smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)s1	ZINC000329254802	553911737	/nfs/dbraw/zinc/91/17/37/553911737.db2.gz	DDINOHHGDPJDEG-NSHDSACASA-N	-1	2	369.472	2.112	20	30		FEEDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000463775263	560823745	/nfs/dbraw/zinc/82/37/45/560823745.db2.gz	NSQKWQLPCGRTLJ-UHFFFAOYSA-N	-1	2	362.363	2.074	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000827355594	604242267	/nfs/dbraw/zinc/24/22/67/604242267.db2.gz	IYFTTXURBLRJCO-GARJFASQSA-N	-1	2	365.411	2.322	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000827355594	604242270	/nfs/dbraw/zinc/24/22/70/604242270.db2.gz	IYFTTXURBLRJCO-GARJFASQSA-N	-1	2	365.411	2.322	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1CCC#N	ZINC000271066602	550337123	/nfs/dbraw/zinc/33/71/23/550337123.db2.gz	MTXYNCUFCGJCNU-UHFFFAOYSA-N	-1	2	362.411	2.221	20	30		FEEDLM
Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000438728591	559982961	/nfs/dbraw/zinc/98/29/61/559982961.db2.gz	YKMLOZNFKRSZAT-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
O=C([O-])CCNN=Cc1cc(Br)c(O)c(Br)c1	ZINC000821524866	597742581	/nfs/dbraw/zinc/74/25/81/597742581.db2.gz	IGLALHJUXZWTAK-UHFFFAOYSA-N	-1	2	366.009	2.315	20	30		FEEDLM
N#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000328336636	673063280	/nfs/dbraw/zinc/06/32/80/673063280.db2.gz	PVYLNJHFAAOEDJ-UHFFFAOYSA-N	-1	2	368.317	2.366	20	30		FEEDLM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N	ZINC000484537536	561299360	/nfs/dbraw/zinc/29/93/60/561299360.db2.gz	HXTZWCNUBKNZTB-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427328112	559753370	/nfs/dbraw/zinc/75/33/70/559753370.db2.gz	BVBBIATYEWDYHD-UHFFFAOYSA-N	-1	2	368.317	2.344	20	30		FEEDLM
CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000433493053	559883074	/nfs/dbraw/zinc/88/30/74/559883074.db2.gz	XIXBICXDSIXCCP-UHFFFAOYSA-N	-1	2	362.363	2.162	20	30		FEEDLM
Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C(=O)[O-]	ZINC000471114733	560998558	/nfs/dbraw/zinc/99/85/58/560998558.db2.gz	FXDNDLUXYJVUIL-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000736089514	600900395	/nfs/dbraw/zinc/90/03/95/600900395.db2.gz	LTBDXEZLXAODGH-UHFFFAOYSA-N	-1	2	355.368	2.398	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000827355600	604242138	/nfs/dbraw/zinc/24/21/38/604242138.db2.gz	IYFTTXURBLRJCO-OUAUKWLOSA-N	-1	2	365.411	2.322	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000827355600	604242140	/nfs/dbraw/zinc/24/21/40/604242140.db2.gz	IYFTTXURBLRJCO-OUAUKWLOSA-N	-1	2	365.411	2.322	20	30		FEEDLM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064345	605066944	/nfs/dbraw/zinc/06/69/44/605066944.db2.gz	FXMIAKZAQWYVME-STQMWFEESA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064345	605066950	/nfs/dbraw/zinc/06/69/50/605066950.db2.gz	FXMIAKZAQWYVME-STQMWFEESA-N	-1	2	372.406	2.150	20	30		FEEDLM
COc1ccc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000504666499	561661051	/nfs/dbraw/zinc/66/10/51/561661051.db2.gz	UZZRZIAEJXIBOX-UHFFFAOYSA-N	-1	2	368.317	2.344	20	30		FEEDLM
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000326479913	553780998	/nfs/dbraw/zinc/78/09/98/553780998.db2.gz	GDQAJURGAYNSEF-UHFFFAOYSA-N	-1	2	365.392	2.077	20	30		FEEDLM
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O	ZINC000329118247	553883408	/nfs/dbraw/zinc/88/34/08/553883408.db2.gz	OIBFCWRJAXOGLP-TXEJJXNPSA-N	-1	2	367.471	2.294	20	30		FEEDLM
CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833487105	604998732	/nfs/dbraw/zinc/99/87/32/604998732.db2.gz	DOLNMPOFJPJVMA-VIFPVBQESA-N	-1	2	355.441	2.019	20	30		FEEDLM
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1	ZINC000322159336	553767878	/nfs/dbraw/zinc/76/78/78/553767878.db2.gz	GUJDHFZYJDMKOO-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1Cl	ZINC000437003203	559959393	/nfs/dbraw/zinc/95/93/93/559959393.db2.gz	ZLISWFSCBTZBKP-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
Cc1cc[nH]c2nc([C@@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)nc1-2	ZINC000832983892	601143063	/nfs/dbraw/zinc/14/30/63/601143063.db2.gz	HAJXPWFVWLREAL-ZDUSSCGKSA-N	-1	2	350.334	2.220	20	30		FEEDLM
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1	ZINC000756939303	680506357	/nfs/dbraw/zinc/50/63/57/680506357.db2.gz	WHNNNAFGVUWDJT-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000779849628	681759994	/nfs/dbraw/zinc/75/99/94/681759994.db2.gz	XIOZLLMCZNMPKS-SECBINFHSA-N	-1	2	350.352	2.378	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)nn1CCC#N	ZINC000271064714	550336512	/nfs/dbraw/zinc/33/65/12/550336512.db2.gz	MIKIGVUGVFZPAK-UHFFFAOYSA-N	-1	2	366.374	2.052	20	30		FEEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000322732807	553768560	/nfs/dbraw/zinc/76/85/60/553768560.db2.gz	YGYMZKAXFNERSH-UHFFFAOYSA-N	-1	2	352.393	2.436	20	30		FEEDLM
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000375608107	558056309	/nfs/dbraw/zinc/05/63/09/558056309.db2.gz	PXRWYDZKPGOACZ-UHFFFAOYSA-N	-1	2	361.408	2.220	20	30		FEEDLM
Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cccc1C(=O)[O-]	ZINC000471113417	560998548	/nfs/dbraw/zinc/99/85/48/560998548.db2.gz	OTQMYNWHASHSHG-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000533691544	562516283	/nfs/dbraw/zinc/51/62/83/562516283.db2.gz	XCTFJVSELPDBFQ-UHFFFAOYSA-N	-1	2	368.317	2.344	20	30		FEEDLM
C#CCOc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000775298450	681294698	/nfs/dbraw/zinc/29/46/98/681294698.db2.gz	RWSYQYJSTVBJNX-UHFFFAOYSA-N	-1	2	361.375	2.212	20	30		FEEDLM
O=c1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1	ZINC000289458440	552324692	/nfs/dbraw/zinc/32/46/92/552324692.db2.gz	PVGCTHCWNAKWBX-ZDUSSCGKSA-N	-1	2	366.343	2.228	20	30		FEEDLM
CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000439246055	559990673	/nfs/dbraw/zinc/99/06/73/559990673.db2.gz	KGNHGBGFLOYKCA-UHFFFAOYSA-N	-1	2	351.409	2.469	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)CC2(NC(=O)[O-])CCC2)n1	ZINC000827355585	604254928	/nfs/dbraw/zinc/25/49/28/604254928.db2.gz	IVMZOVLXJYPDRL-SECBINFHSA-N	-1	2	351.384	2.076	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)CC2(NC(=O)[O-])CCC2)n1	ZINC000827355585	604254930	/nfs/dbraw/zinc/25/49/30/604254930.db2.gz	IVMZOVLXJYPDRL-SECBINFHSA-N	-1	2	351.384	2.076	20	30		FEEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000325999691	553778676	/nfs/dbraw/zinc/77/86/76/553778676.db2.gz	IODVHQRSRKUTOS-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000523536138	562214862	/nfs/dbraw/zinc/21/48/62/562214862.db2.gz	GSBOTVZCZARYEK-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(CCC#N)n1	ZINC000738463273	600053928	/nfs/dbraw/zinc/05/39/28/600053928.db2.gz	JUTWQLACVKICKW-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-]	ZINC000738364010	600054575	/nfs/dbraw/zinc/05/45/75/600054575.db2.gz	SFGURPGYRLMRRV-UHFFFAOYSA-N	-1	2	357.800	2.476	20	30		FEEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)nc1-2	ZINC000832983891	601142868	/nfs/dbraw/zinc/14/28/68/601142868.db2.gz	HAJXPWFVWLREAL-CYBMUJFWSA-N	-1	2	350.334	2.220	20	30		FEEDLM
