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#N)cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000133730600	675031758	/nfs/dbraw/zinc/03/17/58/675031758.db2.gz	ZDZKMNPQPBPJPX-UHFFFAOYSA-N	-2	3	333.325	2.281	10	30		EEEEHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000776597450	577463895	/nfs/dbraw/zinc/46/38/95/577463895.db2.gz	QBAWFSFZFPETBM-LLVKDONJSA-N	-2	3	335.784	2.485	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	ZINC000593254577	468918872	/nfs/dbraw/zinc/91/88/72/468918872.db2.gz	MCTUZEMMEXBYEE-UHFFFAOYSA-N	-2	3	342.442	2.323	10	30		EEEEHL
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1	ZINC000840889038	1315428219	/nfs/dbraw/zinc/42/82/19/1315428219.db2.gz	FERARBLXELBUAW-IUCAKERBSA-N	-2	3	344.339	2.024	10	30		EEEEHL
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]Oc1cccc(C#N)c1	ZINC001302371095	1331326023	/nfs/dbraw/zinc/32/60/23/1331326023.db2.gz	CTWQEZJKCGWWFR-UHFFFAOYSA-N	-2	3	326.356	2.384	10	30		EEEEHL
C=CCCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000582192135	468505291	/nfs/dbraw/zinc/50/52/91/468505291.db2.gz	ZFGDEUUSXXEGII-UHFFFAOYSA-N	-2	3	333.431	2.480	10	30		EEEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000562651287	469020266	/nfs/dbraw/zinc/02/02/66/469020266.db2.gz	WFASRQBDICMIND-SNVBAGLBSA-N	-2	3	333.793	2.046	10	30		EEEEHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000630437883	469851612	/nfs/dbraw/zinc/85/16/12/469851612.db2.gz	HYFQRVFQINVVKV-JTQLQIEISA-N	-2	3	333.793	2.046	10	30		EEEEHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC000050196046	214049333	/nfs/dbraw/zinc/04/93/33/214049333.db2.gz	UCCGZZFJIQUNPV-UHFFFAOYSA-N	-2	3	330.793	2.133	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547890708	318332055	/nfs/dbraw/zinc/33/20/55/318332055.db2.gz	ZCGDTJIZYKJLIE-OCCSQVGLSA-N	-2	3	342.804	2.133	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cn1	ZINC000318413128	466587670	/nfs/dbraw/zinc/58/76/70/466587670.db2.gz	HCWWERJTKWZVRJ-UHFFFAOYSA-N	-2	3	337.744	2.106	10	30		EEEEHL
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccsc2C#N)(CC(=O)[O-])C1	ZINC000593266874	468923150	/nfs/dbraw/zinc/92/31/50/468923150.db2.gz	ZBXWKKOMDXJGGQ-HZMBPMFUSA-N	-2	3	342.442	2.179	10	30		EEEEHL
C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccsc2C#N)(CC(=O)[O-])C1	ZINC000593266878	468923462	/nfs/dbraw/zinc/92/34/62/468923462.db2.gz	ZBXWKKOMDXJGGQ-QMTHXVAHSA-N	-2	3	342.442	2.179	10	30		EEEEHL
CC(C)(CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000548220873	318366210	/nfs/dbraw/zinc/36/62/10/318366210.db2.gz	LIAATXADGJVQCZ-UHFFFAOYSA-N	-2	3	344.820	2.381	10	30		EEEEHL
N#CCC1(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])CC1	ZINC000518471457	468116807	/nfs/dbraw/zinc/11/68/07/468116807.db2.gz	BTMFZOFCOXLEGC-UHFFFAOYSA-N	-2	3	330.312	2.099	10	30		EEEEHL
CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261331	468920989	/nfs/dbraw/zinc/92/09/89/468920989.db2.gz	DOZYTRKLJUTLLG-VIFPVBQESA-N	-2	3	330.431	2.178	10	30		EEEEHL
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000133746656	675231052	/nfs/dbraw/zinc/23/10/52/675231052.db2.gz	LJKFMCLNUUDXBK-UHFFFAOYSA-N	-2	3	333.325	2.281	10	30		EEEEHL
CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593261037	468920740	/nfs/dbraw/zinc/92/07/40/468920740.db2.gz	DCKRGHRRALTBGQ-VIFPVBQESA-N	-2	3	330.431	2.035	10	30		EEEEHL
