	0	362.411	2.221	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000438761522	559983263	/nfs/dbraw/zinc/98/32/63/559983263.db2.gz	BEEXDYJWYYSQEV-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
CCc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C(=O)[O-]	ZINC000440810052	560018613	/nfs/dbraw/zinc/01/86/13/560018613.db2.gz	QAYWQSFAUXHRQB-UHFFFAOYSA-N	-2	0	362.411	2.397	20	30		FEEDRL
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)ccc1C#N	ZINC000570118089	568452245	/nfs/dbraw/zinc/45/22/45/568452245.db2.gz	FUAVDEKUGIDZBG-UHFFFAOYSA-N	-2	0	360.347	2.064	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(=O)[O-])c2)cc1	ZINC000820836705	598148699	/nfs/dbraw/zinc/14/86/99/598148699.db2.gz	DTIRLKQJZXCQEK-MRXNPFEDSA-N	-2	0	352.346	2.032	20	30		FEEDRL
CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1	ZINC000736125308	599987457	/nfs/dbraw/zinc/98/74/57/599987457.db2.gz	HOJHBSWXLDHKMQ-INIZCTEOSA-N	-2	0	374.393	2.326	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736090268	600900580	/nfs/dbraw/zinc/90/05/80/600900580.db2.gz	YECYLMPCHPKMIZ-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1C(=O)[O-]	ZINC000833052679	601783700	/nfs/dbraw/zinc/78/37/00/601783700.db2.gz	GZZRGLVQXIYUKI-UHFFFAOYSA-N	-2	0	373.312	2.415	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](NC(=O)[O-])c2ccccc2)n1	ZINC000740206667	602890822	/nfs/dbraw/zinc/89/08/22/602890822.db2.gz	WFEABXNCWAJCKA-TZMCWYRMSA-N	-2	0	373.390	2.180	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1NC(=O)[O-]	ZINC000830230983	604210823	/nfs/dbraw/zinc/21/08/23/604210823.db2.gz	VMSJFUQINFQDMM-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
C[C@H]1CC[C@](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(CC(=O)[O-])C1	ZINC000547891248	673898729	/nfs/dbraw/zinc/89/87/29/673898729.db2.gz	SNNMPDALBUOLKG-MGPLVRAMSA-N	-2	0	372.393	2.396	20	30		FEEDRL
CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590032	673977206	/nfs/dbraw/zinc/97/72/06/673977206.db2.gz	NLSQRYITLNMSFO-RNCFNFMXSA-N	-2	0	360.382	2.394	20	30		FEEDRL
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000779847879	681760299	/nfs/dbraw/zinc/76/02/99/681760299.db2.gz	HECDUOVHSRLWFB-SNVBAGLBSA-N	-2	0	363.351	2.392	20	30		FEEDRL
C#CCCCCNS(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000871916017	684880387	/nfs/dbraw/zinc/88/03/87/684880387.db2.gz	HDAMKITXXSKIOF-UHFFFAOYSA-N	-2	0	366.258	2.291	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000481978538	561246756	/nfs/dbraw/zinc/24/67/56/561246756.db2.gz	IFHVYZWSEYLUHU-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nn1CCC#N	ZINC000270994745	550329335	/nfs/dbraw/zinc/32/93/35/550329335.db2.gz	ARIFKAKLJKEZDF-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1C#N	ZINC000324270528	553772146	/nfs/dbraw/zinc/77/21/46/553772146.db2.gz	NOVSDDINYKURRG-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
N#CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000509383459	561797263	/nfs/dbraw/zinc/79/72/63/561797263.db2.gz	IHPVHGFQBGFNDC-UHFFFAOYSA-N	-2	0	361.335	2.160	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1C#N	ZINC000521335750	562174532	/nfs/dbraw/zinc/17/45/32/562174532.db2.gz	WEIITGZSTZVGRL-UHFFFAOYSA-N	-2	0	359.407	2.470	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C#N	ZINC000391811684	558615127	/nfs/dbraw/zinc/61/51/27/558615127.db2.gz	JYKSYRXDJDVROM-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(Cl)c1	ZINC000436695014	559949030	/nfs/dbraw/zinc/94/90/30/559949030.db2.gz	CPNYKALUVWYSOT-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1	ZINC000436708858	559949661	/nfs/dbraw/zinc/94/96/61/559949661.db2.gz	WBASQBNSYMCXGD-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(F)c1	ZINC000833069888	601863518	/nfs/dbraw/zinc/86/35/18/601863518.db2.gz	YYQLQYBPVMADIA-UHFFFAOYSA-N	-2	0	367.333	2.405	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1C#N	ZINC000740020398	602593263	/nfs/dbraw/zinc/59/32/63/602593263.db2.gz	DKMIQEGBWRFKAW-UHFFFAOYSA-N	-2	0	358.379	2.401	20	30		FEEDRL
CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000739443863	602653877	/nfs/dbraw/zinc/65/38/77/602653877.db2.gz	FPQHHWJVXDYBEK-UHFFFAOYSA-N	-2	0	360.395	2.254	20	30		FEEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833747602	605327799	/nfs/dbraw/zinc/32/77/99/605327799.db2.gz	ZPZSINLUSOOOJS-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(C(=O)[O-])cs2)o1	ZINC000824141055	607887242	/nfs/dbraw/zinc/88/72/42/607887242.db2.gz	BSIWUQACVDGOLB-UHFFFAOYSA-N	-2	0	361.387	2.358	20	30		FEEDRL
N#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000325864615	673051018	/nfs/dbraw/zinc/05/10/18/673051018.db2.gz	ZEJRSQOWWXWLGX-UHFFFAOYSA-N	-2	0	350.327	2.227	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619463474	676377808	/nfs/dbraw/zinc/37/78/08/676377808.db2.gz	FVJMFDLQYQVXKY-UHFFFAOYSA-N	-2	0	364.354	2.399	20	30		FEEDRL
Cn1c(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2[n-]c1=S	ZINC000748410556	679960722	/nfs/dbraw/zinc/96/07/22/679960722.db2.gz	LNJOXESPRDQENJ-UHFFFAOYSA-N	-2	0	352.375	2.052	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000756358457	680474313	/nfs/dbraw/zinc/47/43/13/680474313.db2.gz	MCEPBBPAJUISIA-UHFFFAOYSA-N	-2	0	362.367	2.039	20	30		FEEDRL
O=C([N-][C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000855081258	682628122	/nfs/dbraw/zinc/62/81/22/682628122.db2.gz	DLHXPZZPDKCLOG-WDSKDSINSA-N	-2	0	370.240	2.331	20	30		FEEDRL
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000154023288	544854050	/nfs/dbraw/zinc/85/40/50/544854050.db2.gz	UCMOXUNHPRVTMK-UHFFFAOYSA-N	-2	0	356.338	2.049	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000322445329	553768610	/nfs/dbraw/zinc/76/86/10/553768610.db2.gz	CBUIXYMAHUAQTP-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C	ZINC000431185487	559835598	/nfs/dbraw/zinc/83/55/98/559835598.db2.gz	ZWUGREZGWKCGCB-UHFFFAOYSA-N	-2	0	360.391	2.303	20	30		FEEDRL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1	ZINC000736095336	599812961	/nfs/dbraw/zinc/81/29/61/599812961.db2.gz	QMIQTDWLSUFRMU-UHFFFAOYSA-N	-2	0	365.388	2.015	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000739130974	600122323	/nfs/dbraw/zinc/12/23/23/600122323.db2.gz	YWRWAFNZFWMEFY-UHFFFAOYSA-N	-2	0	364.766	2.029	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1C#N	ZINC000738195582	600173546	/nfs/dbraw/zinc/17/35/46/600173546.db2.gz	LQYSYXMDQXFWSM-AWEZNQCLSA-N	-2	0	371.418	2.287	20	30		FEEDRL
O=C([O-])c1cccc(C#Cc2cccc([N-]S(=O)(=O)c3c[nH]cn3)c2)c1	ZINC000740212588	600255776	/nfs/dbraw/zinc/25/57/76/600255776.db2.gz	LXKRATSNJUSUGK-UHFFFAOYSA-N	-2	0	367.386	2.309	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1	ZINC000738426317	600360070	/nfs/dbraw/zinc/36/00/70/600360070.db2.gz	XULLGHGGMWNXRK-UHFFFAOYSA-N	-2	0	357.800	2.096	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(CCC#N)n1	ZINC000832900059	601329399	/nfs/dbraw/zinc/32/93/99/601329399.db2.gz	ZWQPCMMSFAJEPH-YVMONPNESA-N	-2	0	360.395	2.004	20	30		FEEDRL
N#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1	ZINC000833067163	601835747	/nfs/dbraw/zinc/83/57/47/601835747.db2.gz	ATSBSUKVJSIJJS-UHFFFAOYSA-N	-2	0	367.770	2.136	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1NC(=O)[O-]	ZINC000830230840	604248942	/nfs/dbraw/zinc/24/89/42/604248942.db2.gz	SRPMKWWARLCROY-UHFFFAOYSA-N	-2	0	373.390	2.216	20	30		FEEDRL
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(CC(=O)[O-])C1	ZINC000547891249	673898635	/nfs/dbraw/zinc/89/86/35/673898635.db2.gz	SNNMPDALBUOLKG-QFYYESIMSA-N	-2	0	372.393	2.396	20	30		FEEDRL
N#CC1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])CCCC1	ZINC000548557770	673971644	/nfs/dbraw/zinc/97/16/44/673971644.db2.gz	RXQNOKQMRJZLPY-UHFFFAOYSA-N	-2	0	353.356	2.119	20	30		FEEDRL
COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000567180154	675273673	/nfs/dbraw/zinc/27/36/73/675273673.db2.gz	ZXRIDZDBPVGNRD-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
O=C([N-]C1CC(F)(F)C1)C(F)(F)C(F)(F)C(=O)[N-]C1CC(F)(F)C1	ZINC000760653865	680696592	/nfs/dbraw/zinc/69/65/92/680696592.db2.gz	JAJDKRZIGNQQNI-UHFFFAOYSA-N	-2	0	368.224	2.085	20	30		FEEDRL
CC(C)[C@@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749388457	680045603	/nfs/dbraw/zinc/04/56/03/680045603.db2.gz	WNKKPMDLEWQKEB-RXMQYKEDSA-N	-2	0	358.229	2.044	20	30		FEEDRL
Cn1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n1	ZINC000277979453	550735222	/nfs/dbraw/zinc/73/52/22/550735222.db2.gz	BYAMURYTAOAXCE-UHFFFAOYSA-N	-2	0	368.440	2.150	20	30		FEEDRL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000499263870	561547169	/nfs/dbraw/zinc/54/71/69/561547169.db2.gz	LQGUTQZWVJSFQR-UHFFFAOYSA-N	-2	0	365.371	2.059	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1	ZINC000530714264	562421629	/nfs/dbraw/zinc/42/16/29/562421629.db2.gz	CUPVXZQUFZCKOJ-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000832152382	601327795	/nfs/dbraw/zinc/32/77/95/601327795.db2.gz	BTTXFWRRWFSTOB-UITAMQMPSA-N	-2	0	358.375	2.465	20	30		FEEDRL
N#Cc1cc(F)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c(F)c1	ZINC000833068544	601681221	/nfs/dbraw/zinc/68/12/21/601681221.db2.gz	BGNFTATYKKFQJL-UHFFFAOYSA-N	-2	0	352.322	2.348	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)c(F)c1	ZINC000760100024	601976450	/nfs/dbraw/zinc/97/64/50/601976450.db2.gz	OKMYVTRQMIHULN-CQSZACIVSA-N	-2	0	366.345	2.331	20	30		FEEDRL
C[C@H](Oc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1)C(=O)[O-]	ZINC000794866128	602067953	/nfs/dbraw/zinc/06/79/53/602067953.db2.gz	VXTXQNYYCGMWPB-ZETCQYMHSA-N	-2	0	360.317	2.320	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000760365279	602119028	/nfs/dbraw/zinc/11/90/28/602119028.db2.gz	SUWUJMHEBJNABX-UHFFFAOYSA-N	-2	0	356.356	2.289	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC(=O)[O-])c2ccccc2)n1	ZINC000740206665	602935304	/nfs/dbraw/zinc/93/53/04/602935304.db2.gz	WFEABXNCWAJCKA-OCCSQVGLSA-N	-2	0	373.390	2.180	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000832318666	604881148	/nfs/dbraw/zinc/88/11/48/604881148.db2.gz	HQJQRMPVQLDKNW-OAHLLOKOSA-N	-2	0	370.336	2.171	20	30		FEEDRL
C[C@H](Oc1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1)C(=O)[O-]	ZINC000746678697	673889529	/nfs/dbraw/zinc/88/95/29/673889529.db2.gz	GYANPMJLMAQWBC-ZETCQYMHSA-N	-2	0	360.317	2.320	20	30		FEEDRL
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000479336771	561187767	/nfs/dbraw/zinc/18/77/67/561187767.db2.gz	WWPVRQHJQUVARW-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000464837184	560852926	/nfs/dbraw/zinc/85/29/26/560852926.db2.gz	TTYPVQCDTVQUKD-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC000469316626	560952291	/nfs/dbraw/zinc/95/22/91/560952291.db2.gz	CMRLAMREBPTWFI-UHFFFAOYSA-N	-2	0	368.802	2.488	20	30		FEEDRL
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1	ZINC000730996689	601331265	/nfs/dbraw/zinc/33/12/65/601331265.db2.gz	YNXXWDZTMJQVAX-UHFFFAOYSA-N	-2	0	361.375	2.206	20	30		FEEDRL
CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)cc1	ZINC000739540583	602727858	/nfs/dbraw/zinc/72/78/58/602727858.db2.gz	CKEDXNDPNHADDS-LBPRGKRZSA-N	-2	0	372.406	2.434	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1NC(=O)[O-]	ZINC000830230980	604211133	/nfs/dbraw/zinc/21/11/33/604211133.db2.gz	VLICNGRUBZUQTG-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1	ZINC000833760006	604689275	/nfs/dbraw/zinc/68/92/75/604689275.db2.gz	DTABNQZMIQGRNI-UHFFFAOYSA-N	-2	0	361.379	2.263	20	30		FEEDRL
O=C([O-])C(C([O-])=CSc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1	ZINC000833164697	604793154	/nfs/dbraw/zinc/79/31/54/604793154.db2.gz	VULFBBSZUKEFBF-UHFFFAOYSA-N	-2	0	372.362	2.485	20	30		FEEDRL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823893887	675575755	/nfs/dbraw/zinc/57/57/55/675575755.db2.gz	AOLWQOWKZYPKHN-SECBINFHSA-N	-2	0	357.386	2.168	20	30		FEEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1Cl	ZINC000753778591	680314020	/nfs/dbraw/zinc/31/40/20/680314020.db2.gz	FXIOYQWFOIFXJA-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