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000833741579	605127466	/nfs/dbraw/zinc/12/74/66/605127466.db2.gz	SGHLHFFAZWXXPO-UHFFFAOYSA-N	-1	2	367.364	2.335	20	30		FEEDLM
O=C([O-])c1ccc2c(C=Nn3c(C(F)(F)F)n[nH]c3=S)n[nH]c2c1	ZINC000765556406	680846551	/nfs/dbraw/zinc/84/65/51/680846551.db2.gz	MOVFYVGLPROOOA-UHFFFAOYSA-N	-1	2	356.289	2.042	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507616535	561735459	/nfs/dbraw/zinc/73/54/59/561735459.db2.gz	LFYJDWMVMWZHEP-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
CC(C)(C)n1ncc2c1nc(N=NC1CCC(NC(=O)[O-])CC1)[nH]c2=O	ZINC000823875765	605170453	/nfs/dbraw/zinc/17/04/53/605170453.db2.gz	DWARIFRCOKVHIN-UHFFFAOYSA-N	-1	2	361.406	2.265	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000751214223	680160275	/nfs/dbraw/zinc/16/02/75/680160275.db2.gz	JEZVAPNAPVGVFG-UHFFFAOYSA-N	-1	2	365.338	2.042	20	30		FEEDLM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c(O)c(F)c2)n1	ZINC000759537241	680654959	/nfs/dbraw/zinc/65/49/59/680654959.db2.gz	DCCUYCPUXFZTMC-SECBINFHSA-N	-1	2	352.318	2.469	20	30		FEEDLM
N#Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1O	ZINC000190933667	328241083	/nfs/dbraw/zinc/24/10/83/328241083.db2.gz	ITOJMRUQWOPPPA-UHFFFAOYSA-N	-1	2	351.406	2.391	20	30		FEEDLM
Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1C(=O)[O-]	ZINC000479255175	561185964	/nfs/dbraw/zinc/18/59/64/561185964.db2.gz	LISGGLHPTPTYBL-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccccc2C#N)c1OC	ZINC000484984323	561309929	/nfs/dbraw/zinc/30/99/29/561309929.db2.gz	DJFWJSBTMDOMOW-UHFFFAOYSA-N	-1	2	362.363	2.074	20	30		FEEDLM
CCc1nc(NS(=O)(=O)c2cc(C#N)ccc2C)sc1C(=O)[O-]	ZINC000833674560	604991003	/nfs/dbraw/zinc/99/10/03/604991003.db2.gz	DFPJQKHZXLOVJJ-UHFFFAOYSA-N	-1	2	351.409	2.385	20	30		FEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749144946	605164347	/nfs/dbraw/zinc/16/43/47/605164347.db2.gz	GSMVDMLUEPGAIH-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
N#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000324850799	673047504	/nfs/dbraw/zinc/04/75/04/673047504.db2.gz	GZHGJOOWUMYJLL-UHFFFAOYSA-N	-1	2	350.327	2.227	20	30		FEEDLM
Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000525480725	562248868	/nfs/dbraw/zinc/24/88/68/562248868.db2.gz	JPIQZUDBFJYFLK-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000547871594	602111635	/nfs/dbraw/zinc/11/16/35/602111635.db2.gz	RLCGUIYUNGLWKF-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832859752	604625253	/nfs/dbraw/zinc/62/52/53/604625253.db2.gz	VSDBCJLZMSXOGP-UHFFFAOYSA-N	-1	2	351.409	2.141	20	30		FEEDLM
CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000820108390	606201657	/nfs/dbraw/zinc/20/16/57/606201657.db2.gz	KENQDOMURSQPSD-UHFFFAOYSA-N	-1	2	372.345	2.113	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1	ZINC000742232408	673714809	/nfs/dbraw/zinc/71/48/09/673714809.db2.gz	VNERUVVHXDMYNO-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc(C(=O)[O-])c1	ZINC000507622812	561735559	/nfs/dbraw/zinc/73/55/59/561735559.db2.gz	VJGTXRSSUUYDPR-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831031951	605272048	/nfs/dbraw/zinc/27/20/48/605272048.db2.gz	YXNXARWQSMNDBN-UONOGXRCSA-N	-1	2	354.366	2.101	20	30		FEEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831031950	605272113	/nfs/dbraw/zinc/27/21/13/605272113.db2.gz	YXNXARWQSMNDBN-KGLIPLIRSA-N	-1	2	354.366	2.101	20	30		FEEDLM
CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@@H]1CNC(=O)[O-])[nH]c2=O	ZINC000823877374	605170383	/nfs/dbraw/zinc/17/03/83/605170383.db2.gz	XBTRFCPZXUVBEZ-SECBINFHSA-N	-1	2	361.406	2.123	20	30		FEEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831031952	605272200	/nfs/dbraw/zinc/27/22/00/605272200.db2.gz	YXNXARWQSMNDBN-ZIAGYGMSSA-N	-1	2	354.366	2.101	20	30		FEEDLM
C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000775297832	681294677	/nfs/dbraw/zinc/29/46/77/681294677.db2.gz	AAOBZEYBXHADBZ-UHFFFAOYSA-N	-1	2	361.375	2.206	20	30		FEEDLM
N#Cc1c(F)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000776561118	681405450	/nfs/dbraw/zinc/40/54/50/681405450.db2.gz	HVANMGJTNGBGTR-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(Cl)c1	ZINC000391319042	558614223	/nfs/dbraw/zinc/61/42/23/558614223.db2.gz	DNDDVOVUDNBSKK-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000825631719	601862369	/nfs/dbraw/zinc/86/23/69/601862369.db2.gz	KLAKIGWOZCRZHD-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000827355596	604242046	/nfs/dbraw/zinc/24/20/46/604242046.db2.gz	IYFTTXURBLRJCO-GMTAPVOTSA-N	-1	2	365.411	2.322	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000827355596	604242049	/nfs/dbraw/zinc/24/20/49/604242049.db2.gz	IYFTTXURBLRJCO-GMTAPVOTSA-N	-1	2	365.411	2.322	20	30		FEEDLM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066488	605075975	/nfs/dbraw/zinc/07/59/75/605075975.db2.gz	XOYREJDMSZIYQM-GHMZBOCLSA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066488	605075978	/nfs/dbraw/zinc/07/59/78/605075978.db2.gz	XOYREJDMSZIYQM-GHMZBOCLSA-N	-1	2	363.370	2.381	20	30		FEEDLM
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cc(O)cc2F)n1	ZINC000746983748	673900215	/nfs/dbraw/zinc/90/02/15/673900215.db2.gz	AOVQMTOGTQLWCP-SECBINFHSA-N	-1	2	352.318	2.469	20	30		FEEDLM
N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000768503840	680948584	/nfs/dbraw/zinc/94/85/84/680948584.db2.gz	KUKVRECCXMKZBH-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000299147223	553521590	/nfs/dbraw/zinc/52/15/90/553521590.db2.gz	KWBYPGWYZCOUQP-UHFFFAOYSA-N	-1	2	363.395	2.183	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1CCC#N	ZINC000504222987	561654735	/nfs/dbraw/zinc/65/47/35/561654735.db2.gz	LKOOXOFGNBGBJO-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cn1	ZINC000739129709	600237396	/nfs/dbraw/zinc/23/73/96/600237396.db2.gz	AQFAWPOZTPNFRA-UHFFFAOYSA-N	-1	2	369.305	2.054	20	30		FEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000741661489	600684899	/nfs/dbraw/zinc/68/48/99/600684899.db2.gz	ZHBFWVFEHDFPOG-UHFFFAOYSA-N	-1	2	355.368	2.398	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1C#N	ZINC000832770906	601435904	/nfs/dbraw/zinc/43/59/04/601435904.db2.gz	MROGLIMAYLFISL-UHFFFAOYSA-N	-1	2	350.381	2.096	20	30		FEEDLM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1C#N	ZINC000484957240	561309384	/nfs/dbraw/zinc/30/93/84/561309384.db2.gz	BJNGHQZFZSWREG-UHFFFAOYSA-N	-1	2	360.391	2.385	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1CCC#N	ZINC000292015489	552684843	/nfs/dbraw/zinc/68/48/43/552684843.db2.gz	ZGVNVUYRMCEPCX-UHFFFAOYSA-N	-1	2	366.374	2.052	20	30		FEEDLM