C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccsc2C#N)(CC(=O)[O-])C1	ZINC000593266883	468923764	/nfs/dbraw/zinc/92/37/64/468923764.db2.gz	ZBXWKKOMDXJGGQ-YGRLFVJLSA-N	-2	3	342.442	2.179	10	30		EEEEHL
CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000776621566	577464706	/nfs/dbraw/zinc/46/47/06/577464706.db2.gz	ARPYPTCWEOWZGL-UHFFFAOYSA-N	-2	3	344.820	2.381	10	30		EEEEHL
C=CCCCS(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-]	ZINC000568346589	468320836	/nfs/dbraw/zinc/32/08/36/468320836.db2.gz	KMZGKHGULYAXRZ-UHFFFAOYSA-N	-2	3	329.374	2.110	10	30		EEEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000584454487	468875012	/nfs/dbraw/zinc/87/50/12/468875012.db2.gz	LAVXHISEBLBEAE-VIFPVBQESA-N	-2	3	337.319	2.403	10	30		EEEEHL
N#CCCC[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000054137517	214218910	/nfs/dbraw/zinc/21/89/10/214218910.db2.gz	YMOUKHRTSRWNIW-UHFFFAOYSA-N	-2	3	337.184	2.274	10	30		EEEEHL
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)/N=C/c1ccccc1[O-]	ZINC000020220424	212114051	/nfs/dbraw/zinc/11/40/51/212114051.db2.gz	NRASWPMFNYVTLM-HVOBPNNYSA-N	-2	3	344.323	2.209	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000317304604	311592137	/nfs/dbraw/zinc/59/21/37/311592137.db2.gz	UFIUEEXPHISFHL-OCCSQVGLSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000548547753	318395602	/nfs/dbraw/zinc/39/56/02/318395602.db2.gz	FBIWWAHGYXOROJ-UHFFFAOYSA-N	-2	3	344.820	2.381	10	30		EEEEHL
CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593261036	468921044	/nfs/dbraw/zinc/92/10/44/468921044.db2.gz	DCKRGHRRALTBGQ-SECBINFHSA-N	-2	3	330.431	2.035	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])s1	ZINC000562436177	468958672	/nfs/dbraw/zinc/95/86/72/468958672.db2.gz	DBGDGGFPMKSFGA-VXGBXAGGSA-N	-2	3	342.442	2.322	10	30		EEEEHL
N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000548568056	318396283	/nfs/dbraw/zinc/39/62/83/318396283.db2.gz	VEISRSYZJGVIOC-UHFFFAOYSA-N	-2	3	334.328	2.337	10	30		EEEEHL
CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000547872624	318331017	/nfs/dbraw/zinc/33/10/17/318331017.db2.gz	KMZXOBWKUAWWSH-UHFFFAOYSA-N	-2	3	345.380	2.123	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000317804231	466583190	/nfs/dbraw/zinc/58/31/90/466583190.db2.gz	TVBRLMYGJLBRLK-OCCSQVGLSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CC1([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C(=O)[O-])CCCCC1	ZINC000593270345	468924445	/nfs/dbraw/zinc/92/44/45/468924445.db2.gz	AAUPGVZGCMWDLA-LBPRGKRZSA-N	-2	3	342.442	2.322	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])s1	ZINC000562436176	468958397	/nfs/dbraw/zinc/95/83/97/468958397.db2.gz	DBGDGGFPMKSFGA-RYUDHWBXSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000054156567	214220213	/nfs/dbraw/zinc/22/02/13/214220213.db2.gz	SGECLBPCMIJIHL-ZCFIWIBFSA-N	-2	3	337.184	2.130	10	30		EEEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1	ZINC000576833796	468173445	/nfs/dbraw/zinc/17/34/45/468173445.db2.gz	FAHKSJSCVNKTSB-SSDOTTSWSA-N	-2	3	343.348	2.465	10	30		EEEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000562651286	469019949	/nfs/dbraw/zinc/01/99/49/469019949.db2.gz	WFASRQBDICMIND-JTQLQIEISA-N	-2	3	333.793	2.046	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000548218622	318365825	/nfs/dbraw/zinc/36/58/25/318365825.db2.gz	ASLDEYOLGGLYTR-TZMCWYRMSA-N	-2	3	342.804	2.133	10	30		EEEEHL