O=C([N-][C@H]1CC[C@H]([N-]C(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F	ZINC000754243327	680344998	/nfs/dbraw/zinc/34/49/98/680344998.db2.gz	RTSKRWJWWXOXOA-IZLXSQMJSA-N	-2	0	370.240	2.331	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nn1CCC#N	ZINC000768052894	680936241	/nfs/dbraw/zinc/93/62/41/680936241.db2.gz	GHRUQJIXNBTINH-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)ccc1Cl	ZINC000467751125	560916412	/nfs/dbraw/zinc/91/64/12/560916412.db2.gz	FEFNXBYPEYWKPU-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000468617256	560934060	/nfs/dbraw/zinc/93/40/60/560934060.db2.gz	GXYUYNTUJFYLFA-UHFFFAOYSA-N	-2	0	362.411	2.397	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c([N+](=O)[O-])c1	ZINC000533629418	562514820	/nfs/dbraw/zinc/51/48/20/562514820.db2.gz	OQLCTDOIMDZKDD-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C#N)cc3)nc2n1	ZINC000738345721	600102332	/nfs/dbraw/zinc/10/23/32/600102332.db2.gz	IZFBJZUAJGYAQO-UHFFFAOYSA-N	-2	0	374.403	2.370	20	30		FEEDRL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1	ZINC000823391758	607460821	/nfs/dbraw/zinc/46/08/21/607460821.db2.gz	DJLMVJLJLOJEBQ-HWKANZROSA-N	-2	0	354.297	2.306	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000741657352	600684739	/nfs/dbraw/zinc/68/47/39/600684739.db2.gz	OJFIDHNFGYNYKU-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)sc1SCC#N	ZINC000833002496	601229839	/nfs/dbraw/zinc/22/98/39/601229839.db2.gz	AOBSNBAHVUKRHW-UHFFFAOYSA-N	-2	0	373.437	2.468	20	30		FEEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)[nH]1	ZINC000833095778	601331064	/nfs/dbraw/zinc/33/10/64/601331064.db2.gz	XVBNJNYMEQCHCY-ZZXKWVIFSA-N	-2	0	356.378	2.147	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CCN(C(=O)[O-])C2	ZINC000740321425	603182907	/nfs/dbraw/zinc/18/29/07/603182907.db2.gz	AAHWMZDRRBIRFI-UHFFFAOYSA-N	-2	0	357.391	2.395	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833366719	604744870	/nfs/dbraw/zinc/74/48/70/604744870.db2.gz	GUTSCUPVLYJZNT-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C#N)cc1F	ZINC000831945909	604806659	/nfs/dbraw/zinc/80/66/59/604806659.db2.gz	MCAAVTCPMZQOAV-UHFFFAOYSA-N	-2	0	356.356	2.266	20	30		FEEDRL
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1	ZINC000833377056	605202528	/nfs/dbraw/zinc/20/25/28/605202528.db2.gz	ZNVGKQXQAAIPDT-UHFFFAOYSA-N	-2	0	366.420	2.163	20	30		FEEDRL
COc1cc(OC)c([N-]S(=O)(=O)CC2(C#N)CCCC2)c(C(=O)[O-])c1	ZINC000575466236	671314001	/nfs/dbraw/zinc/31/40/01/671314001.db2.gz	DNKWRVAHRGRBQW-UHFFFAOYSA-N	-2	0	368.411	2.228	20	30		FEEDRL
CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000578208778	671648983	/nfs/dbraw/zinc/64/89/83/671648983.db2.gz	VYOVNIAZNQNRAH-UHFFFAOYSA-N	-2	0	351.409	2.185	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000546707663	673812494	/nfs/dbraw/zinc/81/24/94/673812494.db2.gz	TZQQNOWSUVMQTO-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000548836392	674000141	/nfs/dbraw/zinc/00/01/41/674000141.db2.gz	CXXQWRAWIMDZRZ-PSLIRLAXSA-N	-2	0	358.366	2.148	20	30		FEEDRL
O=C([O-])c1ccc(N=NCc2ccc(OC(F)(F)C(=O)[O-])cc2)nc1	ZINC000763370237	680781458	/nfs/dbraw/zinc/78/14/58/680781458.db2.gz	OGDLGROLZQDNLW-UHFFFAOYSA-N	-2	0	351.265	2.282	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000766063701	680865081	/nfs/dbraw/zinc/86/50/81/680865081.db2.gz	ZRYLPCWBNPHUDI-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1	ZINC000321244584	553766350	/nfs/dbraw/zinc/76/63/50/553766350.db2.gz	JIFZAZZKROOABR-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1C#N	ZINC000324485687	553772421	/nfs/dbraw/zinc/77/24/21/553772421.db2.gz	CRUBZWBMZYYQFU-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(F)c1	ZINC000427302396	559752822	/nfs/dbraw/zinc/75/28/22/559752822.db2.gz	PSLAHOPTCWMPQY-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000736088858	600236433	/nfs/dbraw/zinc/23/64/33/600236433.db2.gz	FMBNVSOOEZIIIR-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000736075678	600899591	/nfs/dbraw/zinc/89/95/91/600899591.db2.gz	AWLUOSBQAFSKSI-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000736090066	600900405	/nfs/dbraw/zinc/90/04/05/600900405.db2.gz	TZHQCLCAMLYXPV-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
N#CCCCOc1cccnc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000833065858	600981372	/nfs/dbraw/zinc/98/13/72/600981372.db2.gz	NSZRALVFGQVFHH-UHFFFAOYSA-N	-2	0	367.408	2.325	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1C#N	ZINC000738197141	603482491	/nfs/dbraw/zinc/48/24/91/603482491.db2.gz	YVJIOVAEWIIEGO-UHFFFAOYSA-N	-2	0	372.406	2.443	20	30		FEEDRL
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000594847971	673161713	/nfs/dbraw/zinc/16/17/13/673161713.db2.gz	DKFGNFRXXOUTQU-MFKMUULPSA-N	-2	0	372.393	2.394	20	30		FEEDRL
C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548541107	673968127	/nfs/dbraw/zinc/96/81/27/673968127.db2.gz	IBCQXEFCVLXPMG-IUODEOHRSA-N	-2	0	358.366	2.148	20	30		FEEDRL
CCC[C@@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749365104	680043555	/nfs/dbraw/zinc/04/35/55/680043555.db2.gz	OMIFHIKPYWKEBD-YFKPBYRVSA-N	-2	0	358.229	2.188	20	30		FEEDRL
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1	ZINC000756939079	680505782	/nfs/dbraw/zinc/50/57/82/680505782.db2.gz	PXPKAMMICDAEOX-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000775298193	681294818	/nfs/dbraw/zinc/29/48/18/681294818.db2.gz	KYSXGKYKIVSDNS-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(F)c1	ZINC000128818275	544074469	/nfs/dbraw/zinc/07/44/69/544074469.db2.gz	VUWXUHRTGLQQQW-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000489741683	561418134	/nfs/dbraw/zinc/41/81/34/561418134.db2.gz	HKDUWSGHBTWMNT-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C#N	ZINC000269389177	550189638	/nfs/dbraw/zinc/18/96/38/550189638.db2.gz	ROUMSZPPUNFYDP-UHFFFAOYSA-N	-2	0	363.395	2.183	20	30		FEEDRL
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000324225507	553771541	/nfs/dbraw/zinc/77/15/41/553771541.db2.gz	SWOJJBYDNNWEOK-UHFFFAOYSA-N	-2	0	366.420	2.163	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000326912861	553784581	/nfs/dbraw/zinc/78/45/81/553784581.db2.gz	GKTWIWKNPZFOJG-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
N#CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000471128145	560998906	/nfs/dbraw/zinc/99/89/06/560998906.db2.gz	AHNOXMVURPOSGB-UHFFFAOYSA-N	-2	0	361.335	2.160	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000535895676	562570438	/nfs/dbraw/zinc/57/04/38/562570438.db2.gz	ZYZFVLGQLQPECK-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(F)c1	ZINC000819096072	596977202	/nfs/dbraw/zinc/97/72/02/596977202.db2.gz	WVIIPMSBSYEEST-UHFFFAOYSA-N	-2	0	352.318	2.264	20	30		FEEDRL
N#CCn1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1	ZINC000739092810	600053040	/nfs/dbraw/zinc/05/30/40/600053040.db2.gz	KRQRPYDFVICJPX-UHFFFAOYSA-N	-2	0	362.392	2.120	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C(=O)[O-])cc1	ZINC000828134064	600782173	/nfs/dbraw/zinc/78/21/73/600782173.db2.gz	CMFDCOCFQYSPQU-OAHLLOKOSA-N	-2	0	367.317	2.479	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000760360813	602119276	/nfs/dbraw/zinc/11/92/76/602119276.db2.gz	GYJLHPRVFPKPNI-UHFFFAOYSA-N	-2	0	350.327	2.227	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833067707	602119563	/nfs/dbraw/zinc/11/95/63/602119563.db2.gz	HUZSHZWJZDIVAI-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1	ZINC000833452634	605011654	/nfs/dbraw/zinc/01/16/54/605011654.db2.gz	DBFYDMRDWFXKGG-UHFFFAOYSA-N	-2	0	362.411	2.150	20	30		FEEDRL
CC(C)(C)n1ncc2c1nc(N=NCC1CCN(C(=O)[O-])CC1)[n-]c2=O	ZINC000823875887	605170491	/nfs/dbraw/zinc/17/04/91/605170491.db2.gz	HMRLVQIMZQNLAB-UHFFFAOYSA-N	-2	0	361.406	2.075	20	30		FEEDRL
CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000819965453	606202744	/nfs/dbraw/zinc/20/27/44/606202744.db2.gz	HKLIFTNQNVWGKG-UHFFFAOYSA-N	-2	0	372.345	2.212	20	30		FEEDRL
CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1cc(C(=O)[O-])ccc1F	ZINC000825027998	607930988	/nfs/dbraw/zinc/93/09/88/607930988.db2.gz	BTLUUDXXFVZNRW-UHFFFAOYSA-N	-2	0	359.321	2.227	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1	ZINC000588316558	672462340	/nfs/dbraw/zinc/46/23/40/672462340.db2.gz	LMKKDANMTIUUSN-LBPRGKRZSA-N	-2	0	374.296	2.274	20	30		FEEDRL
C[C@@H](Oc1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1)C(=O)[O-]	ZINC000746678696	673889664	/nfs/dbraw/zinc/88/96/64/673889664.db2.gz	GYANPMJLMAQWBC-SSDOTTSWSA-N	-2	0	360.317	2.320	20	30		FEEDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CC2(C#N)CCCC2)c1OC	ZINC000548268081	673945673	/nfs/dbraw/zinc/94/56/73/673945673.db2.gz	VRZWMJUEZHKNRM-UHFFFAOYSA-N	-2	0	368.411	2.228	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000775295342	681294306	/nfs/dbraw/zinc/29/43/06/681294306.db2.gz	GPHJYRCKVJTMBY-UHFFFAOYSA-N	-2	0	362.363	2.422	20	30		FEEDRL
C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000775298362	681294545	/nfs/dbraw/zinc/29/45/45/681294545.db2.gz	RFLJYNQJJCYQKM-UHFFFAOYSA-N	-2	0	361.375	2.212	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC000793401592	682886943	/nfs/dbraw/zinc/88/69/43/682886943.db2.gz	RZGRZSXNOCZDOW-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000261727959	549748876	/nfs/dbraw/zinc/74/88/76/549748876.db2.gz	SDEHAEZTNGGIQJ-NSHDSACASA-N	-2	0	364.345	2.355	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000328274301	553793690	/nfs/dbraw/zinc/79/36/90/553793690.db2.gz	GCOGCTUGRJEORM-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1C	ZINC000532090459	562466713	/nfs/dbraw/zinc/46/67/13/562466713.db2.gz	VZOURMOCYADEEB-UHFFFAOYSA-N	-2	0	362.411	2.452	20	30		FEEDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000532406558	562476736	/nfs/dbraw/zinc/47/67/36/562476736.db2.gz	YKNISGDEGCOERN-UHFFFAOYSA-N	-2	0	365.436	2.493	20	30		FEEDRL
CCC/C=C/C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736976254	600273400	/nfs/dbraw/zinc/27/34/00/600273400.db2.gz	XTUHACPNRPAJDU-SNAWJCMRSA-N	-2	0	369.377	2.177	20	30		FEEDRL
COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000542733354	600544668	/nfs/dbraw/zinc/54/46/68/600544668.db2.gz	HZOSLUXCERKJOK-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1	ZINC000833068807	601384697	/nfs/dbraw/zinc/38/46/97/601384697.db2.gz	DUQZSNGPECWVID-UHFFFAOYSA-N	-2	0	351.771	2.300	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NCC2(NC(=O)[O-])CCCCC2)cc1C#N	ZINC000740020452	602032005	/nfs/dbraw/zinc/03/20/05/602032005.db2.gz	GBQOAKNXMNTDEJ-UHFFFAOYSA-N	-2	0	364.427	2.081	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-]	ZINC000833747520	604783871	/nfs/dbraw/zinc/78/38/71/604783871.db2.gz	SSLPDQLLNDZBTI-UHFFFAOYSA-N	-2	0	372.402	2.003	20	30		FEEDRL
CCCn1c(C)nnc1SC=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000833652483	604904997	/nfs/dbraw/zinc/90/49/97/604904997.db2.gz	JHDFVFNIFBDDFR-UHFFFAOYSA-N	-2	0	373.438	2.492	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833376811	605184631	/nfs/dbraw/zinc/18/46/31/605184631.db2.gz	RCZOQDBHHJICBE-UHFFFAOYSA-N	-2	0	374.418	2.410	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000829961800	605420905	/nfs/dbraw/zinc/42/09/05/605420905.db2.gz	LZHZFEOMMMULRY-UHFFFAOYSA-N	-2	0	373.390	2.384	20	30		FEEDRL