C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852673573	682317732	/nfs/dbraw/zinc/31/77/32/682317732.db2.gz	KRTICNZUVRQFMT-OAGGEKHMSA-N	-1	2	356.388	2.460	20	30		FEEDLM
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1	ZINC000739666149	599900982	/nfs/dbraw/zinc/90/09/82/599900982.db2.gz	KIHUSDQEPREKMT-CYBMUJFWSA-N	-1	2	363.439	2.248	20	30		FEEDLM
CC(C)(C)/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833430910	604998659	/nfs/dbraw/zinc/99/86/59/604998659.db2.gz	DGZVZTPTCHINQF-MRVPVSSYSA-N	-1	2	355.441	2.161	20	30		FEEDLM
CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@H]1CNC(=O)[O-])[nH]c2=O	ZINC000823877375	605170415	/nfs/dbraw/zinc/17/04/15/605170415.db2.gz	XBTRFCPZXUVBEZ-VIFPVBQESA-N	-1	2	361.406	2.123	20	30		FEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000471135680	560999051	/nfs/dbraw/zinc/99/90/51/560999051.db2.gz	FLAIMWSKVRCOAF-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N	ZINC000738196991	600365622	/nfs/dbraw/zinc/36/56/22/600365622.db2.gz	VRBPIZDCUGHOGX-GFCCVEGCSA-N	-1	2	355.375	2.209	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000827355598	604242033	/nfs/dbraw/zinc/24/20/33/604242033.db2.gz	IYFTTXURBLRJCO-HBNTYKKESA-N	-1	2	365.411	2.322	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000827355598	604242036	/nfs/dbraw/zinc/24/20/36/604242036.db2.gz	IYFTTXURBLRJCO-HBNTYKKESA-N	-1	2	365.411	2.322	20	30		FEEDLM
CC(C)Oc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1C#N	ZINC000827058735	605009731	/nfs/dbraw/zinc/00/97/31/605009731.db2.gz	UCEJSNLDGNYFRO-UHFFFAOYSA-N	-1	2	367.408	2.301	20	30		FEEDLM
C[C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000811528939	674611717	/nfs/dbraw/zinc/61/17/17/674611717.db2.gz	OUCCQHDRYGSLGU-DKXJUACHSA-N	-1	2	352.250	2.191	20	30		FEEDLM
C[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000811528939	674611723	/nfs/dbraw/zinc/61/17/23/674611723.db2.gz	OUCCQHDRYGSLGU-DKXJUACHSA-N	-1	2	352.250	2.191	20	30		FEEDLM
CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000795360569	683044612	/nfs/dbraw/zinc/04/46/12/683044612.db2.gz	CIPZMPAKJQEDLV-UHFFFAOYSA-N	-1	2	367.333	2.377	20	30		FEEDLM
Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(OCC[NH+](C)C)c1	ZINC000127396248	543990223	/nfs/dbraw/zinc/99/02/23/543990223.db2.gz	ZCBMNEVVTZTSDQ-UHFFFAOYSA-N	-1	2	360.439	2.003	20	30		FEEDLM
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000484978995	561309766	/nfs/dbraw/zinc/30/97/66/561309766.db2.gz	GQKOFHVENFWNQQ-UHFFFAOYSA-N	-1	2	361.379	2.239	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c(F)c1	ZINC000739132390	600543331	/nfs/dbraw/zinc/54/33/31/600543331.db2.gz	NRWRGJZJAKNNCD-UHFFFAOYSA-N	-1	2	360.326	2.073	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000829890352	601237395	/nfs/dbraw/zinc/23/73/95/601237395.db2.gz	PBOIDIHPMPVOIQ-GMTAPVOTSA-N	-1	2	350.396	2.387	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000829890352	601237397	/nfs/dbraw/zinc/23/73/97/601237397.db2.gz	PBOIDIHPMPVOIQ-GMTAPVOTSA-N	-1	2	350.396	2.387	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)CC2(NC(=O)[O-])CCC2)n1	ZINC000827355590	604254773	/nfs/dbraw/zinc/25/47/73/604254773.db2.gz	IVMZOVLXJYPDRL-VIFPVBQESA-N	-1	2	351.384	2.076	20	30		FEEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)CC2(NC(=O)[O-])CCC2)n1	ZINC000827355590	604254774	/nfs/dbraw/zinc/25/47/74/604254774.db2.gz	IVMZOVLXJYPDRL-VIFPVBQESA-N	-1	2	351.384	2.076	20	30		FEEDLM
CC(C)(C[N-]C(=O)C(F)(F)C(F)F)CNC(=O)C(F)(F)C(F)F	ZINC000003147716	669943559	/nfs/dbraw/zinc/94/35/59/669943559.db2.gz	ASOQHOZJYRYIBL-UHFFFAOYSA-N	-1	2	358.229	2.046	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000525481876	562249219	/nfs/dbraw/zinc/24/92/19/562249219.db2.gz	PBRKJHMMFGJLIN-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743265547	673754469	/nfs/dbraw/zinc/75/44/69/673754469.db2.gz	ZDVQJCHQZWWCIE-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
N#Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000751215349	680160291	/nfs/dbraw/zinc/16/02/91/680160291.db2.gz	KJAULCKQAUUFQW-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F	ZINC000416951790	559339998	/nfs/dbraw/zinc/33/99/98/559339998.db2.gz	GPPZIMFISRKWOL-MRVPVSSYSA-N	-1	2	352.290	2.327	20	30		FEEDLM
CC(C)c1nnc(SC=C(O)C(C(=O)[O-])c2nc3ccccc3[nH]2)n1C	ZINC000736532035	599762892	/nfs/dbraw/zinc/76/28/92/599762892.db2.gz	JOFBCPBNJVOTAA-UHFFFAOYSA-N	-1	2	373.438	2.434	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(CCC#N)n1	ZINC000738463214	600891752	/nfs/dbraw/zinc/89/17/52/600891752.db2.gz	DXOXOZYUAQTMSO-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
N#CCc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000833068701	601964781	/nfs/dbraw/zinc/96/47/81/601964781.db2.gz	AKAHQSVYCBSKBE-UHFFFAOYSA-N	-1	2	351.771	2.300	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)C2(CNC(=O)[O-])CCCC2)n1	ZINC000827355751	603786435	/nfs/dbraw/zinc/78/64/35/603786435.db2.gz	KRAILAVIDDXBTE-JTQLQIEISA-N	-1	2	365.411	2.324	20	30		FEEDLM
CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833487104	604998682	/nfs/dbraw/zinc/99/86/82/604998682.db2.gz	DOLNMPOFJPJVMA-SECBINFHSA-N	-1	2	355.441	2.019	20	30		FEEDLM
Cc1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)sc1C(=O)[O-]	ZINC000738864727	600360526	/nfs/dbraw/zinc/36/05/26/600360526.db2.gz	ANMZGEUTFRWNQM-UHFFFAOYSA-N	-1	2	357.800	2.476	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C#N	ZINC000832770852	604734943	/nfs/dbraw/zinc/73/49/43/604734943.db2.gz	KEESIRAHCAVGSK-UHFFFAOYSA-N	-1	2	364.408	2.107	20	30		FEEDLM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2cc(F)ccc2s1	ZINC000833961765	606110503	/nfs/dbraw/zinc/11/05/03/606110503.db2.gz	UWDMAQWFEMKKML-NSHDSACASA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@@H](C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2cc(F)ccc2s1	ZINC000833961765	606110505	/nfs/dbraw/zinc/11/05/05/606110505.db2.gz	UWDMAQWFEMKKML-NSHDSACASA-N	-1	2	363.370	2.381	20	30		FEEDLM