COc1cc([O-])cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1	ZINC000357498562	466083759	/nfs/dbraw/zinc/08/37/59/466083759.db2.gz	GGWXLZYQSQGOOT-UHFFFAOYSA-N	-2	3	331.353	2.347	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c([N+](=O)[O-])c1	ZINC000131426799	292387634	/nfs/dbraw/zinc/38/76/34/292387634.db2.gz	PCYWIKLMKMMFSA-UHFFFAOYSA-N	-2	3	337.288	2.112	10	30		EEEEHL
CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC000547871649	318330973	/nfs/dbraw/zinc/33/09/73/318330973.db2.gz	CVUOTVWHWHINDH-UHFFFAOYSA-N	-2	3	345.380	2.123	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000548548125	318395568	/nfs/dbraw/zinc/39/55/68/318395568.db2.gz	ACSTULGOJGSSEH-ZDUSSCGKSA-N	-2	3	340.376	2.009	10	30		EEEEHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000630438555	469851513	/nfs/dbraw/zinc/85/15/13/469851513.db2.gz	RKHQITAKLLFNLN-ZETCQYMHSA-N	-2	3	343.348	2.465	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000548218620	318365752	/nfs/dbraw/zinc/36/57/52/318365752.db2.gz	ASLDEYOLGGLYTR-OCCSQVGLSA-N	-2	3	342.804	2.133	10	30		EEEEHL
N#CC1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC000443068890	467578966	/nfs/dbraw/zinc/57/89/66/467578966.db2.gz	IVHPFYNQMLYVTM-UHFFFAOYSA-N	-2	3	340.376	2.132	10	30		EEEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1	ZINC000576833797	468173708	/nfs/dbraw/zinc/17/37/08/468173708.db2.gz	FAHKSJSCVNKTSB-ZETCQYMHSA-N	-2	3	343.348	2.465	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-]	ZINC000593271572	468924354	/nfs/dbraw/zinc/92/43/54/468924354.db2.gz	KAFMCPTTXAACKY-QWRGUYRKSA-N	-2	3	342.442	2.322	10	30		EEEEHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000584840166	468947016	/nfs/dbraw/zinc/94/70/16/468947016.db2.gz	OXSWDIOPNWPNIB-GFCCVEGCSA-N	-2	3	344.820	2.379	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000548218613	318365818	/nfs/dbraw/zinc/36/58/18/318365818.db2.gz	ASLDEYOLGGLYTR-GXTWGEPZSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000401304345	467458974	/nfs/dbraw/zinc/45/89/74/467458974.db2.gz	GHDUDJYLUPNEKA-LLVKDONJSA-N	-2	3	344.820	2.379	10	30		EEEEHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-]	ZINC000548214894	318365843	/nfs/dbraw/zinc/36/58/43/318365843.db2.gz	YXPRTWKMJJYLBL-ZDUSSCGKSA-N	-2	3	340.376	2.009	10	30		EEEEHL
O=c1[n-]c(NN=Cc2ccc(O)cc2[O-])nnc1Cc1ccccc1	ZINC000253531375	465017103	/nfs/dbraw/zinc/01/71/03/465017103.db2.gz	HIVNMBRRBSFDLD-UHFFFAOYSA-N	-2	3	337.339	2.025	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000317804232	466583754	/nfs/dbraw/zinc/58/37/54/466583754.db2.gz	TVBRLMYGJLBRLK-TZMCWYRMSA-N	-2	3	342.804	2.133	10	30		EEEEHL
C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl	ZINC000050391946	214056167	/nfs/dbraw/zinc/05/61/67/214056167.db2.gz	FNOMWYBGAGOPOL-LURJTMIESA-N	-2	3	337.184	2.272	10	30		EEEEHL
CC(C)(CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000548551229	318395704	/nfs/dbraw/zinc/39/57/04/318395704.db2.gz	WPGGKBJJCYUEEW-UHFFFAOYSA-N	-2	3	344.820	2.381	10	30		EEEEHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000630437884	469851576	/nfs/dbraw/zinc/85/15/76/469851576.db2.gz	HYFQRVFQINVVKV-SNVBAGLBSA-N	-2	3	333.793	2.046	10	30		EEEEHL
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759717539	577648588	/nfs/dbraw/zinc/64/85/88/577648588.db2.gz	IRHMFWKIIMXKIT-UHFFFAOYSA-N	-2	3	349.350	2.381	10	30		EEEEHL
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1	ZINC001611667056	1352303569	/nfs/dbraw/zinc/30/35/69/1352303569.db2.gz	MKGHFHSUHZJQFR-UHFFFAOYSA-N	-2	3	344.346	2.151	10	30		EEEEHL