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000547869568	673895070	/nfs/dbraw/zinc/89/50/70/673895070.db2.gz	FMYBBMVXJYMXMO-UHFFFAOYSA-N	-2	0	360.347	2.064	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)c(F)c1	ZINC000548241484	673940701	/nfs/dbraw/zinc/94/07/01/673940701.db2.gz	CDRLTAODPBPIAG-ZDUSSCGKSA-N	-2	0	370.308	2.080	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nn1CCC#N	ZINC000271059125	550336038	/nfs/dbraw/zinc/33/60/38/550336038.db2.gz	KKLSCIVUSXIWCH-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000507985391	561747974	/nfs/dbraw/zinc/74/79/74/561747974.db2.gz	OEBOPHYFBJMTQP-UHFFFAOYSA-N	-2	0	361.379	2.108	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000463511815	560817634	/nfs/dbraw/zinc/81/76/34/560817634.db2.gz	HYYCKKBHYCDVTN-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000469083614	560946825	/nfs/dbraw/zinc/94/68/25/560946825.db2.gz	XRMMKXUACDPVMJ-UHFFFAOYSA-N	-2	0	361.379	2.195	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000532843658	562490330	/nfs/dbraw/zinc/49/03/30/562490330.db2.gz	JDLOAIJZMZYFJZ-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(CCC#N)n1	ZINC000832900057	601329360	/nfs/dbraw/zinc/32/93/60/601329360.db2.gz	ZWQPCMMSFAJEPH-VMPITWQZSA-N	-2	0	360.395	2.004	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000737493723	601332546	/nfs/dbraw/zinc/33/25/46/601332546.db2.gz	JLUXUHCLENLXLQ-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1CCCCC(=O)[O-]	ZINC000828134279	601376322	/nfs/dbraw/zinc/37/63/22/601376322.db2.gz	FOIUNODNVVYMCU-CQSZACIVSA-N	-2	0	363.395	2.300	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1F	ZINC000833069629	601841240	/nfs/dbraw/zinc/84/12/40/601841240.db2.gz	JEYIIQPTYWKFLP-UHFFFAOYSA-N	-2	0	355.734	2.245	20	30		FEEDRL
N#CCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000833068973	601964880	/nfs/dbraw/zinc/96/48/80/601964880.db2.gz	JKEBTFMSCUSQPB-UHFFFAOYSA-N	-2	0	351.771	2.300	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1	ZINC000832988829	604845055	/nfs/dbraw/zinc/84/50/55/604845055.db2.gz	JJPLQLKDPKFWDT-JTQLQIEISA-N	-2	0	361.379	2.128	20	30		FEEDRL
CC[C@@H](OC(=O)CSc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000833646091	605010049	/nfs/dbraw/zinc/01/00/49/605010049.db2.gz	SRQCXTNTECIHGX-MRVPVSSYSA-N	-2	0	364.301	2.176	20	30		FEEDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610156175	675957770	/nfs/dbraw/zinc/95/77/70/675957770.db2.gz	DKGVOZWSAFASHL-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548541105	673968117	/nfs/dbraw/zinc/96/81/17/673968117.db2.gz	IBCQXEFCVLXPMG-DOMZBBRYSA-N	-2	0	358.366	2.148	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(F)c1	ZINC000757654862	680530356	/nfs/dbraw/zinc/53/03/56/680530356.db2.gz	HLEIQSJXLTXMIB-UHFFFAOYSA-N	-2	0	354.290	2.041	20	30		FEEDRL
CC(C)(C)[C@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000799060034	683418159	/nfs/dbraw/zinc/41/81/59/683418159.db2.gz	ZPYBJKKCVXGFCP-YFKPBYRVSA-N	-2	0	372.256	2.434	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000477429159	561144715	/nfs/dbraw/zinc/14/47/15/561144715.db2.gz	QNROBRKECGWJBV-UHFFFAOYSA-N	-2	0	374.418	2.410	20	30		FEEDRL
CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000485057231	561311623	/nfs/dbraw/zinc/31/16/23/561311623.db2.gz	QNRRWHILKTYESI-LBPRGKRZSA-N	-2	0	360.382	2.394	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1CCC#N	ZINC000504230915	561654712	/nfs/dbraw/zinc/65/47/12/561654712.db2.gz	WTBAKICWRTWHAU-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
C=CCN1C(=O)N[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736107547	599983391	/nfs/dbraw/zinc/98/33/91/599983391.db2.gz	YDLYMTZRHLLETI-NHYWBVRUSA-N	-2	0	360.366	2.149	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000736089406	600900371	/nfs/dbraw/zinc/90/03/71/600900371.db2.gz	KNUZQIXEPATLPP-UHFFFAOYSA-N	-2	0	363.366	2.266	20	30		FEEDRL
Cn1cc(C#N)c([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1	ZINC000833040594	601488163	/nfs/dbraw/zinc/48/81/63/601488163.db2.gz	MYYHRNBKIQLWTH-UHFFFAOYSA-N	-2	0	362.392	2.005	20	30		FEEDRL
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832910677	601839068	/nfs/dbraw/zinc/83/90/68/601839068.db2.gz	ZSFWYIMXSGNSBH-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(F)c1	ZINC000833069762	601858410	/nfs/dbraw/zinc/85/84/10/601858410.db2.gz	PTPNNLBKYCKLOE-UHFFFAOYSA-N	-2	0	368.317	2.101	20	30		FEEDRL
N#CCc1ccnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000833069407	601965198	/nfs/dbraw/zinc/96/51/98/601965198.db2.gz	WSGHZRKGKZHRHA-UHFFFAOYSA-N	-2	0	351.771	2.300	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000760361437	602118958	/nfs/dbraw/zinc/11/89/58/602118958.db2.gz	XDMRNCCOLMDGLH-UHFFFAOYSA-N	-2	0	356.356	2.289	20	30		FEEDRL
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)ccc1NC(=O)[O-]	ZINC000829962049	605346694	/nfs/dbraw/zinc/34/66/94/605346694.db2.gz	SVSHSEQLHSKUJH-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000574127399	671204971	/nfs/dbraw/zinc/20/49/71/671204971.db2.gz	CUBPAKMUYPUZJH-UHFFFAOYSA-N	-2	0	371.296	2.471	20	30		FEEDRL
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000725860153	673094795	/nfs/dbraw/zinc/09/47/95/673094795.db2.gz	XGESOLCHLAVVHU-UHFFFAOYSA-N	-2	0	355.375	2.031	20	30		FEEDRL
C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548268227	673945884	/nfs/dbraw/zinc/94/58/84/673945884.db2.gz	IMDMVFNVJUDVLB-ZJUUUORDSA-N	-2	0	360.382	2.394	20	30		FEEDRL
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000773248596	681132920	/nfs/dbraw/zinc/13/29/20/681132920.db2.gz	CEPLVOVOPSPGCQ-UHFFFAOYSA-N	-2	0	368.440	2.265	20	30		FEEDRL
Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000863958875	683793230	/nfs/dbraw/zinc/79/32/30/683793230.db2.gz	MFTIZLKJCHQLKH-UHFFFAOYSA-N	-2	0	364.423	2.227	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)s1	ZINC000504508955	561659167	/nfs/dbraw/zinc/65/91/67/561659167.db2.gz	ZPUNXOJUSISPSP-UHFFFAOYSA-N	-2	0	352.393	2.274	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F	ZINC000432197799	559854027	/nfs/dbraw/zinc/85/40/27/559854027.db2.gz	FSOJALGJPDCHET-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000435498818	559924164	/nfs/dbraw/zinc/92/41/64/559924164.db2.gz	ABBXXLZTRZWVAB-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C(=O)[O-])c1	ZINC000471127646	560998797	/nfs/dbraw/zinc/99/87/97/560998797.db2.gz	QKLDGZJKLFCDCB-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000738428750	600103864	/nfs/dbraw/zinc/10/38/64/600103864.db2.gz	SDXLFXCUBWZVQE-UHFFFAOYSA-N	-2	0	361.379	2.263	20	30		FEEDRL
CCC[C@@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000829208304	600943593	/nfs/dbraw/zinc/94/35/93/600943593.db2.gz	JYPYZLZQLHVZKX-GFCCVEGCSA-N	-2	0	371.393	2.257	20	30		FEEDRL
C[C@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC[C@@H]1C(=O)[O-]	ZINC000833569570	604808359	/nfs/dbraw/zinc/80/83/59/604808359.db2.gz	MZVRQXWQZCUHRY-BMIGLBTASA-N	-2	0	358.366	2.148	20	30		FEEDRL
C[C@]1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC[C@H]1C(=O)[O-]	ZINC000833569571	604808393	/nfs/dbraw/zinc/80/83/93/604808393.db2.gz	MZVRQXWQZCUHRY-BONVTDFDSA-N	-2	0	358.366	2.148	20	30		FEEDRL
O=C([O-])COc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1	ZINC000733203709	673403137	/nfs/dbraw/zinc/40/31/37/673403137.db2.gz	WZFIALWNJVVFAK-UHFFFAOYSA-N	-2	0	355.375	2.031	20	30		FEEDRL
N#CCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1	ZINC000735460141	673493791	/nfs/dbraw/zinc/49/37/91/673493791.db2.gz	PHFQODBJWDFCSD-UHFFFAOYSA-N	-2	0	372.765	2.088	20	30		FEEDRL
CC(C)[C@@](C)(C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749390897	680046140	/nfs/dbraw/zinc/04/61/40/680046140.db2.gz	FQXXSXJJHSORNC-SNVBAGLBSA-N	-2	0	372.256	2.434	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Cl	ZINC000321689333	553766923	/nfs/dbraw/zinc/76/69/23/553766923.db2.gz	UCMLUVFQBYWPAY-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000326602064	553781946	/nfs/dbraw/zinc/78/19/46/553781946.db2.gz	GMNYNDQHOJIRTB-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1	ZINC000392858075	558619704	/nfs/dbraw/zinc/61/97/04/558619704.db2.gz	CAZPTMHPXZLBAU-UHFFFAOYSA-N	-2	0	364.379	2.003	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1	ZINC000475747259	561104398	/nfs/dbraw/zinc/10/43/98/561104398.db2.gz	INSMYOCQFXKGLZ-UHFFFAOYSA-N	-2	0	351.409	2.185	20	30		FEEDRL
COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(C(=O)[O-])c2)cc1	ZINC000820832261	598148770	/nfs/dbraw/zinc/14/87/70/598148770.db2.gz	IPIZZZIBJJQLRX-KRWDZBQOSA-N	-2	0	366.373	2.075	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])ccc1F	ZINC000739098879	599850965	/nfs/dbraw/zinc/85/09/65/599850965.db2.gz	JEMQEIXMDFZKHC-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000739072112	600104289	/nfs/dbraw/zinc/10/42/89/600104289.db2.gz	GNAGLWXMEPMNSP-UHFFFAOYSA-N	-2	0	367.408	2.325	20	30		FEEDRL
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1	ZINC000825687803	601232597	/nfs/dbraw/zinc/23/25/97/601232597.db2.gz	XVYJYGVJJMUAQP-UHFFFAOYSA-N	-2	0	364.379	2.003	20	30		FEEDRL
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc(C)c1OCC(=O)[O-]	ZINC000832858779	601499954	/nfs/dbraw/zinc/49/99/54/601499954.db2.gz	FYCOVLVUMMCIRI-OAHLLOKOSA-N	-2	0	358.394	2.148	20	30		FEEDRL
Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1C(=O)[O-]	ZINC000756359171	601881067	/nfs/dbraw/zinc/88/10/67/601881067.db2.gz	OVEUEGKBHAJBGB-UHFFFAOYSA-N	-2	0	359.407	2.432	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2NC(=O)[O-])OCO3)cc1	ZINC000831141779	603888235	/nfs/dbraw/zinc/88/82/35/603888235.db2.gz	NLYKUDAAXSUTBQ-UHFFFAOYSA-N	-2	0	361.335	2.178	20	30		FEEDRL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593944345	673014016	/nfs/dbraw/zinc/01/40/16/673014016.db2.gz	JHIGXGJHWNGMDV-DVVUODLYSA-N	-2	0	372.393	2.250	20	30		FEEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000614326128	676169539	/nfs/dbraw/zinc/16/95/39/676169539.db2.gz	UMLVOFYOQVJGCW-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
N#CC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCCC1	ZINC000548198118	673933000	/nfs/dbraw/zinc/93/30/00/673933000.db2.gz	DUHDBQSKIJMCMB-UHFFFAOYSA-N	-2	0	353.356	2.119	20	30		FEEDRL
O=C([N-]C[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400703	680046774	/nfs/dbraw/zinc/04/67/74/680046774.db2.gz	OQQKNUQKEKFEEG-NTSWFWBYSA-N	-2	0	370.240	2.188	20	30		FEEDRL
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000779848448	681760229	/nfs/dbraw/zinc/76/02/29/681760229.db2.gz	NPIBZNPFDYZBMU-SNVBAGLBSA-N	-2	0	362.363	2.182	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(F)c1	ZINC000129312344	544104648	/nfs/dbraw/zinc/10/46/48/544104648.db2.gz	FCTQGRKHSXXICZ-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1	ZINC000489634879	561415982	/nfs/dbraw/zinc/41/59/82/561415982.db2.gz	VDGLAWARFIVTGK-UHFFFAOYSA-N	-2	0	368.802	2.488	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)s1	ZINC000435503441	559924312	/nfs/dbraw/zinc/92/43/12/559924312.db2.gz	VOSBLSKJLUXNTC-UHFFFAOYSA-N	-2	0	374.403	2.304	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)s1	ZINC000435501940	559924360	/nfs/dbraw/zinc/92/43/60/559924360.db2.gz	ONFRGBUMLLTGHD-UHFFFAOYSA-N	-2	0	364.404	2.468	20	30		FEEDRL
CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736486106	599738193	/nfs/dbraw/zinc/73/81/93/599738193.db2.gz	NHOGCGCQWNCNFW-UHFFFAOYSA-N	-2	0	350.352	2.437	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@H](c2cccc(C#N)c2)NC(=O)N1CCCCC(=O)[O-]	ZINC000736752174	599988987	/nfs/dbraw/zinc/98/89/87/599988987.db2.gz	UYVGJPOJUSXCSV-INIZCTEOSA-N	-2	0	357.366	2.238	20	30		FEEDRL
C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000833361990	605704851	/nfs/dbraw/zinc/70/48/51/605704851.db2.gz	VGVGERMQSNZMCB-UHFFFAOYSA-N	-2	0	357.815	2.427	20	30		FEEDRL
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000560454550	674589373	/nfs/dbraw/zinc/58/93/73/674589373.db2.gz	RAGPJYFJHYSTNY-UHFFFAOYSA-N	-2	0	351.409	2.469	20	30		FEEDRL
O=C([O-])COc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000725858106	673094901	/nfs/dbraw/zinc/09/49/01/673094901.db2.gz	GIKVMRQSLVLMJG-UHFFFAOYSA-N	-2	0	355.375	2.031	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)o1	ZINC000548769388	673994358	/nfs/dbraw/zinc/99/43/58/673994358.db2.gz	UPSHARKEVWVACH-UHFFFAOYSA-N	-2	0	371.168	2.413	20	30		FEEDRL