COCc1nc(Cl)cc(N=NCc2cc(OC)c(O)c([N+](=O)[O-])c2)n1	ZINC000814976649	674891836	/nfs/dbraw/zinc/89/18/36/674891836.db2.gz	ZDGUEJLYGLVQOY-UHFFFAOYSA-N	-1	2	367.749	2.345	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(F)c1	ZINC000571868127	600544301	/nfs/dbraw/zinc/54/43/01/600544301.db2.gz	VVKMJXZLXOVZMY-UHFFFAOYSA-N	-1	2	364.354	2.352	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000829890351	601237376	/nfs/dbraw/zinc/23/73/76/601237376.db2.gz	PBOIDIHPMPVOIQ-GARJFASQSA-N	-1	2	350.396	2.387	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000829890351	601237377	/nfs/dbraw/zinc/23/73/77/601237377.db2.gz	PBOIDIHPMPVOIQ-GARJFASQSA-N	-1	2	350.396	2.387	20	30		FEEDLM
O=C([O-])C(C(O)=Cn1c(=O)sc2ccccc21)c1nc2ccccc2[nH]1	ZINC000833163641	604747752	/nfs/dbraw/zinc/74/77/52/604747752.db2.gz	KVZONQITDUOMQG-UHFFFAOYSA-N	-1	2	367.386	2.466	20	30		FEEDLM
Cn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-]	ZINC000833053079	601783907	/nfs/dbraw/zinc/78/39/07/601783907.db2.gz	OUGQNKIMCKUCBR-UHFFFAOYSA-N	-1	2	373.312	2.415	20	30		FEEDLM
CC(C)[C@](C)(CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749390896	680045598	/nfs/dbraw/zinc/04/55/98/680045598.db2.gz	FQXXSXJJHSORNC-JTQLQIEISA-N	-1	2	372.256	2.434	20	30		FEEDLM
O=C([N-][C@H]1CCC[C@H]1CNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400715	680046657	/nfs/dbraw/zinc/04/66/57/680046657.db2.gz	OQQKNUQKEKFEEG-WDSKDSINSA-N	-1	2	370.240	2.188	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1CCC#N	ZINC000504228727	561654686	/nfs/dbraw/zinc/65/46/86/561654686.db2.gz	AILFRTUQIPZQOA-UHFFFAOYSA-N	-1	2	362.411	2.221	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000438761522	559983264	/nfs/dbraw/zinc/98/32/64/559983264.db2.gz	BEEXDYJWYYSQEV-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000736090268	600900584	/nfs/dbraw/zinc/90/05/84/600900584.db2.gz	YECYLMPCHPKMIZ-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1C(=O)[O-]	ZINC000833052679	601783703	/nfs/dbraw/zinc/78/37/03/601783703.db2.gz	GZZRGLVQXIYUKI-UHFFFAOYSA-N	-1	2	373.312	2.415	20	30		FEEDLM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064342	605067240	/nfs/dbraw/zinc/06/72/40/605067240.db2.gz	FXMIAKZAQWYVME-CHWSQXEVSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064342	605067251	/nfs/dbraw/zinc/06/72/51/605067251.db2.gz	FXMIAKZAQWYVME-CHWSQXEVSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(Cl)c1	ZINC000436695014	559949031	/nfs/dbraw/zinc/94/90/31/559949031.db2.gz	CPNYKALUVWYSOT-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1C#N	ZINC000740020398	602593264	/nfs/dbraw/zinc/59/32/64/602593264.db2.gz	DKMIQEGBWRFKAW-UHFFFAOYSA-N	-1	2	358.379	2.401	20	30		FEEDLM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066503	605075870	/nfs/dbraw/zinc/07/58/70/605075870.db2.gz	XOYREJDMSZIYQM-WDEREUQCSA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066503	605075874	/nfs/dbraw/zinc/07/58/74/605075874.db2.gz	XOYREJDMSZIYQM-WDEREUQCSA-N	-1	2	363.370	2.381	20	30		FEEDLM
COc1ccc(-c2nc(SCCCC#N)[nH]c(=O)c2-c2nn[n-]n2)cc1	ZINC000821731904	607236801	/nfs/dbraw/zinc/23/68/01/607236801.db2.gz	IMZWQNZTMLRTGT-UHFFFAOYSA-N	-1	2	369.410	2.434	20	30		FEEDLM
N#CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000325864615	673051021	/nfs/dbraw/zinc/05/10/21/673051021.db2.gz	ZEJRSQOWWXWLGX-UHFFFAOYSA-N	-1	2	350.327	2.227	20	30		FEEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000322445329	553768611	/nfs/dbraw/zinc/76/86/11/553768611.db2.gz	CBUIXYMAHUAQTP-UHFFFAOYSA-N	-1	2	352.393	2.436	20	30		FEEDLM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000738426317	600360073	/nfs/dbraw/zinc/36/00/73/600360073.db2.gz	XULLGHGGMWNXRK-UHFFFAOYSA-N	-1	2	357.800	2.096	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(CCC#N)n1	ZINC000832900059	601329401	/nfs/dbraw/zinc/32/94/01/601329401.db2.gz	ZWQPCMMSFAJEPH-YVMONPNESA-N	-1	2	360.395	2.004	20	30		FEEDLM
CC(C)[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749388457	680045608	/nfs/dbraw/zinc/04/56/08/680045608.db2.gz	WNKKPMDLEWQKEB-RXMQYKEDSA-N	-1	2	358.229	2.044	20	30		FEEDLM
N#Cc1cc(F)ccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1	ZINC000156495414	545630981	/nfs/dbraw/zinc/63/09/81/545630981.db2.gz	SZSLPNLLXLQPPM-UHFFFAOYSA-N	-1	2	360.414	2.040	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1	ZINC000530714264	562421630	/nfs/dbraw/zinc/42/16/30/562421630.db2.gz	CUPVXZQUFZCKOJ-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000760365279	602119030	/nfs/dbraw/zinc/11/90/30/602119030.db2.gz	SUWUJMHEBJNABX-UHFFFAOYSA-N	-1	2	356.356	2.289	20	30		FEEDLM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064344	605067378	/nfs/dbraw/zinc/06/73/78/605067378.db2.gz	FXMIAKZAQWYVME-QWHCGFSZSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064344	605067381	/nfs/dbraw/zinc/06/73/81/605067381.db2.gz	FXMIAKZAQWYVME-QWHCGFSZSA-N	-1	2	372.406	2.150	20	30		FEEDLM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000479336771	561187768	/nfs/dbraw/zinc/18/77/68/561187768.db2.gz	WWPVRQHJQUVARW-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961755	606110563	/nfs/dbraw/zinc/11/05/63/606110563.db2.gz	UUHJEKRZTZCZRC-ZDUSSCGKSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@@H](C(=O)CCOC1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961755	606110566	/nfs/dbraw/zinc/11/05/66/606110566.db2.gz	UUHJEKRZTZCZRC-ZDUSSCGKSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c([N+](=O)[O-])c1	ZINC000533629418	562514821	/nfs/dbraw/zinc/51/48/21/562514821.db2.gz	OQLCTDOIMDZKDD-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(C#N)cc3)nc2n1	ZINC000738345721	600102334	/nfs/dbraw/zinc/10/23/34/600102334.db2.gz	IZFBJZUAJGYAQO-UHFFFAOYSA-N	-1	2	374.403	2.370	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000741657352	600684749	/nfs/dbraw/zinc/68/47/49/600684749.db2.gz	OJFIDHNFGYNYKU-UHFFFAOYSA-N	-1	2	355.368	2.398	20	30		FEEDLM
CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000578208778	671648986	/nfs/dbraw/zinc/64/89/86/671648986.db2.gz	VYOVNIAZNQNRAH-UHFFFAOYSA-N	-1	2	351.409	2.185	20	30		FEEDLM
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1	ZINC000321244584	553766351	/nfs/dbraw/zinc/76/63/51/553766351.db2.gz	JIFZAZZKROOABR-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000736088858	600236434	/nfs/dbraw/zinc/23/64/34/600236434.db2.gz	FMBNVSOOEZIIIR-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
CCC[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749365104	680043559	/nfs/dbraw/zinc/04/35/59/680043559.db2.gz	OMIFHIKPYWKEBD-YFKPBYRVSA-N	-1	2	358.229	2.188	20	30		FEEDLM