CSc1[n-]c(=O)c(C(=O)NCc2c([O-])cccc2F)cc1C#N	ZINC001471974367	1110537123	/nfs/dbraw/zinc/53/71/23/1110537123.db2.gz	ASWIVRRDRKHYHL-UHFFFAOYSA-N	-2	3	333.344	2.155	10	30		EEEEHL
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N	ZINC000594847855	468703503	/nfs/dbraw/zinc/70/35/03/468703503.db2.gz	BMCXYAVGWLBCGH-SKDRFNHKSA-N	-2	3	342.442	2.178	10	30		EEEEHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F	ZINC000132689159	462873107	/nfs/dbraw/zinc/87/31/07/462873107.db2.gz	XQUGIPRIEYDRFQ-UHFFFAOYSA-N	-2	3	338.291	2.335	10	30		EEEEHL
Cc1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C(=O)[O-])cc1	ZINC000776499282	577460966	/nfs/dbraw/zinc/46/09/66/577460966.db2.gz	FAMTXRXFTSALHK-HNNXBMFYSA-N	-2	3	348.355	2.110	10	30		EEEEHL
COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c([O-])c1	ZINC000442704316	270020660	/nfs/dbraw/zinc/02/06/60/270020660.db2.gz	QOFWKPHJNFINPB-UHFFFAOYSA-N	-2	3	331.353	2.347	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547890706	318332030	/nfs/dbraw/zinc/33/20/30/318332030.db2.gz	ZCGDTJIZYKJLIE-JSGCOSHPSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CC(C)(CC[N-]S(=O)(=O)c1ccsc1C#N)CCC(=O)[O-]	ZINC000593257022	468919165	/nfs/dbraw/zinc/91/91/65/468919165.db2.gz	WBZCVNXDPCDJTF-UHFFFAOYSA-N	-2	3	330.431	2.179	10	30		EEEEHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1	ZINC000184240711	235344511	/nfs/dbraw/zinc/34/45/11/235344511.db2.gz	CUDMPXCBFGOLAO-UHFFFAOYSA-N	-2	3	343.358	2.183	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000317304233	466580116	/nfs/dbraw/zinc/58/01/16/466580116.db2.gz	UFIUEEXPHISFHL-JSGCOSHPSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN=c1cc[n-]n1C	ZINC000814907316	1199791079	/nfs/dbraw/zinc/79/10/79/1199791079.db2.gz	DBEKBANPSRPGJH-ZDUSSCGKSA-N	-2	3	330.388	2.115	10	30		EEEEHL
COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C#N)ccc1[O-])c2=O	ZINC001182879013	801382284	/nfs/dbraw/zinc/38/22/84/801382284.db2.gz	OOSGOPMYSCBACC-UHFFFAOYSA-N	-2	3	335.319	2.366	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)s1	ZINC000619546544	469635666	/nfs/dbraw/zinc/63/56/66/469635666.db2.gz	HVVONPXDXWWLQO-VIFPVBQESA-N	-2	3	342.423	2.176	10	30		EEEEHL
N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(Cl)c1	ZINC000225226285	160216987	/nfs/dbraw/zinc/21/69/87/160216987.db2.gz	ODGHSDDFEMZCDB-UHFFFAOYSA-N	-2	3	325.733	2.039	10	30		EEEEHL
COc1ccc([O-])c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1	ZINC000345470072	161304128	/nfs/dbraw/zinc/30/41/28/161304128.db2.gz	FCNJPXCYGQRQDT-UHFFFAOYSA-N	-2	3	331.353	2.347	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000548218618	318365835	/nfs/dbraw/zinc/36/58/35/318365835.db2.gz	ASLDEYOLGGLYTR-JSGCOSHPSA-N	-2	3	342.804	2.133	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-]	ZINC000593271571	468924371	/nfs/dbraw/zinc/92/43/71/468924371.db2.gz	KAFMCPTTXAACKY-MNOVXSKESA-N	-2	3	342.442	2.322	10	30		EEEEHL
N#Cc1cccc(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1	ZINC000319585910	466597415	/nfs/dbraw/zinc/59/74/15/466597415.db2.gz	UBKLBODFXCTXNO-UHFFFAOYSA-N	-2	3	334.328	2.337	10	30		EEEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000584454486	468874525	/nfs/dbraw/zinc/87/45/25/468874525.db2.gz	LAVXHISEBLBEAE-SECBINFHSA-N	-2	3	337.319	2.403	10	30		EEEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(OC)ccc1Cl	ZINC000560492755	468819017	/nfs/dbraw/zinc/81/90/17/468819017.db2.gz	BTKNASOMEIRNGR-VIFPVBQESA-N	-2	3	333.793	2.046	10	30		EEEEHL