O=C([N-][C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000855082331	682628264	/nfs/dbraw/zinc/62/82/64/682628264.db2.gz	DLHXPZZPDKCLOG-OLQVQODUSA-N	-2	0	370.240	2.331	20	30		FEEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000484970163	561309644	/nfs/dbraw/zinc/30/96/44/561309644.db2.gz	FVSXPBLXSGPIOD-UHFFFAOYSA-N	-2	0	361.379	2.241	20	30		FEEDRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000271087544	550339127	/nfs/dbraw/zinc/33/91/27/550339127.db2.gz	TXEMVOZJEZLREM-UHFFFAOYSA-N	-2	0	362.411	2.167	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000328389468	553794262	/nfs/dbraw/zinc/79/42/62/553794262.db2.gz	NKXWAUJNBIXTBG-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC#N	ZINC000509398077	561797668	/nfs/dbraw/zinc/79/76/68/561797668.db2.gz	ZMGSSIPSBLGBRR-UHFFFAOYSA-N	-2	0	360.391	2.189	20	30		FEEDRL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F	ZINC000416952414	559339882	/nfs/dbraw/zinc/33/98/82/559339882.db2.gz	GPPZIMFISRKWOL-QMMMGPOBSA-N	-2	0	352.290	2.327	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C#N	ZINC000435687364	559928098	/nfs/dbraw/zinc/92/80/98/559928098.db2.gz	FCLIFZUBWFRYNS-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(CC(=O)[O-])cc1	ZINC000819773173	607253013	/nfs/dbraw/zinc/25/30/13/607253013.db2.gz	QPFSHIKJBALMSB-UHFFFAOYSA-N	-2	0	350.382	2.008	20	30		FEEDRL
Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1C(=O)[O-]	ZINC000738363866	600054550	/nfs/dbraw/zinc/05/45/50/600054550.db2.gz	OVEOGUXOESKQAI-UHFFFAOYSA-N	-2	0	357.800	2.476	20	30		FEEDRL
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1	ZINC000589438841	600814635	/nfs/dbraw/zinc/81/46/35/600814635.db2.gz	FFTDUUYWACWQFA-UHFFFAOYSA-N	-2	0	350.396	2.479	20	30		FEEDRL
CCC[C@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000829208305	600943420	/nfs/dbraw/zinc/94/34/20/600943420.db2.gz	JYPYZLZQLHVZKX-LBPRGKRZSA-N	-2	0	371.393	2.257	20	30		FEEDRL
CCC1(C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)CC1	ZINC000829039024	601141968	/nfs/dbraw/zinc/14/19/68/601141968.db2.gz	KPPUGNZGPYEWSI-UHFFFAOYSA-N	-2	0	369.377	2.011	20	30		FEEDRL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593944346	673013875	/nfs/dbraw/zinc/01/38/75/673013875.db2.gz	JHIGXGJHWNGMDV-INTQDDNPSA-N	-2	0	372.393	2.250	20	30		FEEDRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000751215580	680160531	/nfs/dbraw/zinc/16/05/31/680160531.db2.gz	QXQMNFIATOZTJG-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
C=C(C)C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-]	ZINC000864453053	683855174	/nfs/dbraw/zinc/85/51/74/683855174.db2.gz	WDPMOUXGZPMKMK-SNVBAGLBSA-N	-2	0	366.208	2.286	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1CCC#N	ZINC000271066703	550337142	/nfs/dbraw/zinc/33/71/42/550337142.db2.gz	MXFYABMTDADCMR-UHFFFAOYSA-N	-2	0	362.411	2.221	20	30		FEEDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1	ZINC000512742225	561913990	/nfs/dbraw/zinc/91/39/90/561913990.db2.gz	JJCUTBXJGMYOFL-UHFFFAOYSA-N	-2	0	366.374	2.282	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000738501729	600567344	/nfs/dbraw/zinc/56/73/44/600567344.db2.gz	YVVZWXDLCUUWQV-UHFFFAOYSA-N	-2	0	372.402	2.003	20	30		FEEDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1C(=O)[O-]	ZINC000832991841	600686696	/nfs/dbraw/zinc/68/66/96/600686696.db2.gz	QOBRTSVEOBLQPH-UHFFFAOYSA-N	-2	0	374.300	2.108	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(F)c1	ZINC000614314372	601976370	/nfs/dbraw/zinc/97/63/70/601976370.db2.gz	DVZQARLGLUGACM-LLVKDONJSA-N	-2	0	372.374	2.392	20	30		FEEDRL
C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1)C(=O)[O-]	ZINC000794887635	602071289	/nfs/dbraw/zinc/07/12/89/602071289.db2.gz	ACHSPEXQRQDUEJ-NSHDSACASA-N	-2	0	369.402	2.419	20	30		FEEDRL
C=CCS(=O)(=O)[N-]C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000833378169	604991577	/nfs/dbraw/zinc/99/15/77/604991577.db2.gz	KJPJNKTUXIXAIM-UHFFFAOYSA-N	-2	0	352.290	2.041	20	30		FEEDRL
CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C#N	ZINC000833507028	605187167	/nfs/dbraw/zinc/18/71/67/605187167.db2.gz	WWCHGNUHDRGXNH-UHFFFAOYSA-N	-2	0	350.352	2.437	20	30		FEEDRL
C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(CC(=O)[O-])C1	ZINC000547891250	673898648	/nfs/dbraw/zinc/89/86/48/673898648.db2.gz	SNNMPDALBUOLKG-QLJPJBMISA-N	-2	0	372.393	2.396	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768504552	680948667	/nfs/dbraw/zinc/94/86/67/680948667.db2.gz	MSFMKLBSKDPMDR-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2O)C1=O	ZINC000279205906	550864727	/nfs/dbraw/zinc/86/47/27/550864727.db2.gz	VKVMCAFLWHANEB-SFHVURJKSA-N	-2	0	363.414	2.414	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(Cl)c1	ZINC000321661002	553767010	/nfs/dbraw/zinc/76/70/10/553767010.db2.gz	OCEVELLHNVWBTJ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(C)c1C(=O)[O-]	ZINC000512741923	561913903	/nfs/dbraw/zinc/91/39/03/561913903.db2.gz	BUSRVCQJWDKTKJ-UHFFFAOYSA-N	-2	0	362.411	2.452	20	30		FEEDRL
Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)n1	ZINC000367877799	556162658	/nfs/dbraw/zinc/16/26/58/556162658.db2.gz	KHOSZUWRVQSPAY-UHFFFAOYSA-N	-2	0	372.362	2.051	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C#N	ZINC000427343113	559753758	/nfs/dbraw/zinc/75/37/58/559753758.db2.gz	VGHSORYQYPFVFH-UHFFFAOYSA-N	-2	0	359.407	2.470	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000466352892	560884781	/nfs/dbraw/zinc/88/47/81/560884781.db2.gz	ONNOKKLMOBFMNJ-UHFFFAOYSA-N	-2	0	374.418	2.410	20	30		FEEDRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000476395414	561118354	/nfs/dbraw/zinc/11/83/54/561118354.db2.gz	GQPIDQTZOSFAEE-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1ccc(-n2[n-]c(C(=O)[O-])c(CCOC(=O)CC3CCC3)c2=O)cc1	ZINC000833071240	600943863	/nfs/dbraw/zinc/94/38/63/600943863.db2.gz	YTHTWBZOLNDMQH-UHFFFAOYSA-N	-2	0	369.377	2.011	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1	ZINC000826528091	601382525	/nfs/dbraw/zinc/38/25/25/601382525.db2.gz	HXFUOCJPTGTJAM-UHFFFAOYSA-N	-2	0	354.413	2.070	20	30		FEEDRL
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000833052802	601785258	/nfs/dbraw/zinc/78/52/58/601785258.db2.gz	JVFTVDXHVKHJFQ-UHFFFAOYSA-N	-2	0	373.312	2.415	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000751146520	601838820	/nfs/dbraw/zinc/83/88/20/601838820.db2.gz	VDHIJYGWQXJNPN-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1	ZINC000825687532	602115229	/nfs/dbraw/zinc/11/52/29/602115229.db2.gz	OKKWIWMHFVVWPI-UHFFFAOYSA-N	-2	0	366.420	2.163	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000760361082	602119196	/nfs/dbraw/zinc/11/91/96/602119196.db2.gz	KVPHPPUOGUVUGT-UHFFFAOYSA-N	-2	0	350.327	2.227	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833068108	602119579	/nfs/dbraw/zinc/11/95/79/602119579.db2.gz	PRIBYUSIIZIXFG-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1)C(=O)[O-]	ZINC000739445109	602653919	/nfs/dbraw/zinc/65/39/19/602653919.db2.gz	DGOYPWNJCMUHKI-UHFFFAOYSA-N	-2	0	360.395	2.254	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000833913434	605972787	/nfs/dbraw/zinc/97/27/87/605972787.db2.gz	BWZURDIOOYSWEW-NSHDSACASA-N	-2	0	358.379	2.180	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000776554854	681404437	/nfs/dbraw/zinc/40/44/37/681404437.db2.gz	LRPDDLHSRKDNQI-GFCCVEGCSA-N	-2	0	372.393	2.396	20	30		FEEDRL
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Br)cc(F)c1[O-]	ZINC000783807485	682178866	/nfs/dbraw/zinc/17/88/66/682178866.db2.gz	WBKAFXAQNZQVRY-UHFFFAOYSA-N	-2	0	356.155	2.329	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)sc1C(=O)[O-]	ZINC000267399680	329322859	/nfs/dbraw/zinc/32/28/59/329322859.db2.gz	FRACZMUPLAFSIQ-UHFFFAOYSA-N	-2	0	368.440	2.379	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)nn1CCC#N	ZINC000271090380	550339267	/nfs/dbraw/zinc/33/92/67/550339267.db2.gz	USOYYBAPLCELNM-UHFFFAOYSA-N	-2	0	374.422	2.093	20	30		FEEDRL
COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1	ZINC000504665886	561660970	/nfs/dbraw/zinc/66/09/70/561660970.db2.gz	NDELPWIXZLROBH-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000375611991	558056917	/nfs/dbraw/zinc/05/69/17/558056917.db2.gz	LMRXVDIDBHHSMR-UHFFFAOYSA-N	-2	0	369.406	2.467	20	30		FEEDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000531781248	562456474	/nfs/dbraw/zinc/45/64/74/562456474.db2.gz	POPNILSUBDTCDH-UHFFFAOYSA-N	-2	0	368.440	2.379	20	30		FEEDRL
C=CCN1C(=O)N[C@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736106692	599983365	/nfs/dbraw/zinc/98/33/65/599983365.db2.gz	HVUFTGCEBYJZDM-MRXNPFEDSA-N	-2	0	360.366	2.151	20	30		FEEDRL
N#Cc1ccc(-n2[n-]c(C(=O)[O-])c(CCOC(=O)CCC3CC3)c2=O)cc1	ZINC000739101984	600203607	/nfs/dbraw/zinc/20/36/07/600203607.db2.gz	MHUQORSAYCXMRQ-UHFFFAOYSA-N	-2	0	369.377	2.011	20	30		FEEDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000738539659	600784681	/nfs/dbraw/zinc/78/46/81/600784681.db2.gz	FHQJCFSGGBQKGN-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000832989398	601181590	/nfs/dbraw/zinc/18/15/90/601181590.db2.gz	ZQWJFCKDEBANCQ-IJLUTSLNSA-N	-2	0	350.396	2.062	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(OCCNC(=O)[O-])c1	ZINC000740321508	602456045	/nfs/dbraw/zinc/45/60/45/602456045.db2.gz	CCQKVGSEJULUFT-UHFFFAOYSA-N	-2	0	361.379	2.005	20	30		FEEDRL
Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1	ZINC000740277219	602728100	/nfs/dbraw/zinc/72/81/00/602728100.db2.gz	GAXRXVSBWXJEMX-SECBINFHSA-N	-2	0	355.379	2.287	20	30		FEEDRL
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832849330	604399707	/nfs/dbraw/zinc/39/97/07/604399707.db2.gz	DJWOKFGJPXNFAH-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)c1nnc2n1CCCCC2	ZINC000833913536	605972518	/nfs/dbraw/zinc/97/25/18/605972518.db2.gz	GNRGIVWUONOWFF-VIFPVBQESA-N	-2	0	360.399	2.349	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cc([O-])cc2F)n1	ZINC000746983751	673900170	/nfs/dbraw/zinc/90/01/70/673900170.db2.gz	AOVQMTOGTQLWCP-VIFPVBQESA-N	-2	0	352.318	2.469	20	30		FEEDRL
C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548541109	673968148	/nfs/dbraw/zinc/96/81/48/673968148.db2.gz	IBCQXEFCVLXPMG-WFASDCNBSA-N	-2	0	358.366	2.148	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000768505411	680948499	/nfs/dbraw/zinc/94/84/99/680948499.db2.gz	QDAMZTNJLCYMAL-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])c1	ZINC000504665773	561660915	/nfs/dbraw/zinc/66/09/15/561660915.db2.gz	LBASAGVQVKICJX-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)cn1	ZINC000509397009	561797633	/nfs/dbraw/zinc/79/76/33/561797633.db2.gz	PPQHPXJSLFKJFO-UHFFFAOYSA-N	-2	0	357.391	2.331	20	30		FEEDRL
C[C@H](Sc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-]	ZINC000515050111	561993807	/nfs/dbraw/zinc/99/38/07/561993807.db2.gz	CKQTXRNWDBLXJY-JTQLQIEISA-N	-2	0	363.420	2.319	20	30		FEEDRL
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000516000089	562027521	/nfs/dbraw/zinc/02/75/21/562027521.db2.gz	UVWSQVMZXANUCB-UHFFFAOYSA-N	-2	0	368.392	2.136	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c([N+](=O)[O-])c1	ZINC000524964374	562238593	/nfs/dbraw/zinc/23/85/93/562238593.db2.gz	DJQOBWQWUHPIEV-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F	ZINC000427265091	559751839	/nfs/dbraw/zinc/75/18/39/559751839.db2.gz	AAJDBVYCNIFWMF-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000462081416	560795844	/nfs/dbraw/zinc/79/58/44/560795844.db2.gz	CACWRAKCPRFMCG-UHFFFAOYSA-N	-2	0	364.379	2.003	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000463527074	560818124	/nfs/dbraw/zinc/81/81/24/560818124.db2.gz	NPCNHMDIXIFJRT-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)[O-]	ZINC000463790776	560824380	/nfs/dbraw/zinc/82/43/80/560824380.db2.gz	ZPOLEJAVHYKUKY-ZDUSSCGKSA-N	-2	0	359.407	2.407	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000466286404	560883522	/nfs/dbraw/zinc/88/35/22/560883522.db2.gz	JNEDWTUJGPPVED-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000832152438	601861076	/nfs/dbraw/zinc/86/10/76/601861076.db2.gz	GGNYDPYJWZFKGT-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1NC(=O)[O-]	ZINC000830230999	603450107	/nfs/dbraw/zinc/45/01/07/603450107.db2.gz	WBZKFCQAAMPWQR-UHFFFAOYSA-N	-2	0	373.390	2.384	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000832988912	604857017	/nfs/dbraw/zinc/85/70/17/604857017.db2.gz	OFTRAYDANXUZRT-LLVKDONJSA-N	-2	0	362.338	2.322	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000833914083	605972643	/nfs/dbraw/zinc/97/26/43/605972643.db2.gz	QKRROZCBRQDZID-JTQLQIEISA-N	-2	0	350.400	2.313	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1	ZINC000588316544	672462301	/nfs/dbraw/zinc/46/23/01/672462301.db2.gz	GSIWPPXENBDRCL-LLVKDONJSA-N	-2	0	368.798	2.341	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(F)c1	ZINC000548198163	673933055	/nfs/dbraw/zinc/93/30/55/673933055.db2.gz	ITQKJBJAFGDWSB-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548268226	673946027	/nfs/dbraw/zinc/94/60/27/673946027.db2.gz	IMDMVFNVJUDVLB-VHSXEESVSA-N	-2	0	360.382	2.394	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1F	ZINC000519741425	562141920	/nfs/dbraw/zinc/14/19/20/562141920.db2.gz	BJRVMNLTEMMZQE-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435503741	559924345	/nfs/dbraw/zinc/92/43/45/559924345.db2.gz	WPTMXQWSKLBAAZ-UHFFFAOYSA-N	-2	0	366.420	2.446	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000436967153	559957892	/nfs/dbraw/zinc/95/78/92/559957892.db2.gz	OOFGKZHPJKCFDZ-UHFFFAOYSA-N	-2	0	362.363	2.080	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000464830077	560852744	/nfs/dbraw/zinc/85/27/44/560852744.db2.gz	HWLZLKVBGJKQEA-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cn1	ZINC000739133041	599926941	/nfs/dbraw/zinc/92/69/41/599926941.db2.gz	ZEAYDLAPMHVIPQ-UHFFFAOYSA-N	-2	0	363.420	2.072	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1	ZINC000826528382	601485812	/nfs/dbraw/zinc/48/58/12/601485812.db2.gz	ZHXOEMBAGXYUNT-UHFFFAOYSA-N	-2	0	354.413	2.070	20	30		FEEDRL