C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1	ZINC000756939079	680505787	/nfs/dbraw/zinc/50/57/87/680505787.db2.gz	PXPKAMMICDAEOX-UHFFFAOYSA-N	-1	2	367.329	2.476	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(F)c1	ZINC000128818275	544074473	/nfs/dbraw/zinc/07/44/73/544074473.db2.gz	VUWXUHRTGLQQQW-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000324225507	553771542	/nfs/dbraw/zinc/77/15/42/553771542.db2.gz	SWOJJBYDNNWEOK-UHFFFAOYSA-N	-1	2	366.420	2.163	20	30		FEEDLM
Cc1[nH+]c2cc(CNS(=O)(=O)c3cccnc3C#N)ccc2n1C1CC1	ZINC000416479310	559316364	/nfs/dbraw/zinc/31/63/64/559316364.db2.gz	ILERXKXOGCCQKH-UHFFFAOYSA-N	-1	2	367.434	2.425	20	30		FEEDLM
CC(C)(C)n1ncc2c1nc(N=NCC1CCN(C(=O)[O-])CC1)[nH]c2=O	ZINC000823875887	605170495	/nfs/dbraw/zinc/17/04/95/605170495.db2.gz	HMRLVQIMZQNLAB-UHFFFAOYSA-N	-1	2	361.406	2.075	20	30		FEEDLM
CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000819965453	606202749	/nfs/dbraw/zinc/20/27/49/606202749.db2.gz	HKLIFTNQNVWGKG-UHFFFAOYSA-N	-1	2	372.345	2.212	20	30		FEEDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)CC2(C#N)CCCC2)c1OC	ZINC000548268081	673945679	/nfs/dbraw/zinc/94/56/79/673945679.db2.gz	VRZWMJUEZHKNRM-UHFFFAOYSA-N	-1	2	368.411	2.228	20	30		FEEDLM
O=c1nc([C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][nH]1	ZINC000289458438	552324699	/nfs/dbraw/zinc/32/46/99/552324699.db2.gz	PVGCTHCWNAKWBX-CYBMUJFWSA-N	-1	2	366.343	2.228	20	30		FEEDLM
COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000542733354	600544671	/nfs/dbraw/zinc/54/46/71/600544671.db2.gz	HZOSLUXCERKJOK-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
CCCn1c(C)nnc1SC=C(O)C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000833652483	604904999	/nfs/dbraw/zinc/90/49/99/604904999.db2.gz	JHDFVFNIFBDDFR-UHFFFAOYSA-N	-1	2	373.438	2.492	20	30		FEEDLM
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000469083614	560946827	/nfs/dbraw/zinc/94/68/27/560946827.db2.gz	XRMMKXUACDPVMJ-UHFFFAOYSA-N	-1	2	361.379	2.195	20	30		FEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000532843658	562490331	/nfs/dbraw/zinc/49/03/31/562490331.db2.gz	JDLOAIJZMZYFJZ-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(CCC#N)n1	ZINC000832900057	601329362	/nfs/dbraw/zinc/32/93/62/601329362.db2.gz	ZWQPCMMSFAJEPH-VMPITWQZSA-N	-1	2	360.395	2.004	20	30		FEEDLM
CC[C@@H](OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000833646091	605010052	/nfs/dbraw/zinc/01/00/52/605010052.db2.gz	SRQCXTNTECIHGX-MRVPVSSYSA-N	-1	2	364.301	2.176	20	30		FEEDLM
C[C@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000752169773	680226224	/nfs/dbraw/zinc/22/62/24/680226224.db2.gz	YXOVOIWFVFWOIF-NSHDSACASA-N	-1	2	365.484	2.293	20	30		FEEDLM
CC(C)(C)[C@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000799060034	683418162	/nfs/dbraw/zinc/41/81/62/683418162.db2.gz	ZPYBJKKCVXGFCP-YFKPBYRVSA-N	-1	2	372.256	2.434	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1CCC#N	ZINC000504230915	561654713	/nfs/dbraw/zinc/65/47/13/561654713.db2.gz	WTBAKICWRTWHAU-UHFFFAOYSA-N	-1	2	366.374	2.052	20	30		FEEDLM
N#CCc1ccnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000833069407	601965199	/nfs/dbraw/zinc/96/51/99/601965199.db2.gz	WSGHZRKGKZHRHA-UHFFFAOYSA-N	-1	2	351.771	2.300	20	30		FEEDLM
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC#N)c1	ZINC000773248596	681132922	/nfs/dbraw/zinc/13/29/22/681132922.db2.gz	CEPLVOVOPSPGCQ-UHFFFAOYSA-N	-1	2	368.440	2.265	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1	ZINC000504508955	561659168	/nfs/dbraw/zinc/65/91/68/561659168.db2.gz	ZPUNXOJUSISPSP-UHFFFAOYSA-N	-1	2	352.393	2.274	20	30		FEEDLM
Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C1CC1	ZINC000510461049	561835195	/nfs/dbraw/zinc/83/51/95/561835195.db2.gz	OJXCIWSIEFAGTI-CQSZACIVSA-N	-1	2	350.831	2.375	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000435498818	559924165	/nfs/dbraw/zinc/92/41/65/559924165.db2.gz	ABBXXLZTRZWVAB-UHFFFAOYSA-N	-1	2	353.337	2.027	20	30		FEEDLM
Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C(=O)[O-])c1	ZINC000471127646	560998798	/nfs/dbraw/zinc/99/87/98/560998798.db2.gz	QKLDGZJKLFCDCB-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
CC(C)[C@@](C)(CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749390897	680046144	/nfs/dbraw/zinc/04/61/44/680046144.db2.gz	FQXXSXJJHSORNC-SNVBAGLBSA-N	-1	2	372.256	2.434	20	30		FEEDLM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1	ZINC000392858075	558619706	/nfs/dbraw/zinc/61/97/06/558619706.db2.gz	CAZPTMHPXZLBAU-UHFFFAOYSA-N	-1	2	364.379	2.003	20	30		FEEDLM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064343	605066908	/nfs/dbraw/zinc/06/69/08/605066908.db2.gz	FXMIAKZAQWYVME-OLZOCXBDSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc(-c2ccncc2)cs1	ZINC000831064343	605066913	/nfs/dbraw/zinc/06/69/13/605066913.db2.gz	FXMIAKZAQWYVME-OLZOCXBDSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#CC1(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CCCC1	ZINC000548198118	673933003	/nfs/dbraw/zinc/93/30/03/673933003.db2.gz	DUHDBQSKIJMCMB-UHFFFAOYSA-N	-1	2	353.356	2.119	20	30		FEEDLM
O=C([N-][C@@H]1CCC[C@H]1CNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400703	680046776	/nfs/dbraw/zinc/04/67/76/680046776.db2.gz	OQQKNUQKEKFEEG-NTSWFWBYSA-N	-1	2	370.240	2.188	20	30		FEEDLM
C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000779848448	681760232	/nfs/dbraw/zinc/76/02/32/681760232.db2.gz	NPIBZNPFDYZBMU-SNVBAGLBSA-N	-1	2	362.363	2.182	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(F)c1	ZINC000129312344	544104655	/nfs/dbraw/zinc/10/46/55/544104655.db2.gz	FCTQGRKHSXXICZ-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)s1	ZINC000435503441	559924313	/nfs/dbraw/zinc/92/43/13/559924313.db2.gz	VOSBLSKJLUXNTC-UHFFFAOYSA-N	-1	2	374.403	2.304	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)s1	ZINC000435501940	559924361	/nfs/dbraw/zinc/92/43/61/559924361.db2.gz	ONFRGBUMLLTGHD-UHFFFAOYSA-N	-1	2	364.404	2.468	20	30		FEEDLM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066501	605075456	/nfs/dbraw/zinc/07/54/56/605075456.db2.gz	XOYREJDMSZIYQM-QWRGUYRKSA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@@H](C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066501	605075463	/nfs/dbraw/zinc/07/54/63/605075463.db2.gz	XOYREJDMSZIYQM-QWRGUYRKSA-N	-1	2	363.370	2.381	20	30		FEEDLM
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000484970163	561309645	/nfs/dbraw/zinc/30/96/45/561309645.db2.gz	FVSXPBLXSGPIOD-UHFFFAOYSA-N	-1	2	361.379	2.241	20	30		FEEDLM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)n(CCC#N)n1	ZINC000271087544	550339130	/nfs/dbraw/zinc/33/91/30/550339130.db2.gz	TXEMVOZJEZLREM-UHFFFAOYSA-N	-1	2	362.411	2.167	20	30		FEEDLM
CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F	ZINC000416952414	559339883	/nfs/dbraw/zinc/33/98/83/559339883.db2.gz	GPPZIMFISRKWOL-QMMMGPOBSA-N	-1	2	352.290	2.327	20	30		FEEDLM
Cc1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1C(=O)[O-]	ZINC000738363866	600054551	/nfs/dbraw/zinc/05/45/51/600054551.db2.gz	OVEOGUXOESKQAI-UHFFFAOYSA-N	-1	2	357.800	2.476	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000829890353	601237374	/nfs/dbraw/zinc/23/73/74/601237374.db2.gz	PBOIDIHPMPVOIQ-HBNTYKKESA-N	-1	2	350.396	2.387	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000829890353	601237375	/nfs/dbraw/zinc/23/73/75/601237375.db2.gz	PBOIDIHPMPVOIQ-HBNTYKKESA-N	-1	2	350.396	2.387	20	30		FEEDLM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066491	605075862	/nfs/dbraw/zinc/07/58/62/605075862.db2.gz	XOYREJDMSZIYQM-MNOVXSKESA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@@H](C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2cc(F)ccc2s1	ZINC000831066491	605075863	/nfs/dbraw/zinc/07/58/63/605075863.db2.gz	XOYREJDMSZIYQM-MNOVXSKESA-N	-1	2	363.370	2.381	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1CCC#N	ZINC000271066703	550337143	/nfs/dbraw/zinc/33/71/43/550337143.db2.gz	MXFYABMTDADCMR-UHFFFAOYSA-N	-1	2	362.411	2.221	20	30		FEEDLM
CC(=N[N-]c1oc(C)nc1-c1nn[nH]n1)c1c(Cl)nc2sccn21	ZINC000735450635	599149908	/nfs/dbraw/zinc/14/99/08/599149908.db2.gz	BOJFPVLADXWBLR-UHFFFAOYSA-N	-1	2	363.794	2.362	20	30		FEEDLM
C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000752169771	680226195	/nfs/dbraw/zinc/22/61/95/680226195.db2.gz	YXOVOIWFVFWOIF-LLVKDONJSA-N	-1	2	365.484	2.293	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c(Cl)c1	ZINC000321661002	553767015	/nfs/dbraw/zinc/76/70/15/553767015.db2.gz	OCEVELLHNVWBTJ-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000476395414	561118355	/nfs/dbraw/zinc/11/83/55/561118355.db2.gz	GQPIDQTZOSFAEE-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C#N	ZINC000161704267	327006955	/nfs/dbraw/zinc/00/69/55/327006955.db2.gz	XTSHQQAFWUURRX-UHFFFAOYSA-N	-1	2	370.478	2.172	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)nn1CCC#N	ZINC000271090380	550339268	/nfs/dbraw/zinc/33/92/68/550339268.db2.gz	USOYYBAPLCELNM-UHFFFAOYSA-N	-1	2	374.422	2.093	20	30		FEEDLM
CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)s1	ZINC000329254798	553911804	/nfs/dbraw/zinc/91/18/04/553911804.db2.gz	DDINOHHGDPJDEG-LLVKDONJSA-N	-1	2	369.472	2.112	20	30		FEEDLM
C[C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000811528940	674611780	/nfs/dbraw/zinc/61/17/80/674611780.db2.gz	OUCCQHDRYGSLGU-XAMCCFCMSA-N	-1	2	352.250	2.191	20	30		FEEDLM
C[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000811528940	674611783	/nfs/dbraw/zinc/61/17/83/674611783.db2.gz	OUCCQHDRYGSLGU-XAMCCFCMSA-N	-1	2	352.250	2.191	20	30		FEEDLM
Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cc(O)cc2F)n1	ZINC000746983751	673900172	/nfs/dbraw/zinc/90/01/72/673900172.db2.gz	AOVQMTOGTQLWCP-VIFPVBQESA-N	-1	2	352.318	2.469	20	30		FEEDLM
COc1cc(OC)c(NS(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000516000089	562027523	/nfs/dbraw/zinc/02/75/23/562027523.db2.gz	UVWSQVMZXANUCB-UHFFFAOYSA-N	-1	2	368.392	2.136	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000832152438	601861080	/nfs/dbraw/zinc/86/10/80/601861080.db2.gz	GGNYDPYJWZFKGT-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
CC(C)(C)/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833430913	604998653	/nfs/dbraw/zinc/99/86/53/604998653.db2.gz	DGZVZTPTCHINQF-QMMMGPOBSA-N	-1	2	355.441	2.161	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(F)c1	ZINC000548198163	673933057	/nfs/dbraw/zinc/93/30/57/673933057.db2.gz	ITQKJBJAFGDWSB-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C1CC1	ZINC000510461046	561835289	/nfs/dbraw/zinc/83/52/89/561835289.db2.gz	OJXCIWSIEFAGTI-AWEZNQCLSA-N	-1	2	350.831	2.375	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000436967153	559957893	/nfs/dbraw/zinc/95/78/93/559957893.db2.gz	OOFGKZHPJKCFDZ-UHFFFAOYSA-N	-1	2	362.363	2.080	20	30		FEEDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000464830077	560852745	/nfs/dbraw/zinc/85/27/45/560852745.db2.gz	HWLZLKVBGJKQEA-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1	ZINC000130108217	544138971	/nfs/dbraw/zinc/13/89/71/544138971.db2.gz	MNLHFMOCAISULZ-UHFFFAOYSA-N	-1	2	352.318	2.264	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000736075698	600899393	/nfs/dbraw/zinc/89/93/93/600899393.db2.gz	BQKRFZKSTYDWHU-UHFFFAOYSA-N	-1	2	355.368	2.398	20	30		FEEDLM
CC(C)[C@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749388459	680045467	/nfs/dbraw/zinc/04/54/67/680045467.db2.gz	WNKKPMDLEWQKEB-YFKPBYRVSA-N	-1	2	358.229	2.044	20	30		FEEDLM
C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000779848436	681760221	/nfs/dbraw/zinc/76/02/21/681760221.db2.gz	NPIBZNPFDYZBMU-JTQLQIEISA-N	-1	2	362.363	2.182	20	30		FEEDLM
CC(C)(C)[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000799060032	683418063	/nfs/dbraw/zinc/41/80/63/683418063.db2.gz	ZPYBJKKCVXGFCP-RXMQYKEDSA-N	-1	2	372.256	2.434	20	30		FEEDLM
CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000467744018	560916379	/nfs/dbraw/zinc/91/63/79/560916379.db2.gz	FLPAAPUNQCURJN-UHFFFAOYSA-N	-1	2	350.352	2.357	20	30		FEEDLM
Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832910383	604623298	/nfs/dbraw/zinc/62/32/98/604623298.db2.gz	FNMNAPVRIXNPQE-UHFFFAOYSA-N	-1	2	351.409	2.141	20	30		FEEDLM
CC(C)CC/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833484243	604998764	/nfs/dbraw/zinc/99/87/64/604998764.db2.gz	VQCUCIOZOZOQGY-JTQLQIEISA-N	-1	2	369.468	2.409	20	30		FEEDLM
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(C#N)c1	ZINC000573259780	671101155	/nfs/dbraw/zinc/10/11/55/671101155.db2.gz	NNQVAUBNGXTVAT-UHFFFAOYSA-N	-1	2	361.379	2.241	20	30		FEEDLM
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(C#N)c1	ZINC000589543697	672530734	/nfs/dbraw/zinc/53/07/34/672530734.db2.gz	CCAUWMBBZLAACX-UHFFFAOYSA-N	-1	2	361.379	2.239	20	30		FEEDLM
C=CCn1cc(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)nn1	ZINC000424175215	559656779	/nfs/dbraw/zinc/65/67/79/559656779.db2.gz	SZEBBOTVGKJKEN-UHFFFAOYSA-N	-1	2	353.220	2.231	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(C2CC[NH+](C)CC2)n1	ZINC000432363206	559857281	/nfs/dbraw/zinc/85/72/81/559857281.db2.gz	UAKVSGYKAFKEQS-UHFFFAOYSA-N	-1	2	359.455	2.131	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N	ZINC000738196994	600365753	/nfs/dbraw/zinc/36/57/53/600365753.db2.gz	VRBPIZDCUGHOGX-LBPRGKRZSA-N	-1	2	355.375	2.209	20	30		FEEDLM