C=CCNC(=O)C(C#N)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000825687213	602031545	/nfs/dbraw/zinc/03/15/45/602031545.db2.gz	DWBGHOWGFCWKAZ-LLVKDONJSA-N	-2	0	355.272	2.420	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)nn1CCC#N	ZINC000579230745	671721111	/nfs/dbraw/zinc/72/11/11/671721111.db2.gz	VJROKQHZRJDUBD-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000548214919	673935877	/nfs/dbraw/zinc/93/58/77/673935877.db2.gz	ZJQYAKHBHICEKW-ZDUSSCGKSA-N	-2	0	358.366	2.148	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(F)c1	ZINC000130108217	544138967	/nfs/dbraw/zinc/13/89/67/544138967.db2.gz	MNLHFMOCAISULZ-UHFFFAOYSA-N	-2	0	352.318	2.264	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000481979993	561246694	/nfs/dbraw/zinc/24/66/94/561246694.db2.gz	WGWBYDHKHQRMHY-UHFFFAOYSA-N	-2	0	374.418	2.030	20	30		FEEDRL
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000375612576	558056964	/nfs/dbraw/zinc/05/69/64/558056964.db2.gz	NNZGHANEJXKIDY-UHFFFAOYSA-N	-2	0	355.379	2.158	20	30		FEEDRL
CC(C)[C@@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736354757	600242483	/nfs/dbraw/zinc/24/24/83/600242483.db2.gz	JLRPNQZNSBIGFY-GFCCVEGCSA-N	-2	0	371.393	2.113	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1CCCCCC(=O)[O-]	ZINC000828135044	600783352	/nfs/dbraw/zinc/78/33/52/600783352.db2.gz	MMJPYLAIKCABTH-HNNXBMFYSA-N	-2	0	361.354	2.221	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000610156338	600783954	/nfs/dbraw/zinc/78/39/54/600783954.db2.gz	BYHAJPFJKPMVKY-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000736077189	600899260	/nfs/dbraw/zinc/89/92/60/600899260.db2.gz	ZSFZJFKYFPAUEF-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000736075698	600899391	/nfs/dbraw/zinc/89/93/91/600899391.db2.gz	BQKRFZKSTYDWHU-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000736088683	600900388	/nfs/dbraw/zinc/90/03/88/600900388.db2.gz	AQFYWROJVKRMDR-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1	ZINC000730996583	673297762	/nfs/dbraw/zinc/29/77/62/673297762.db2.gz	VNSHMZXJYVGUBY-UHFFFAOYSA-N	-2	0	361.375	2.212	20	30		FEEDRL
CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590031	673977204	/nfs/dbraw/zinc/97/72/04/673977204.db2.gz	NLSQRYITLNMSFO-NOZJJQNGSA-N	-2	0	360.382	2.394	20	30		FEEDRL
CC(C)[C@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749388459	680045458	/nfs/dbraw/zinc/04/54/58/680045458.db2.gz	WNKKPMDLEWQKEB-YFKPBYRVSA-N	-2	0	358.229	2.044	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757657362	680530651	/nfs/dbraw/zinc/53/06/51/680530651.db2.gz	QIFKDQSMWAAZJF-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000779848436	681760220	/nfs/dbraw/zinc/76/02/20/681760220.db2.gz	NPIBZNPFDYZBMU-JTQLQIEISA-N	-2	0	362.363	2.182	20	30		FEEDRL
CC(C)(C)[C@@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000799060032	683418056	/nfs/dbraw/zinc/41/80/56/683418056.db2.gz	ZPYBJKKCVXGFCP-RXMQYKEDSA-N	-2	0	372.256	2.434	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1	ZINC000267966549	329372477	/nfs/dbraw/zinc/37/24/77/329372477.db2.gz	ADSMMECXWULWDG-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cc1C#N	ZINC000427196316	559750182	/nfs/dbraw/zinc/75/01/82/559750182.db2.gz	FSTYIVZGLYUVKW-UHFFFAOYSA-N	-2	0	356.363	2.242	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cc1C#N	ZINC000427242862	559751283	/nfs/dbraw/zinc/75/12/83/559751283.db2.gz	PPELREOSGVNVQB-UHFFFAOYSA-N	-2	0	373.390	2.110	20	30		FEEDRL
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000436993571	559958977	/nfs/dbraw/zinc/95/89/77/559958977.db2.gz	DNZKVQYAVJYZKJ-UHFFFAOYSA-N	-2	0	364.354	2.338	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000467744018	560916378	/nfs/dbraw/zinc/91/63/78/560916378.db2.gz	FLPAAPUNQCURJN-UHFFFAOYSA-N	-2	0	350.352	2.357	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1C(=O)[O-]	ZINC000471115404	560998643	/nfs/dbraw/zinc/99/86/43/560998643.db2.gz	VZBUNWCQBXYWQU-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1	ZINC000832910383	604623297	/nfs/dbraw/zinc/62/32/97/604623297.db2.gz	FNMNAPVRIXNPQE-UHFFFAOYSA-N	-2	0	351.409	2.141	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1	ZINC000832988830	604845347	/nfs/dbraw/zinc/84/53/47/604845347.db2.gz	JJPLQLKDPKFWDT-SNVBAGLBSA-N	-2	0	361.379	2.128	20	30		FEEDRL
Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c(C(=O)[O-])c1	ZINC000833750957	605189287	/nfs/dbraw/zinc/18/92/87/605189287.db2.gz	JGFJKAPWEFZKFG-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000573259780	671101153	/nfs/dbraw/zinc/10/11/53/671101153.db2.gz	NNQVAUBNGXTVAT-UHFFFAOYSA-N	-2	0	361.379	2.241	20	30		FEEDRL
COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000580973533	671851792	/nfs/dbraw/zinc/85/17/92/671851792.db2.gz	KLWKSNNUVSRING-UHFFFAOYSA-N	-2	0	356.743	2.312	20	30		FEEDRL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000589543697	672530725	/nfs/dbraw/zinc/53/07/25/672530725.db2.gz	CCAUWMBBZLAACX-UHFFFAOYSA-N	-2	0	361.379	2.239	20	30		FEEDRL
N#Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000739671405	673634290	/nfs/dbraw/zinc/63/42/90/673634290.db2.gz	BPTWBFLLBBQIAT-UHFFFAOYSA-N	-2	0	364.354	2.352	20	30		FEEDRL
C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000548836394	674000126	/nfs/dbraw/zinc/00/01/26/674000126.db2.gz	CXXQWRAWIMDZRZ-VFZGTOFNSA-N	-2	0	358.366	2.148	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000534402484	562533398	/nfs/dbraw/zinc/53/33/98/562533398.db2.gz	WJWRMZUSCPGQLS-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000760361551	602119258	/nfs/dbraw/zinc/11/92/58/602119258.db2.gz	ZGSZKSASFPOROE-UHFFFAOYSA-N	-2	0	364.354	2.156	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000740321943	602491025	/nfs/dbraw/zinc/49/10/25/602491025.db2.gz	LAZZXSJBKVYNJA-UHFFFAOYSA-N	-2	0	357.391	2.395	20	30		FEEDRL
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C#N	ZINC000827058721	605009847	/nfs/dbraw/zinc/00/98/47/605009847.db2.gz	SRNUOWCDCNNJIQ-UHFFFAOYSA-N	-2	0	350.352	2.437	20	30		FEEDRL
N#C[C@@H](C(=O)C1CN(C(=O)[O-])C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000833960188	605583286	/nfs/dbraw/zinc/58/32/86/605583286.db2.gz	GSNITXFCMMJJGJ-JTQLQIEISA-N	-2	0	372.406	2.062	20	30		FEEDRL
C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000833402836	605598570	/nfs/dbraw/zinc/59/85/70/605598570.db2.gz	XQVQUNKCPRZZGY-SNVBAGLBSA-N	-2	0	362.363	2.182	20	30		FEEDRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000548524502	673965503	/nfs/dbraw/zinc/96/55/03/673965503.db2.gz	QGXIVQBXFUJJMO-UHFFFAOYSA-N	-2	0	364.354	2.346	20	30		FEEDRL
C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000548541108	673968156	/nfs/dbraw/zinc/96/81/56/673968156.db2.gz	IBCQXEFCVLXPMG-SWLSCSKDSA-N	-2	0	358.366	2.148	20	30		FEEDRL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823893888	675575872	/nfs/dbraw/zinc/57/58/72/675575872.db2.gz	AOLWQOWKZYPKHN-VIFPVBQESA-N	-2	0	357.386	2.168	20	30		FEEDRL
CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)n2)cc1	ZINC000175294462	327385054	/nfs/dbraw/zinc/38/50/54/327385054.db2.gz	WFTJVYGTXSCDAF-UHFFFAOYSA-N	-2	0	361.365	2.420	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1C#N	ZINC000327762842	553790947	/nfs/dbraw/zinc/79/09/47/553790947.db2.gz	SIYGXSYOEJSWJG-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])cc2)cc1	ZINC000820837079	598159979	/nfs/dbraw/zinc/15/99/79/598159979.db2.gz	NHKNSLDNUOXAPQ-INIZCTEOSA-N	-2	0	352.346	2.032	20	30		FEEDRL
COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C(=O)[O-])cc2)cc1	ZINC000820832111	598160024	/nfs/dbraw/zinc/16/00/24/598160024.db2.gz	DAIRLUUBHZRGEE-KRWDZBQOSA-N	-2	0	366.373	2.075	20	30		FEEDRL
N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000324462608	599737334	/nfs/dbraw/zinc/73/73/34/599737334.db2.gz	IXHJWZWFMNWBAH-UHFFFAOYSA-N	-2	0	350.352	2.461	20	30		FEEDRL
C=CCN1C(=O)N[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736107546	599983426	/nfs/dbraw/zinc/98/34/26/599983426.db2.gz	YDLYMTZRHLLETI-IAQYHMDHSA-N	-2	0	360.366	2.149	20	30		FEEDRL
COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(NC(=O)[O-])c2)cc1	ZINC000737996106	600056699	/nfs/dbraw/zinc/05/66/99/600056699.db2.gz	ABGMSQPDKMVQON-INIZCTEOSA-N	-2	0	367.361	2.424	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N	ZINC000738196994	600365749	/nfs/dbraw/zinc/36/57/49/600365749.db2.gz	VRBPIZDCUGHOGX-LBPRGKRZSA-N	-2	0	355.375	2.209	20	30		FEEDRL
N#Cc1ccccc1-c1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000739139889	600462446	/nfs/dbraw/zinc/46/24/46/600462446.db2.gz	LNIOIBAESAQARD-UHFFFAOYSA-N	-2	0	372.402	2.150	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000614760956	600672557	/nfs/dbraw/zinc/67/25/57/600672557.db2.gz	DFJIKFBTBOQIHS-UHFFFAOYSA-N	-2	0	366.420	2.163	20	30		FEEDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000763290208	601881022	/nfs/dbraw/zinc/88/10/22/601881022.db2.gz	JXAIPTBDUURSIT-UHFFFAOYSA-N	-2	0	359.407	2.432	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)c(F)c1	ZINC000760100023	601976691	/nfs/dbraw/zinc/97/66/91/601976691.db2.gz	OKMYVTRQMIHULN-AWEZNQCLSA-N	-2	0	366.345	2.331	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc1C#N	ZINC000829754969	603608635	/nfs/dbraw/zinc/60/86/35/603608635.db2.gz	QSFQPOXICSABDX-GFCCVEGCSA-N	-2	0	366.443	2.135	20	30		FEEDRL