CC[C@H](OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000833646092	605009997	/nfs/dbraw/zinc/00/99/97/605009997.db2.gz	SRQCXTNTECIHGX-QMMMGPOBSA-N	-1	2	364.301	2.176	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000737920584	600097897	/nfs/dbraw/zinc/09/78/97/600097897.db2.gz	NKFQMVPVBGLZPW-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(CCC#N)n1	ZINC000832899505	601829646	/nfs/dbraw/zinc/82/96/46/601829646.db2.gz	NDECIMWYSOHPFN-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
Cc1[nH][nH]c(=NC(=O)c2cc(Br)cc(Cl)c2[O-])c1C#N	ZINC000436922338	559956569	/nfs/dbraw/zinc/95/65/69/559956569.db2.gz	ZSUKSYJJVWRRIN-UHFFFAOYSA-N	-1	2	355.579	2.964	20	30		FEEDLM
CC#CCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1	ZINC000819765081	599122296	/nfs/dbraw/zinc/12/22/96/599122296.db2.gz	MYZSCOWYOZGLMZ-UHFFFAOYSA-N	-1	2	354.395	2.153	20	30		FEEDLM
N#Cc1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)ccc1Cl	ZINC000833070647	604625229	/nfs/dbraw/zinc/62/52/29/604625229.db2.gz	PTYCBUBJLMEQEN-UHFFFAOYSA-N	-1	2	371.827	2.486	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(F)c1	ZINC000436736675	559950357	/nfs/dbraw/zinc/95/03/57/559950357.db2.gz	GWDONKVSOPVOIK-UHFFFAOYSA-N	-1	2	354.290	2.041	20	30		FEEDLM
C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1	ZINC000736095399	599813143	/nfs/dbraw/zinc/81/31/43/599813143.db2.gz	UMMUTMDHVFYIBP-UHFFFAOYSA-N	-1	2	365.388	2.015	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(CCC#N)n1	ZINC000832898125	601329602	/nfs/dbraw/zinc/32/96/02/601329602.db2.gz	BBHRUNLHPFNYFK-UHFFFAOYSA-N	-1	2	362.411	2.221	20	30		FEEDLM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2cc(F)ccc2s1	ZINC000833961762	606110439	/nfs/dbraw/zinc/11/04/39/606110439.db2.gz	UWDMAQWFEMKKML-LLVKDONJSA-N	-1	2	363.370	2.381	20	30		FEEDLM
N#C[C@H](C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2cc(F)ccc2s1	ZINC000833961762	606110441	/nfs/dbraw/zinc/11/04/41/606110441.db2.gz	UWDMAQWFEMKKML-LLVKDONJSA-N	-1	2	363.370	2.381	20	30		FEEDLM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000548539674	673967893	/nfs/dbraw/zinc/96/78/93/673967893.db2.gz	VQGWUYSQAPLMOO-UHFFFAOYSA-N	-1	2	361.335	2.274	20	30		FEEDLM
CC(C)C[C@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749387581	680045550	/nfs/dbraw/zinc/04/55/50/680045550.db2.gz	AODGPTNVUUKGTN-ZCFIWIBFSA-N	-1	2	372.256	2.434	20	30		FEEDLM
C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852673572	682318029	/nfs/dbraw/zinc/31/80/29/682318029.db2.gz	KRTICNZUVRQFMT-BZUAXINKSA-N	-1	2	356.388	2.460	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1CCC#N	ZINC000271085423	550338919	/nfs/dbraw/zinc/33/89/19/550338919.db2.gz	SMTITQXGSRWMPO-UHFFFAOYSA-N	-1	2	362.411	2.221	20	30		FEEDLM
N#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000739088693	600232739	/nfs/dbraw/zinc/23/27/39/600232739.db2.gz	VTZCGRHNWHUMMO-UHFFFAOYSA-N	-1	2	368.317	2.366	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000829890354	601237408	/nfs/dbraw/zinc/23/74/08/601237408.db2.gz	PBOIDIHPMPVOIQ-OUAUKWLOSA-N	-1	2	350.396	2.387	20	30		FEEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000829890354	601237410	/nfs/dbraw/zinc/23/74/10/601237410.db2.gz	PBOIDIHPMPVOIQ-OUAUKWLOSA-N	-1	2	350.396	2.387	20	30		FEEDLM
O=C([O-])C1CC(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1	ZINC000814863649	674884761	/nfs/dbraw/zinc/88/47/61/674884761.db2.gz	WPPQVJOGHRQJFJ-UHFFFAOYSA-N	-1	2	366.424	2.206	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(F)c1	ZINC000532850273	562490523	/nfs/dbraw/zinc/49/05/23/562490523.db2.gz	XVCASEYXNWBPCF-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
CCn1c(C)nnc1SC=C(O)C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000737294621	599805438	/nfs/dbraw/zinc/80/54/38/599805438.db2.gz	WYUSRLOLFYVRCG-UHFFFAOYSA-N	-1	2	359.411	2.101	20	30		FEEDLM
CCOC(=O)c1csc(C(C#N)C(=O)C2(CNC(=O)[O-])CCCC2)n1	ZINC000827355766	603786400	/nfs/dbraw/zinc/78/64/00/603786400.db2.gz	KRAILAVIDDXBTE-SNVBAGLBSA-N	-1	2	365.411	2.324	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c(F)c1	ZINC000610058782	675949141	/nfs/dbraw/zinc/94/91/41/675949141.db2.gz	YTMWYHCSTSXFQV-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F	ZINC000160128915	672289486	/nfs/dbraw/zinc/28/94/86/672289486.db2.gz	RKESMABNFOVYTC-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
CCC[C@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749365103	680043553	/nfs/dbraw/zinc/04/35/53/680043553.db2.gz	OMIFHIKPYWKEBD-RXMQYKEDSA-N	-1	2	358.229	2.188	20	30		FEEDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccccc1C#N	ZINC000534403124	562533374	/nfs/dbraw/zinc/53/33/74/562533374.db2.gz	GMFVWCHBXDZSPP-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833067695	602119833	/nfs/dbraw/zinc/11/98/33/602119833.db2.gz	HQXJHCYCNNYYSM-UHFFFAOYSA-N	-1	2	356.356	2.289	20	30		FEEDLM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000760360874	680684160	/nfs/dbraw/zinc/68/41/60/680684160.db2.gz	HZHSEHYNBBBVEC-UHFFFAOYSA-N	-1	2	368.317	2.366	20	30		FEEDLM
N#CCCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)n1	ZINC000265561586	550011483	/nfs/dbraw/zinc/01/14/83/550011483.db2.gz	MAXPDWXQXMENBK-UHFFFAOYSA-N	-1	2	374.422	2.175	20	30		FEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833068233	602113385	/nfs/dbraw/zinc/11/33/85/602113385.db2.gz	RRNAPEKCPPLARB-UHFFFAOYSA-N	-1	2	362.323	2.357	20	30		FEEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831031949	605272146	/nfs/dbraw/zinc/27/21/46/605272146.db2.gz	YXNXARWQSMNDBN-KBPBESRZSA-N	-1	2	354.366	2.101	20	30		FEEDLM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961753	606110444	/nfs/dbraw/zinc/11/04/44/606110444.db2.gz	UUHJEKRZTZCZRC-CYBMUJFWSA-N	-1	2	372.406	2.150	20	30		FEEDLM
N#C[C@H](C(=O)CCOC1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961753	606110447	/nfs/dbraw/zinc/11/04/47/606110447.db2.gz	UUHJEKRZTZCZRC-CYBMUJFWSA-N	-1	2	372.406	2.150	20	30		FEEDLM
COc1cc(NS(=O)(=O)c2ccc(C#N)cc2F)ccc1C(=O)[O-]	ZINC000566715949	675237224	/nfs/dbraw/zinc/23/72/24/675237224.db2.gz	BEFKFIYBCQQEEO-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([NH+]3CCCC3)cc2C(=O)[O-])o1	ZINC000287251284	551981149	/nfs/dbraw/zinc/98/11/49/551981149.db2.gz	POJDDXLEZZEDCL-UHFFFAOYSA-N	-1	2	361.379	2.250	20	30		FEEDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nn1CCC#N	ZINC000504260472	561655296	/nfs/dbraw/zinc/65/52/96/561655296.db2.gz	NVADTVBJKNEKAM-UHFFFAOYSA-N	-1	2	368.802	2.258	20	30		FEEDLM