CC[C@H](OC(=O)CSc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000833646092	605009996	/nfs/dbraw/zinc/00/99/96/605009996.db2.gz	SRQCXTNTECIHGX-QMMMGPOBSA-N	-2	0	364.301	2.176	20	30		FEEDRL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1	ZINC000826461975	608881685	/nfs/dbraw/zinc/88/16/85/608881685.db2.gz	LBFLIXQXCCIXQZ-GORDUTHDSA-N	-2	0	354.297	2.306	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434983	681391374	/nfs/dbraw/zinc/39/13/74/681391374.db2.gz	USWCBSLNRCLWOY-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CN(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C#N)c(C(=O)[O-])c1	ZINC000776530318	681399770	/nfs/dbraw/zinc/39/97/70/681399770.db2.gz	ATEVRAFWMYWYSW-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1	ZINC000427197597	559750156	/nfs/dbraw/zinc/75/01/56/559750156.db2.gz	DEAKGTBNRBIRMC-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000737920584	600097894	/nfs/dbraw/zinc/09/78/94/600097894.db2.gz	NKFQMVPVBGLZPW-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000739072942	600104341	/nfs/dbraw/zinc/10/43/41/600104341.db2.gz	NOBQVUGXNZOEHF-UHFFFAOYSA-N	-2	0	367.408	2.325	20	30		FEEDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000739692526	600460762	/nfs/dbraw/zinc/46/07/62/600460762.db2.gz	QWAKDGZVRBMGDG-UHFFFAOYSA-N	-2	0	371.414	2.011	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(CCC#N)n1	ZINC000832899505	601829644	/nfs/dbraw/zinc/82/96/44/601829644.db2.gz	NDECIMWYSOHPFN-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c(F)c1	ZINC000833069659	601985920	/nfs/dbraw/zinc/98/59/20/601985920.db2.gz	KREQDAHEWPRPJQ-CYBMUJFWSA-N	-2	0	358.366	2.148	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833067781	602119536	/nfs/dbraw/zinc/11/95/36/602119536.db2.gz	IPQHVFMPJFVDIA-UHFFFAOYSA-N	-2	0	356.356	2.289	20	30		FEEDRL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1	ZINC000826461974	608881408	/nfs/dbraw/zinc/88/14/08/608881408.db2.gz	LBFLIXQXCCIXQZ-DJWKRKHSSA-N	-2	0	354.297	2.306	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1F	ZINC000574383268	671233474	/nfs/dbraw/zinc/23/34/74/671233474.db2.gz	QAUBWXAOVOGGHW-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1	ZINC000766368215	680874780	/nfs/dbraw/zinc/87/47/80/680874780.db2.gz	GAYHUKOXIQFNJD-UHFFFAOYSA-N	-2	0	368.317	2.344	20	30		FEEDRL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000504523373	561659274	/nfs/dbraw/zinc/65/92/74/561659274.db2.gz	AZPBCKNLUGOINA-UHFFFAOYSA-N	-2	0	364.354	2.352	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c([N+](=O)[O-])c1	ZINC000427315525	559753152	/nfs/dbraw/zinc/75/31/52/559753152.db2.gz	OIXSEWNHRJEDAZ-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1[n-][nH]c(=NC(=O)c2cc(Br)cc(Cl)c2[O-])c1C#N	ZINC000436922338	559956567	/nfs/dbraw/zinc/95/65/67/559956567.db2.gz	ZSUKSYJJVWRRIN-UHFFFAOYSA-N	-2	0	355.579	2.964	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000610156492	600784170	/nfs/dbraw/zinc/78/41/70/600784170.db2.gz	WRKHCRTYYMLDFS-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000832989396	601181601	/nfs/dbraw/zinc/18/16/01/601181601.db2.gz	ZQWJFCKDEBANCQ-GRYCIOLGSA-N	-2	0	350.396	2.062	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825687536	601230814	/nfs/dbraw/zinc/23/08/14/601230814.db2.gz	PBAOMVCZNODZRY-UHFFFAOYSA-N	-2	0	364.379	2.003	20	30		FEEDRL
Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1C(=O)[O-]	ZINC000832972551	601486401	/nfs/dbraw/zinc/48/64/01/601486401.db2.gz	FNAYOZCPYFOVLO-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1	ZINC000825631608	601840718	/nfs/dbraw/zinc/84/07/18/601840718.db2.gz	GVPPDAKKIWGMQS-UHFFFAOYSA-N	-2	0	366.782	2.246	20	30		FEEDRL
N#Cc1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)ccc1Cl	ZINC000833070647	604625224	/nfs/dbraw/zinc/62/52/24/604625224.db2.gz	PTYCBUBJLMEQEN-UHFFFAOYSA-N	-2	0	371.827	2.486	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1	ZINC000833453151	604744707	/nfs/dbraw/zinc/74/47/07/604744707.db2.gz	VBKLDNHMJUHPQC-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000610156681	675957777	/nfs/dbraw/zinc/95/77/77/675957777.db2.gz	DSTYQWSSPBCKCE-UHFFFAOYSA-N	-2	0	361.335	2.274	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000756936591	680505758	/nfs/dbraw/zinc/50/57/58/680505758.db2.gz	PXQSCSIWOTVCNA-UHFFFAOYSA-N	-2	0	354.290	2.041	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000760361550	680684196	/nfs/dbraw/zinc/68/41/96/680684196.db2.gz	ZFAOFCURMHQHLA-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
Cn1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C(=O)[O-]	ZINC000298881845	553484489	/nfs/dbraw/zinc/48/44/89/553484489.db2.gz	ZWCNVDCUWGOAJF-UHFFFAOYSA-N	-2	0	363.395	2.207	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(F)c1	ZINC000436736675	559950356	/nfs/dbraw/zinc/95/03/56/559950356.db2.gz	GWDONKVSOPVOIK-UHFFFAOYSA-N	-2	0	354.290	2.041	20	30		FEEDRL
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1	ZINC000736095399	599813139	/nfs/dbraw/zinc/81/31/39/599813139.db2.gz	UMMUTMDHVFYIBP-UHFFFAOYSA-N	-2	0	365.388	2.015	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000736076073	600899528	/nfs/dbraw/zinc/89/95/28/600899528.db2.gz	KOGLYKCIMXBUEI-UHFFFAOYSA-N	-2	0	355.368	2.398	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(CCC#N)n1	ZINC000832898125	601329599	/nfs/dbraw/zinc/32/95/99/601329599.db2.gz	BBHRUNLHPFNYFK-UHFFFAOYSA-N	-2	0	362.411	2.221	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000730996574	601331527	/nfs/dbraw/zinc/33/15/27/601331527.db2.gz	SFCNCGSISXTYJZ-UHFFFAOYSA-N	-2	0	361.375	2.206	20	30		FEEDRL
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000829519678	601485169	/nfs/dbraw/zinc/48/51/69/601485169.db2.gz	OIJZMVJHMUZYSI-UHFFFAOYSA-N	-2	0	366.424	2.336	20	30		FEEDRL
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000833741530	605127433	/nfs/dbraw/zinc/12/74/33/605127433.db2.gz	QYZYWUWIHUIMRZ-UHFFFAOYSA-N	-2	0	367.364	2.335	20	30		FEEDRL
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000779846057	605597456	/nfs/dbraw/zinc/59/74/56/605597456.db2.gz	TXXSILLSQUJKDK-LBPRGKRZSA-N	-2	0	360.391	2.405	20	30		FEEDRL
CC(C)C[C@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749387581	680045546	/nfs/dbraw/zinc/04/55/46/680045546.db2.gz	AODGPTNVUUKGTN-ZCFIWIBFSA-N	-2	0	372.256	2.434	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1CCC#N	ZINC000271085423	550338918	/nfs/dbraw/zinc/33/89/18/550338918.db2.gz	SMTITQXGSRWMPO-UHFFFAOYSA-N	-2	0	362.411	2.221	20	30		FEEDRL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1	ZINC000321340177	553766583	/nfs/dbraw/zinc/76/65/83/553766583.db2.gz	VXRCZGFVYCNHOZ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F	ZINC000416961553	559340406	/nfs/dbraw/zinc/34/04/06/559340406.db2.gz	POAOREUXVPFKOH-QMMMGPOBSA-N	-2	0	352.290	2.327	20	30		FEEDRL
C=CCC(C)(C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000432299822	559855801	/nfs/dbraw/zinc/85/58/01/559855801.db2.gz	QYDMQPILGRZGPJ-UHFFFAOYSA-N	-2	0	364.464	2.078	20	30		FEEDRL
COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)ccc1C(=O)[O-]	ZINC000432773462	559864373	/nfs/dbraw/zinc/86/43/73/559864373.db2.gz	GLAFCFSZRQVCST-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)ccc1Cl	ZINC000436995599	559959009	/nfs/dbraw/zinc/95/90/09/559959009.db2.gz	QWTCBFBDGDNYMP-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000532088147	562466596	/nfs/dbraw/zinc/46/65/96/562466596.db2.gz	IPHRZBCMVGTQOB-UHFFFAOYSA-N	-2	0	354.413	2.205	20	30		FEEDRL
Cc1c(F)cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C(=O)[O-]	ZINC000568632294	568101026	/nfs/dbraw/zinc/10/10/26/568101026.db2.gz	NCSFECKWVIIFKN-UHFFFAOYSA-N	-2	0	366.374	2.282	20	30		FEEDRL
CC/C=C(\C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736948130	599912567	/nfs/dbraw/zinc/91/25/67/599912567.db2.gz	IZCRLCLRMHQHRA-UUILKARUSA-N	-2	0	369.377	2.177	20	30		FEEDRL
N#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000739088693	600232737	/nfs/dbraw/zinc/23/27/37/600232737.db2.gz	VTZCGRHNWHUMMO-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
C#CCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1	ZINC000825631408	601203577	/nfs/dbraw/zinc/20/35/77/601203577.db2.gz	CZHBFQHPPQUPCQ-UHFFFAOYSA-N	-2	0	367.404	2.268	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833366190	604743528	/nfs/dbraw/zinc/74/35/28/604743528.db2.gz	KWMPCZDEPUSIRL-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cc1cc(C)n(N=Cc2cc(Cl)cc(F)c2[O-])c(=O)c1-c1nnn[n-]1	ZINC000826265333	608535172	/nfs/dbraw/zinc/53/51/72/608535172.db2.gz	VKXXHAVDDAUYGJ-UHFFFAOYSA-N	-2	0	362.752	2.026	20	30		FEEDRL
O=C([O-])C1CC(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1	ZINC000814863649	674884760	/nfs/dbraw/zinc/88/47/60/674884760.db2.gz	WPPQVJOGHRQJFJ-UHFFFAOYSA-N	-2	0	366.424	2.206	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000741657048	673693097	/nfs/dbraw/zinc/69/30/97/673693097.db2.gz	IQDKXKBSXMZNPY-UHFFFAOYSA-N	-2	0	366.326	2.252	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc(C(=O)[O-])c1Cl	ZINC000759104404	680627243	/nfs/dbraw/zinc/62/72/43/680627243.db2.gz	ZHNXLNGSDICHOK-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)o1	ZINC000489451533	561411594	/nfs/dbraw/zinc/41/15/94/561411594.db2.gz	KABLTLHMCUFYRT-UHFFFAOYSA-N	-2	0	371.168	2.413	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C#N	ZINC000324109652	553771103	/nfs/dbraw/zinc/77/11/03/553771103.db2.gz	KQNKAPFJUDQQRM-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F	ZINC000416961550	559340402	/nfs/dbraw/zinc/34/04/02/559340402.db2.gz	POAOREUXVPFKOH-MRVPVSSYSA-N	-2	0	352.290	2.327	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000471137692	560999080	/nfs/dbraw/zinc/99/90/80/560999080.db2.gz	VEDIRTGRQNGXNS-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(F)c1	ZINC000532850273	562490522	/nfs/dbraw/zinc/49/05/22/562490522.db2.gz	XVCASEYXNWBPCF-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
CCn1c(C)nnc1SC=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000737294621	599805436	/nfs/dbraw/zinc/80/54/36/599805436.db2.gz	WYUSRLOLFYVRCG-UHFFFAOYSA-N	-2	0	359.411	2.101	20	30		FEEDRL
C=CCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC000736097353	600242536	/nfs/dbraw/zinc/24/25/36/600242536.db2.gz	JGSLNGFOCWNRSW-UHFFFAOYSA-N	-2	0	351.302	2.175	20	30		FEEDRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N	ZINC000762614717	601602589	/nfs/dbraw/zinc/60/25/89/601602589.db2.gz	DSLYZCGYFREUIX-UHFFFAOYSA-N	-2	0	359.407	2.432	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(F)c1	ZINC000833069516	601858386	/nfs/dbraw/zinc/85/83/86/601858386.db2.gz	CFZZDBOSLSBKHT-UHFFFAOYSA-N	-2	0	368.317	2.101	20	30		FEEDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1	ZINC000833714602	605087093	/nfs/dbraw/zinc/08/70/93/605087093.db2.gz	GVLRGVPRTCSGRK-UHFFFAOYSA-N	-2	0	374.374	2.152	20	30		FEEDRL
COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2[O-])cc1-c1nn[nH]n1	ZINC000821786725	606858523	/nfs/dbraw/zinc/85/85/23/606858523.db2.gz	ILSWFXDDBVBTSE-GORDUTHDSA-N	-2	0	366.333	2.175	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(F)c1	ZINC000610058782	675949139	/nfs/dbraw/zinc/94/91/39/675949139.db2.gz	YTMWYHCSTSXFQV-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F	ZINC000160128915	672289483	/nfs/dbraw/zinc/28/94/83/672289483.db2.gz	RKESMABNFOVYTC-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000548836393	673999971	/nfs/dbraw/zinc/99/99/71/673999971.db2.gz	CXXQWRAWIMDZRZ-RFAUZJTJSA-N	-2	0	358.366	2.148	20	30		FEEDRL
CCC[C@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749365103	680043549	/nfs/dbraw/zinc/04/35/49/680043549.db2.gz	OMIFHIKPYWKEBD-RXMQYKEDSA-N	-2	0	358.229	2.188	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1	ZINC000392808883	558619112	/nfs/dbraw/zinc/61/91/12/558619112.db2.gz	DMZRHRLQJSMWIC-UHFFFAOYSA-N	-2	0	371.296	2.471	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C#N	ZINC000427343302	559753793	/nfs/dbraw/zinc/75/37/93/559753793.db2.gz	AZLGTHMDYKXPBC-NSHDSACASA-N	-2	0	359.407	2.326	20	30		FEEDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000534403124	562533373	/nfs/dbraw/zinc/53/33/73/562533373.db2.gz	GMFVWCHBXDZSPP-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000830059593	601232547	/nfs/dbraw/zinc/23/25/47/601232547.db2.gz	HNYWHDLPNXIRQQ-UHFFFAOYSA-N	-2	0	350.352	2.357	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c(F)c1	ZINC000833069666	601985965	/nfs/dbraw/zinc/98/59/65/601985965.db2.gz	KSIDRWOCGBHNQC-UHFFFAOYSA-N	-2	0	358.366	2.292	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833067695	602119832	/nfs/dbraw/zinc/11/98/32/602119832.db2.gz	HQXJHCYCNNYYSM-UHFFFAOYSA-N	-2	0	356.356	2.289	20	30		FEEDRL
C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000833402835	605597953	/nfs/dbraw/zinc/59/79/53/605597953.db2.gz	XQVQUNKCPRZZGY-JTQLQIEISA-N	-2	0	362.363	2.182	20	30		FEEDRL
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000833914084	605972735	/nfs/dbraw/zinc/97/27/35/605972735.db2.gz	QKRROZCBRQDZID-SNVBAGLBSA-N	-2	0	350.400	2.313	20	30		FEEDRL
CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(C(=O)[O-])ccc2O)o1	ZINC000819782523	606856271	/nfs/dbraw/zinc/85/62/71/606856271.db2.gz	MSNXKJAEOZDCNW-UHFFFAOYSA-N	-2	0	371.357	2.218	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c(F)c1	ZINC000548199279	673933036	/nfs/dbraw/zinc/93/30/36/673933036.db2.gz	OPEOEOYLAWGWQN-LBPRGKRZSA-N	-2	0	372.374	2.392	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000751215389	680160581	/nfs/dbraw/zinc/16/05/81/680160581.db2.gz	MLEOGLIYSUYZOB-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000760360874	680684159	/nfs/dbraw/zinc/68/41/59/680684159.db2.gz	HZHSEHYNBBBVEC-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1C(=O)[O-]	ZINC000267442328	329327967	/nfs/dbraw/zinc/32/79/67/329327967.db2.gz	PLKZNWHBEKGCRH-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c(F)c1	ZINC000275314273	330034088	/nfs/dbraw/zinc/03/40/88/330034088.db2.gz	ROCBGIOFPHWTMH-HOMQSWHASA-N	-2	0	358.366	2.006	20	30		FEEDRL
N#CCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)n1	ZINC000265561586	550011477	/nfs/dbraw/zinc/01/14/77/550011477.db2.gz	MAXPDWXQXMENBK-UHFFFAOYSA-N	-2	0	374.422	2.175	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)nn1CCC#N	ZINC000271097565	550340148	/nfs/dbraw/zinc/34/01/48/550340148.db2.gz	WXCOWHHLBADJNP-UHFFFAOYSA-N	-2	0	366.374	2.052	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Cl	ZINC000322180847	553767901	/nfs/dbraw/zinc/76/79/01/553767901.db2.gz	HGEOBSAHAKCNAZ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1	ZINC000826528267	601862300	/nfs/dbraw/zinc/86/23/00/601862300.db2.gz	SDAAPAGRPFZUFF-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1)C(=O)[O-]	ZINC000794887630	602071181	/nfs/dbraw/zinc/07/11/81/602071181.db2.gz	ACHSPEXQRQDUEJ-LLVKDONJSA-N	-2	0	369.402	2.419	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1	ZINC000833068233	602113384	/nfs/dbraw/zinc/11/33/84/602113384.db2.gz	RRNAPEKCPPLARB-UHFFFAOYSA-N	-2	0	362.323	2.357	20	30		FEEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1	ZINC000738501705	603368328	/nfs/dbraw/zinc/36/83/28/603368328.db2.gz	YDOJXCCSBLFDMV-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831031949	605272144	/nfs/dbraw/zinc/27/21/44/605272144.db2.gz	YXNXARWQSMNDBN-KBPBESRZSA-N	-2	0	354.366	2.101	20	30		FEEDRL
CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590034	673977221	/nfs/dbraw/zinc/97/72/21/673977221.db2.gz	NLSQRYITLNMSFO-ZANVPECISA-N	-2	0	360.382	2.394	20	30		FEEDRL
C[C@H]1CCC[C@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000548836390	673999705	/nfs/dbraw/zinc/99/97/05/673999705.db2.gz	CXXQWRAWIMDZRZ-BJOHPYRUSA-N	-2	0	358.366	2.148	20	30		FEEDRL
COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1C(=O)[O-]	ZINC000566715949	675237222	/nfs/dbraw/zinc/23/72/22/675237222.db2.gz	BEFKFIYBCQQEEO-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)n1	ZINC000129114214	544091178	/nfs/dbraw/zinc/09/11/78/544091178.db2.gz	YNEBBERWVJIXHV-UHFFFAOYSA-N	-2	0	366.402	2.418	20	30		FEEDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000268149750	329390400	/nfs/dbraw/zinc/39/04/00/329390400.db2.gz	UIPJKORUYWSDRK-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)ccc1C(=O)[O-]	ZINC000284987360	551684159	/nfs/dbraw/zinc/68/41/59/551684159.db2.gz	DZKOGGIMMVSVCG-UHFFFAOYSA-N	-2	0	362.411	2.317	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])o1	ZINC000287251284	551981147	/nfs/dbraw/zinc/98/11/47/551981147.db2.gz	POJDDXLEZZEDCL-UHFFFAOYSA-N	-2	0	361.379	2.250	20	30		FEEDRL
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nn1CCC#N	ZINC000504260472	561655295	/nfs/dbraw/zinc/65/52/95/561655295.db2.gz	NVADTVBJKNEKAM-UHFFFAOYSA-N	-2	0	368.802	2.258	20	30		FEEDRL
COc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])cc1OC	ZINC000326271726	553779606	/nfs/dbraw/zinc/77/96/06/553779606.db2.gz	VQACKYNFAJSENT-UHFFFAOYSA-N	-2	0	368.392	2.136	20	30		FEEDRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)[O-]	ZINC000463790767	560824315	/nfs/dbraw/zinc/82/43/15/560824315.db2.gz	ZPOLEJAVHYKUKY-CYBMUJFWSA-N	-2	0	359.407	2.407	20	30		FEEDRL
N#Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)ccc1Cl	ZINC000738425391	600053630	/nfs/dbraw/zinc/05/36/30/600053630.db2.gz	LCDBLDHOFGMGMZ-UHFFFAOYSA-N	-2	0	357.800	2.096	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000832152383	601327782	/nfs/dbraw/zinc/32/77/82/601327782.db2.gz	BTTXFWRRWFSTOB-WEVVVXLNSA-N	-2	0	358.375	2.465	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000737493970	601332581	/nfs/dbraw/zinc/33/25/81/601332581.db2.gz	PHUUHPGUUWNUAJ-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
N#CCCCOc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833065436	601837239	/nfs/dbraw/zinc/83/72/39/601837239.db2.gz	CVPYUHPYJNDBJU-UHFFFAOYSA-N	-2	0	367.408	2.325	20	30		FEEDRL
C[C@@H](Oc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1)C(=O)[O-]	ZINC000794866127	602068321	/nfs/dbraw/zinc/06/83/21/602068321.db2.gz	VXTXQNYYCGMWPB-SSDOTTSWSA-N	-2	0	360.317	2.320	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833366275	605419666	/nfs/dbraw/zinc/41/96/66/605419666.db2.gz	OZIVIFCKFBVDBE-UHFFFAOYSA-N	-2	0	367.354	2.492	20	30		FEEDRL
CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000820202988	606202627	/nfs/dbraw/zinc/20/26/27/606202627.db2.gz	NQHQMMWSVGHGIA-UHFFFAOYSA-N	-2	0	358.318	2.038	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000133760083	672114970	/nfs/dbraw/zinc/11/49/70/672114970.db2.gz	SSOXAVHOOHNWRS-UHFFFAOYSA-N	-2	0	355.278	2.251	20	30		FEEDRL
COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000916305064	685523357	/nfs/dbraw/zinc/52/33/57/685523357.db2.gz	KLNUDQBUKXNOAU-UHFFFAOYSA-N	-2	0	363.277	2.090	20	30		FEEDRL
CC1(C)CC[C@@]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1	ZINC000551911453	674171841	/nfs/dbraw/zinc/17/18/41/674171841.db2.gz	FHEOSSSCOKCZBB-HNNXBMFYSA-N	-2	0	358.366	2.148	20	30		FEEDRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000484975175	561309668	/nfs/dbraw/zinc/30/96/68/561309668.db2.gz	XLYZGRABEFGMOS-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000484977387	561309724	/nfs/dbraw/zinc/30/97/24/561309724.db2.gz	RVUYYBJMDXEZHM-UHFFFAOYSA-N	-2	0	360.391	2.385	20	30		FEEDRL
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000265592861	550012122	/nfs/dbraw/zinc/01/21/22/550012122.db2.gz	SDJBOOMLJNDOOV-UHFFFAOYSA-N	-2	0	362.411	2.419	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499282782	561547683	/nfs/dbraw/zinc/54/76/83/561547683.db2.gz	GHRZLWYUCIKRCD-UHFFFAOYSA-N	-2	0	363.351	2.290	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000506562891	561702071	/nfs/dbraw/zinc/70/20/71/561702071.db2.gz	QQZUUWZWYQENAK-UHFFFAOYSA-N	-2	0	374.418	2.410	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000520627659	562160633	/nfs/dbraw/zinc/16/06/33/562160633.db2.gz	RRDBTWUBLHSBJZ-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000463782894	560824117	/nfs/dbraw/zinc/82/41/17/560824117.db2.gz	ALTLRRHGFKISFA-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1OC	ZINC000467324527	560908593	/nfs/dbraw/zinc/90/85/93/560908593.db2.gz	ZFGRGCBQKCDCFU-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000471141324	560999175	/nfs/dbraw/zinc/99/91/75/560999175.db2.gz	FLSXUQXXQFPTPO-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000531780443	562456413	/nfs/dbraw/zinc/45/64/13/562456413.db2.gz	GGYYGTFIJHWQIM-UHFFFAOYSA-N	-2	0	354.413	2.070	20	30		FEEDRL
CC(C)[C@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000736354758	600242504	/nfs/dbraw/zinc/24/25/04/600242504.db2.gz	JLRPNQZNSBIGFY-LBPRGKRZSA-N	-2	0	371.393	2.113	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C#N	ZINC000738195425	600332258	/nfs/dbraw/zinc/33/22/58/600332258.db2.gz	IBFQTMUJMKLAMJ-UHFFFAOYSA-N	-2	0	358.379	2.401	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1c1ccc(C(=O)[O-])cc1	ZINC000828134062	600782055	/nfs/dbraw/zinc/78/20/55/600782055.db2.gz	CMFDCOCFQYSPQU-HNNXBMFYSA-N	-2	0	367.317	2.479	20	30		FEEDRL
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1	ZINC000833376689	605184708	/nfs/dbraw/zinc/18/47/08/605184708.db2.gz	ORALJPCQEGPKNS-UHFFFAOYSA-N	-2	0	365.367	2.086	20	30		FEEDRL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1	ZINC000013004773	670004815	/nfs/dbraw/zinc/00/48/15/670004815.db2.gz	OTNNXOHPHAJFIB-UHFFFAOYSA-N	-2	0	356.400	2.181	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000546707604	673812526	/nfs/dbraw/zinc/81/25/26/673812526.db2.gz	PYWZDAWLOARMBH-UHFFFAOYSA-N	-2	0	362.363	2.080	20	30		FEEDRL
N#CCCn1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)n1	ZINC000767735999	680924383	/nfs/dbraw/zinc/92/43/83/680924383.db2.gz	GVVRCEBRRKRFDJ-UHFFFAOYSA-N	-2	0	372.765	2.088	20	30		FEEDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N	ZINC000779849629	681760154	/nfs/dbraw/zinc/76/01/54/681760154.db2.gz	XIOZLLMCZNMPKS-VIFPVBQESA-N	-2	0	350.352	2.378	20	30		FEEDRL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000489310578	561407737	/nfs/dbraw/zinc/40/77/37/561407737.db2.gz	DORAOTUNCUFMDJ-UHFFFAOYSA-N	-2	0	350.352	2.437	20	30		FEEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)c([O-])c1	ZINC000806559041	674381081	/nfs/dbraw/zinc/38/10/81/674381081.db2.gz	SNZCLSHLBZWUIO-DUXPYHPUSA-N	-2	0	360.391	2.280	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC000826527981	601485764	/nfs/dbraw/zinc/48/57/64/601485764.db2.gz	BFHNKFLBECNWBW-RMKNXTFCSA-N	-2	0	374.422	2.408	20	30		FEEDRL
CSc1[n-]c(=O)c(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1C#N	ZINC000829752944	603927553	/nfs/dbraw/zinc/92/75/53/603927553.db2.gz	CTJOXXRNEMVUIJ-CYBMUJFWSA-N	-2	0	372.406	2.119	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000832988913	604857042	/nfs/dbraw/zinc/85/70/42/604857042.db2.gz	OFTRAYDANXUZRT-NSHDSACASA-N	-2	0	362.338	2.322	20	30		FEEDRL
CC[C@@H](NN=C(C)c1cc(Br)ccc1OCC(=O)[O-])C(=O)[O-]	ZINC000814936959	674889715	/nfs/dbraw/zinc/88/97/15/674889715.db2.gz	PFVASMRWRMBMAO-LLVKDONJSA-N	-2	0	373.203	2.089	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000741658482	673693493	/nfs/dbraw/zinc/69/34/93/673693493.db2.gz	YRJRDNIBQUBVOO-UHFFFAOYSA-N	-2	0	366.326	2.252	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768508084	680948624	/nfs/dbraw/zinc/94/86/24/680948624.db2.gz	KHQWLFSAHUBZFH-UHFFFAOYSA-N	-2	0	368.317	2.366	20	30		FEEDRL
O=C([N-]C1(C(F)F)CC1)C(F)(F)C(F)(F)C(=O)[N-]C1(C(F)F)CC1	ZINC000800337017	674043235	/nfs/dbraw/zinc/04/32/35/674043235.db2.gz	OSDFNPFFYUVXKP-UHFFFAOYSA-N	-2	0	368.224	2.085	20	30		FEEDRL
N#Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2	ZINC000013186561	324374463	/nfs/dbraw/zinc/37/44/63/324374463.db2.gz	CVIPIJLUECREIF-UHFFFAOYSA-N	-2	0	374.374	2.219	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1	ZINC000267996905	329375197	/nfs/dbraw/zinc/37/51/97/329375197.db2.gz	LMWRGNGICPAUIL-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1	ZINC000268020488	329377255	/nfs/dbraw/zinc/37/72/55/329377255.db2.gz	VNTRBOAUYMKMBF-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1C(=O)[O-]	ZINC000504223380	561654665	/nfs/dbraw/zinc/65/46/65/561654665.db2.gz	QMDTZDCFJOXASU-UHFFFAOYSA-N	-2	0	362.411	2.167	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(F)c1	ZINC000514822987	561981414	/nfs/dbraw/zinc/98/14/14/561981414.db2.gz	MKMOXDQUSFUYNB-MFKMUULPSA-N	-2	0	358.366	2.148	20	30		FEEDRL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000427098822	559747749	/nfs/dbraw/zinc/74/77/49/559747749.db2.gz	DSKIZRLVLDQYAI-UHFFFAOYSA-N	-2	0	363.420	2.483	20	30		FEEDRL
COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(C(=O)[O-])c2)cc1	ZINC000820832264	598148738	/nfs/dbraw/zinc/14/87/38/598148738.db2.gz	IPIZZZIBJJQLRX-QGZVFWFLSA-N	-2	0	366.373	2.075	20	30		FEEDRL
N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000739121339	599739836	/nfs/dbraw/zinc/73/98/36/599739836.db2.gz	NVYJJBBDSIFBON-UHFFFAOYSA-N	-2	0	358.278	2.252	20	30		FEEDRL
C=CCN1C(=O)N[C@@H](c2cccc(OCCC(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736106691	599983370	/nfs/dbraw/zinc/98/33/70/599983370.db2.gz	HVUFTGCEBYJZDM-INIZCTEOSA-N	-2	0	360.366	2.151	20	30		FEEDRL
C=CCN1C(=O)N[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)C(C(=O)[O-])=C1C	ZINC000736107548	599983375	/nfs/dbraw/zinc/98/33/75/599983375.db2.gz	YDLYMTZRHLLETI-XHDPSFHLSA-N	-2	0	360.366	2.149	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000610156511	600783993	/nfs/dbraw/zinc/78/39/93/600783993.db2.gz	YOPPDCKOFOEPKT-UHFFFAOYSA-N	-2	0	365.298	2.105	20	30		FEEDRL
CC1(C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)CCC1	ZINC000828042237	601142081	/nfs/dbraw/zinc/14/20/81/601142081.db2.gz	UQRRPNMCUIQLFY-UHFFFAOYSA-N	-2	0	369.377	2.011	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1	ZINC000833069049	604623088	/nfs/dbraw/zinc/62/30/88/604623088.db2.gz	LGZZXOWCKFYFGS-UHFFFAOYSA-N	-2	0	371.827	2.486	20	30		FEEDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000589542937	672530658	/nfs/dbraw/zinc/53/06/58/672530658.db2.gz	JNGHSVXUIHSEJL-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000762615424	680755899	/nfs/dbraw/zinc/75/58/99/680755899.db2.gz	KIGQHGMXUBPVIT-UHFFFAOYSA-N	-2	0	363.370	2.262	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000760361294	680684212	/nfs/dbraw/zinc/68/42/12/680684212.db2.gz	RGOQMDHELWCVCP-UHFFFAOYSA-N	-2	0	367.314	2.143	20	30		FEEDRL
Cc1cccc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)c1C#N	ZINC000484979626	561309745	/nfs/dbraw/zinc/30/97/45/561309745.db2.gz	VQOGHGRTNAIQKA-UHFFFAOYSA-N	-2	0	374.374	2.137	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C#N	ZINC000393163952	558620499	/nfs/dbraw/zinc/62/04/99/558620499.db2.gz	LGRSBKKYTVPUBI-UHFFFAOYSA-N	-2	0	359.407	2.425	20	30		FEEDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000475732170	561103793	/nfs/dbraw/zinc/10/37/93/561103793.db2.gz	GAKLWLPEGZOOON-UHFFFAOYSA-N	-2	0	351.771	2.414	20	30		FEEDRL
Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1C#N	ZINC000532737511	562487167	/nfs/dbraw/zinc/48/71/67/562487167.db2.gz	WLSWAGLHZNCJBT-UHFFFAOYSA-N	-2	0	374.374	2.137	20	30		FEEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2cnc(N3CCOCC3)s2)c([O-])c1	ZINC000806559042	674381008	/nfs/dbraw/zinc/38/10/08/674381008.db2.gz	SNZCLSHLBZWUIO-RQOWECAXSA-N	-2	0	360.391	2.280	20	30		FEEDRL
CC(C)Oc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cccc1C(=O)[O-]	ZINC000568793150	568219444	/nfs/dbraw/zinc/21/94/44/568219444.db2.gz	BJMLBEHNTLYJRZ-UHFFFAOYSA-N	-2	0	350.352	2.437	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832152409	601838872	/nfs/dbraw/zinc/83/88/72/601838872.db2.gz	DBICSADTRGJASZ-UHFFFAOYSA-N	-2	0	367.770	2.114	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1	ZINC000833068181	602117774	/nfs/dbraw/zinc/11/77/74/602117774.db2.gz	PTJYYIDVSMVNMA-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])c2nnn(C3CCN(C(=O)[O-])CC3)c2C)n1	ZINC000740203446	602213223	/nfs/dbraw/zinc/21/32/23/602213223.db2.gz	HCLOJMAERBKWTR-GFCCVEGCSA-N	-2	0	374.426	2.156	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])nc1	ZINC000740310236	603046878	/nfs/dbraw/zinc/04/68/78/603046878.db2.gz	CQXZRYHQFIXLPL-UHFFFAOYSA-N	-2	0	352.759	2.497	20	30		FEEDRL
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(F)c(NC(=O)[O-])c2)CCCC1	ZINC000833964887	605668321	/nfs/dbraw/zinc/66/83/21/605668321.db2.gz	SRKRGFGKTSVFTP-UHFFFAOYSA-N	-2	0	369.374	2.059	20	30		FEEDRL
O=C([N-]C[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400709	680046700	/nfs/dbraw/zinc/04/67/00/680046700.db2.gz	OQQKNUQKEKFEEG-PHDIDXHHSA-N	-2	0	370.240	2.188	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000751216453	680160477	/nfs/dbraw/zinc/16/04/77/680160477.db2.gz	KISYKGJNRXUBEJ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753015267	680270738	/nfs/dbraw/zinc/27/07/38/680270738.db2.gz	CJIGSFAFSWPFPN-UHFFFAOYSA-N	-2	0	368.361	2.387	20	30		FEEDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N	ZINC000760361495	680684164	/nfs/dbraw/zinc/68/41/64/680684164.db2.gz	XROQCDGZEYCSHM-UHFFFAOYSA-N	-2	0	354.315	2.129	20	30		FEEDRL
C=CCC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000776597897	681413624	/nfs/dbraw/zinc/41/36/24/681413624.db2.gz	UMMHASRWSLVSQT-RXMQYKEDSA-N	-2	0	359.272	2.080	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)c1	ZINC000177344567	327515447	/nfs/dbraw/zinc/51/54/47/327515447.db2.gz	CDGVSUGKYBTRIF-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000269083676	550152497	/nfs/dbraw/zinc/15/24/97/550152497.db2.gz	LQELCDPBCSOEPQ-UHFFFAOYSA-N	-2	0	366.374	2.148	20	30		FEEDRL
Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1C#N	ZINC000326581922	553781744	/nfs/dbraw/zinc/78/17/44/553781744.db2.gz	IQOLUXZSVJSXQY-UHFFFAOYSA-N	-2	0	353.306	2.039	20	30		FEEDRL
Cc1[n-][nH]c(=NC(=O)c2cc(Cl)cc(Br)c2[O-])c1C#N	ZINC000436612027	559946695	/nfs/dbraw/zinc/94/66/95/559946695.db2.gz	XHHFYYJPOMQKKS-UHFFFAOYSA-N	-2	0	355.579	2.964	20	30		FEEDRL
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1	ZINC000826527982	601485894	/nfs/dbraw/zinc/48/58/94/601485894.db2.gz	BFHNKFLBECNWBW-TWGQIWQCSA-N	-2	0	374.422	2.408	20	30		FEEDRL
O=C([O-])c1cc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c[nH]1	ZINC000833092714	601792243	/nfs/dbraw/zinc/79/22/43/601792243.db2.gz	LANBYTVFIDQKOT-HNQUOIGGSA-N	-2	0	356.378	2.147	20	30		FEEDRL
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1NC(=O)[O-]	ZINC000829961230	605343688	/nfs/dbraw/zinc/34/36/88/605343688.db2.gz	DDBGKQKJSVJJCM-UHFFFAOYSA-N	-2	0	359.363	2.075	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833366567	605419534	/nfs/dbraw/zinc/41/95/34/605419534.db2.gz	DKTGVPPLZQNKBG-UHFFFAOYSA-N	-2	0	367.354	2.492	20	30		FEEDRL
C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1	ZINC000730996416	673297883	/nfs/dbraw/zinc/29/78/83/673297883.db2.gz	ORFVDXLEXXJCLL-UHFFFAOYSA-N	-2	0	361.375	2.212	20	30		FEEDRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1	ZINC000753780445	680314185	/nfs/dbraw/zinc/31/41/85/680314185.db2.gz	QZXPANINBVLJEZ-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)n1	ZINC000129114445	544091420	/nfs/dbraw/zinc/09/14/20/544091420.db2.gz	VEZKKRMOQNVJGA-UHFFFAOYSA-N	-2	0	366.402	2.418	20	30		FEEDRL
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)[O-]	ZINC000504673434	561661103	/nfs/dbraw/zinc/66/11/03/561661103.db2.gz	LZVSHWUKVWYXIC-SNVBAGLBSA-N	-2	0	363.420	2.319	20	30		FEEDRL
N#CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000475785245	561105278	/nfs/dbraw/zinc/10/52/78/561105278.db2.gz	CQDZFXMZQAQURA-UHFFFAOYSA-N	-2	0	361.335	2.160	20	30		FEEDRL
O=C([O-])c1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1	ZINC000823391759	607460914	/nfs/dbraw/zinc/46/09/14/607460914.db2.gz	DJLMVJLJLOJEBQ-HYXAFXHYSA-N	-2	0	354.297	2.306	20	30		FEEDRL
CC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1CCCCC(=O)[O-]	ZINC000828134268	601376519	/nfs/dbraw/zinc/37/65/19/601376519.db2.gz	FOIUNODNVVYMCU-AWEZNQCLSA-N	-2	0	363.395	2.300	20	30		FEEDRL
Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(CNC(=O)[O-])n2)c1	ZINC000740167561	602728159	/nfs/dbraw/zinc/72/81/59/602728159.db2.gz	ACZLHGKUHKEHAG-NSHDSACASA-N	-2	0	358.379	2.180	20	30		FEEDRL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000558681195	674510315	/nfs/dbraw/zinc/51/03/15/674510315.db2.gz	ICKZCFUEJRDBNQ-UHFFFAOYSA-N	-2	0	352.755	2.416	20	30		FEEDRL
C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000746055635	604504087	/nfs/dbraw/zinc/50/40/87/604504087.db2.gz	YEDMFMCOJXVPCJ-UHFFFAOYSA-N	-2	0	353.327	2.238	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000746055340	604504288	/nfs/dbraw/zinc/50/42/88/604504288.db2.gz	FHVPGTYLMCTCAV-UHFFFAOYSA-N	-2	0	353.327	2.238	20	30		FEEDRL
COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(OC)c1C(=O)[O-]	ZINC000833734373	604859673	/nfs/dbraw/zinc/85/96/73/604859673.db2.gz	ABPXGHHDIZUJQN-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)CN(C(=O)[O-])c2ccccc2)n1	ZINC000830655527	605312303	/nfs/dbraw/zinc/31/23/03/605312303.db2.gz	TVXWVTXICGEBDN-ZDUSSCGKSA-N	-2	0	373.390	2.356	20	30		FEEDRL
CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CC(=O)[O-]	ZINC000548542716	673968414	/nfs/dbraw/zinc/96/84/14/673968414.db2.gz	LGJDJKAMQANAHZ-JTQLQIEISA-N	-2	0	360.382	2.252	20	30		FEEDRL
N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1	ZINC000748673635	679986387	/nfs/dbraw/zinc/98/63/87/679986387.db2.gz	FGZQQBASZFLDGA-UHFFFAOYSA-N	-2	0	358.375	2.252	20	30		FEEDRL
CC(C)C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749387580	680045580	/nfs/dbraw/zinc/04/55/80/680045580.db2.gz	AODGPTNVUUKGTN-LURJTMIESA-N	-2	0	372.256	2.434	20	30		FEEDRL
O=C([N-]C[C@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400712	680046664	/nfs/dbraw/zinc/04/66/64/680046664.db2.gz	OQQKNUQKEKFEEG-RITPCOANSA-N	-2	0	370.240	2.188	20	30		FEEDRL
COc1ccc(OCCCS(=O)(=O)[N-]c2cc(C#N)ccc2[O-])cc1	ZINC000751215978	680160614	/nfs/dbraw/zinc/16/06/14/680160614.db2.gz	CJYSBSZTQZSQOP-UHFFFAOYSA-N	-2	0	362.407	2.483	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c([O-])c(F)c2)n1	ZINC000759537246	680654833	/nfs/dbraw/zinc/65/48/33/680654833.db2.gz	DCCUYCPUXFZTMC-VIFPVBQESA-N	-2	0	352.318	2.469	20	30		FEEDRL
Cn1nc(Br)cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000782348439	682031531	/nfs/dbraw/zinc/03/15/31/682031531.db2.gz	RECRPJOZWIYBPR-HYXAFXHYSA-N	-2	0	351.156	2.483	20	30		FEEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC000128588501	544061184	/nfs/dbraw/zinc/06/11/84/544061184.db2.gz	NMSULNDQDIUGOY-UHFFFAOYSA-N	-2	0	356.281	2.475	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1	ZINC000484942730	561309066	/nfs/dbraw/zinc/30/90/66/561309066.db2.gz	FCRMNJQBWJJEKC-UHFFFAOYSA-N	-2	0	371.296	2.471	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000485256181	561315872	/nfs/dbraw/zinc/31/58/72/561315872.db2.gz	CBPJIMBBIAEYGL-UHFFFAOYSA-N	-2	0	350.327	2.205	20	30		FEEDRL
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000494604432	561472479	/nfs/dbraw/zinc/47/24/79/561472479.db2.gz	YEAMHQIEBRIZDF-UHFFFAOYSA-N	-2	0	352.393	2.436	20	30		FEEDRL
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2O)C1=O	ZINC000279205905	550864670	/nfs/dbraw/zinc/86/46/70/550864670.db2.gz	VKVMCAFLWHANEB-GOSISDBHSA-N	-2	0	363.414	2.414	20	30		FEEDRL
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000328269357	553793752	/nfs/dbraw/zinc/79/37/52/553793752.db2.gz	FMAUMUCTFSORGT-UHFFFAOYSA-N	-2	0	362.363	2.074	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000391509460	558614401	/nfs/dbraw/zinc/61/44/01/558614401.db2.gz	DOXXRWQSZGEOAQ-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000739131639	600784720	/nfs/dbraw/zinc/78/47/20/600784720.db2.gz	DFLFVKSBJOXDHH-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
CCOc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1OCC(=O)[O-]	ZINC000830038101	601443609	/nfs/dbraw/zinc/44/36/09/601443609.db2.gz	LCJPASVABLUOHX-UHFFFAOYSA-N	-2	0	356.334	2.378	20	30		FEEDRL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-]	ZINC000833067394	602111887	/nfs/dbraw/zinc/11/18/87/602111887.db2.gz	CGHAKTPNBSPTPF-UHFFFAOYSA-N	-2	0	353.337	2.027	20	30		FEEDRL
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833067928	602119544	/nfs/dbraw/zinc/11/95/44/602119544.db2.gz	KIVBPNCFPVYOJA-UHFFFAOYSA-N	-2	0	350.327	2.227	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])c2nnn(C3CCN(C(=O)[O-])CC3)c2C)n1	ZINC000740203450	602212904	/nfs/dbraw/zinc/21/29/04/602212904.db2.gz	HCLOJMAERBKWTR-LBPRGKRZSA-N	-2	0	374.426	2.156	20	30		FEEDRL
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC(=O)[O-])c2ccccc2)n1	ZINC000740206663	602935185	/nfs/dbraw/zinc/93/51/85/602935185.db2.gz	WFEABXNCWAJCKA-JSGCOSHPSA-N	-2	0	373.390	2.180	20	30		FEEDRL
C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749145639	605164056	/nfs/dbraw/zinc/16/40/56/605164056.db2.gz	LIIAENGTINKURT-UHFFFAOYSA-N	-2	0	367.329	2.476	20	30		FEEDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1F	ZINC000751215384	680160560	/nfs/dbraw/zinc/16/05/60/680160560.db2.gz	LXQLEKIPDRXNQT-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000793403542	682886740	/nfs/dbraw/zinc/88/67/40/682886740.db2.gz	BOQXUCUCZMXBFZ-UHFFFAOYSA-N	-2	0	350.327	2.210	20	30		FEEDRL