COc1cc(NS(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])cc1OC	ZINC000326271726	553779609	/nfs/dbraw/zinc/77/96/09/553779609.db2.gz	VQACKYNFAJSENT-UHFFFAOYSA-N	-1	2	368.392	2.136	20	30		FEEDLM
N#Cc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)ccc1Cl	ZINC000738425391	600053633	/nfs/dbraw/zinc/05/36/33/600053633.db2.gz	LCDBLDHOFGMGMZ-UHFFFAOYSA-N	-1	2	357.800	2.096	20	30		FEEDLM
N#CCCCOc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833065436	601837240	/nfs/dbraw/zinc/83/72/40/601837240.db2.gz	CVPYUHPYJNDBJU-UHFFFAOYSA-N	-1	2	367.408	2.325	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833366275	605419670	/nfs/dbraw/zinc/41/96/70/605419670.db2.gz	OZIVIFCKFBVDBE-UHFFFAOYSA-N	-1	2	367.354	2.492	20	30		FEEDLM
CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000820202988	606202630	/nfs/dbraw/zinc/20/26/30/606202630.db2.gz	NQHQMMWSVGHGIA-UHFFFAOYSA-N	-1	2	358.318	2.038	20	30		FEEDLM
N#Cc1ccc(OC2CCC(NC(=O)c3cccc4[nH]nnc43)CC2)nc1	ZINC000188683676	548285268	/nfs/dbraw/zinc/28/52/68/548285268.db2.gz	VETBDVWVSLYGIG-UHFFFAOYSA-N	-1	2	362.393	2.345	20	30		FEEDLM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000265592861	550012125	/nfs/dbraw/zinc/01/21/25/550012125.db2.gz	SDJBOOMLJNDOOV-UHFFFAOYSA-N	-1	2	362.411	2.419	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000520627659	562160634	/nfs/dbraw/zinc/16/06/34/562160634.db2.gz	RRDBTWUBLHSBJZ-UHFFFAOYSA-N	-1	2	352.393	2.436	20	30		FEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000471141324	560999176	/nfs/dbraw/zinc/99/91/76/560999176.db2.gz	FLSXUQXXQFPTPO-UHFFFAOYSA-N	-1	2	365.298	2.105	20	30		FEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C#N	ZINC000738195425	600332262	/nfs/dbraw/zinc/33/22/62/600332262.db2.gz	IBFQTMUJMKLAMJ-UHFFFAOYSA-N	-1	2	358.379	2.401	20	30		FEEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000546707604	673812529	/nfs/dbraw/zinc/81/25/29/673812529.db2.gz	PYWZDAWLOARMBH-UHFFFAOYSA-N	-1	2	362.363	2.080	20	30		FEEDLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000779849629	681760159	/nfs/dbraw/zinc/76/01/59/681760159.db2.gz	XIOZLLMCZNMPKS-VIFPVBQESA-N	-1	2	350.352	2.378	20	30		FEEDLM
CCc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)cc1C(=O)[O-]	ZINC000504223380	561654666	/nfs/dbraw/zinc/65/46/66/561654666.db2.gz	QMDTZDCFJOXASU-UHFFFAOYSA-N	-1	2	362.411	2.167	20	30		FEEDLM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000833069049	604623095	/nfs/dbraw/zinc/62/30/95/604623095.db2.gz	LGZZXOWCKFYFGS-UHFFFAOYSA-N	-1	2	371.827	2.486	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832152409	601838874	/nfs/dbraw/zinc/83/88/74/601838874.db2.gz	DBICSADTRGJASZ-UHFFFAOYSA-N	-1	2	367.770	2.114	20	30		FEEDLM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000740310236	603046883	/nfs/dbraw/zinc/04/68/83/603046883.db2.gz	CQXZRYHQFIXLPL-UHFFFAOYSA-N	-1	2	352.759	2.497	20	30		FEEDLM
O=C([N-][C@@H]1CCC[C@@H]1CNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400709	680046705	/nfs/dbraw/zinc/04/67/05/680046705.db2.gz	OQQKNUQKEKFEEG-PHDIDXHHSA-N	-1	2	370.240	2.188	20	30		FEEDLM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1O	ZINC000753015267	680270742	/nfs/dbraw/zinc/27/07/42/680270742.db2.gz	CJIGSFAFSWPFPN-UHFFFAOYSA-N	-1	2	368.361	2.387	20	30		FEEDLM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC#N	ZINC000760361495	680684165	/nfs/dbraw/zinc/68/41/65/680684165.db2.gz	XROQCDGZEYCSHM-UHFFFAOYSA-N	-1	2	354.315	2.129	20	30		FEEDLM
Cc1[nH][nH]c(=NC(=O)c2cc(Cl)cc(Br)c2[O-])c1C#N	ZINC000436612027	559946696	/nfs/dbraw/zinc/94/66/96/559946696.db2.gz	XHHFYYJPOMQKKS-UHFFFAOYSA-N	-1	2	355.579	2.964	20	30		FEEDLM
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1	ZINC000739666151	599901012	/nfs/dbraw/zinc/90/10/12/599901012.db2.gz	KIHUSDQEPREKMT-ZDUSSCGKSA-N	-1	2	363.439	2.248	20	30		FEEDLM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000558681195	674510316	/nfs/dbraw/zinc/51/03/16/674510316.db2.gz	ICKZCFUEJRDBNQ-UHFFFAOYSA-N	-1	2	352.755	2.416	20	30		FEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000746055340	604504293	/nfs/dbraw/zinc/50/42/93/604504293.db2.gz	FHVPGTYLMCTCAV-UHFFFAOYSA-N	-1	2	353.327	2.238	20	30		FEEDLM
CC(C)CC/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833484245	604998823	/nfs/dbraw/zinc/99/88/23/604998823.db2.gz	VQCUCIOZOZOQGY-SNVBAGLBSA-N	-1	2	369.468	2.409	20	30		FEEDLM
CC(C)C[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749387580	680045586	/nfs/dbraw/zinc/04/55/86/680045586.db2.gz	AODGPTNVUUKGTN-LURJTMIESA-N	-1	2	372.256	2.434	20	30		FEEDLM
O=C([N-][C@H]1CCC[C@@H]1CNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F	ZINC000749400712	680046666	/nfs/dbraw/zinc/04/66/66/680046666.db2.gz	OQQKNUQKEKFEEG-RITPCOANSA-N	-1	2	370.240	2.188	20	30		FEEDLM
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c(O)c(F)c2)n1	ZINC000759537246	680654837	/nfs/dbraw/zinc/65/48/37/680654837.db2.gz	DCCUYCPUXFZTMC-VIFPVBQESA-N	-1	2	352.318	2.469	20	30		FEEDLM
N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC000128588501	544061187	/nfs/dbraw/zinc/06/11/87/544061187.db2.gz	NMSULNDQDIUGOY-UHFFFAOYSA-N	-1	2	356.281	2.475	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000485256181	561315873	/nfs/dbraw/zinc/31/58/73/561315873.db2.gz	CBPJIMBBIAEYGL-UHFFFAOYSA-N	-1	2	350.327	2.205	20	30		FEEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000494604432	561472480	/nfs/dbraw/zinc/47/24/80/561472480.db2.gz	YEAMHQIEBRIZDF-UHFFFAOYSA-N	-1	2	352.393	2.436	20	30		FEEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000328269357	553793754	/nfs/dbraw/zinc/79/37/54/553793754.db2.gz	FMAUMUCTFSORGT-UHFFFAOYSA-N	-1	2	362.363	2.074	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000391509460	558614403	/nfs/dbraw/zinc/61/44/03/558614403.db2.gz	DOXXRWQSZGEOAQ-UHFFFAOYSA-N	-1	2	353.337	2.027	20	30		FEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000739131639	600784721	/nfs/dbraw/zinc/78/47/21/600784721.db2.gz	DFLFVKSBJOXDHH-UHFFFAOYSA-N	-1	2	353.337	2.027	20	30		FEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccsc1C(=O)[O-]	ZINC000833067394	602111891	/nfs/dbraw/zinc/11/18/91/602111891.db2.gz	CGHAKTPNBSPTPF-UHFFFAOYSA-N	-1	2	353.337	2.027	20	30		FEEDLM
CC(C)NS(=O)(=O)c1ccc(N=NCc2c(F)ccc(O)c2F)nc1	ZINC000794492038	682973180	/nfs/dbraw/zinc/97/31/80/682973180.db2.gz	ASOXCKONCYHZFI-UHFFFAOYSA-N	-1	2	370.381	2.198	20	30		FEEDLM