C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256926	468918962	/nfs/dbraw/zinc/91/89/62/468918962.db2.gz	PLMJOMCPVOUXFL-NXEZZACHSA-N	-2	3	330.431	2.178	10	30		EEEEHL
CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593255904	468919013	/nfs/dbraw/zinc/91/90/13/468919013.db2.gz	FTXCWZONIFUIAR-NXEZZACHSA-N	-2	3	330.431	2.178	10	30		EEEEHL
C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl	ZINC000054156535	214221187	/nfs/dbraw/zinc/22/11/87/214221187.db2.gz	DYJRLNGEPPMEJT-ZCFIWIBFSA-N	-2	3	337.184	2.130	10	30		EEEEHL
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC000054176942	214222517	/nfs/dbraw/zinc/22/25/17/214222517.db2.gz	JJSKHCCDXFAGAD-MRVPVSSYSA-N	-2	3	334.756	2.148	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547890711	318332058	/nfs/dbraw/zinc/33/20/58/318332058.db2.gz	ZCGDTJIZYKJLIE-TZMCWYRMSA-N	-2	3	342.804	2.133	10	30		EEEEHL
C=CC(C)(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000629333078	469510879	/nfs/dbraw/zinc/51/08/79/469510879.db2.gz	XBNONOUGVDSKSW-UHFFFAOYSA-N	-2	3	333.431	2.336	10	30		EEEEHL
CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000401304346	467459116	/nfs/dbraw/zinc/45/91/16/467459116.db2.gz	GHDUDJYLUPNEKA-NSHDSACASA-N	-2	3	344.820	2.379	10	30		EEEEHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000519713284	468198867	/nfs/dbraw/zinc/19/88/67/468198867.db2.gz	SPVLJEZKLDMRID-LBPRGKRZSA-N	-2	3	344.820	2.379	10	30		EEEEHL
CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261330	468921034	/nfs/dbraw/zinc/92/10/34/468921034.db2.gz	DOZYTRKLJUTLLG-SECBINFHSA-N	-2	3	330.431	2.178	10	30		EEEEHL
CCOC(=O)c1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c([O-])c1	ZINC001466544065	1110437911	/nfs/dbraw/zinc/43/79/11/1110437911.db2.gz	JFSACCUEALENJB-UHFFFAOYSA-N	-2	3	341.323	2.102	10	30		EEEEHL
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC000054176940	214222284	/nfs/dbraw/zinc/22/22/84/214222284.db2.gz	JJSKHCCDXFAGAD-QMMMGPOBSA-N	-2	3	334.756	2.148	10	30		EEEEHL
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(F)c1	ZINC000131384356	292387172	/nfs/dbraw/zinc/38/71/72/292387172.db2.gz	GULBLFLEVLBLDC-UHFFFAOYSA-N	-2	3	328.271	2.482	10	30		EEEEHL
CC(C)(CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000548218704	318365863	/nfs/dbraw/zinc/36/58/63/318365863.db2.gz	CIHQKWCPTCEWDN-UHFFFAOYSA-N	-2	3	344.820	2.381	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)s1	ZINC000580396254	324052029	/nfs/dbraw/zinc/05/20/29/324052029.db2.gz	JLZJAZKTOMWAGJ-JTQLQIEISA-N	-2	3	342.423	2.176	10	30		EEEEHL
C=CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000517957970	468103187	/nfs/dbraw/zinc/10/31/87/468103187.db2.gz	WURRFQSUNPAJHT-UHFFFAOYSA-N	-2	3	342.373	2.318	10	30		EEEEHL
C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256928	468919051	/nfs/dbraw/zinc/91/90/51/468919051.db2.gz	PLMJOMCPVOUXFL-VHSXEESVSA-N	-2	3	330.431	2.178	10	30		EEEEHL
N#CCC1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CC1	ZINC000564731129	469257425	/nfs/dbraw/zinc/25/74/25/469257425.db2.gz	KGLJRHKNOFNAOT-UHFFFAOYSA-N	-2	3	328.777	2.474	10	30		EEEEHL
C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl	ZINC000054156537	214220990	/nfs/dbraw/zinc/22/09/90/214220990.db2.gz	DYJRLNGEPPMEJT-LURJTMIESA-N	-2	3	337.184	2.130	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000593261319	468921095	/nfs/dbraw/zinc/92/10/95/468921095.db2.gz	HUKXTGNEAXSWCZ-WDEREUQCSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000630438554	469851849	/nfs/dbraw/zinc/85/18/49/469851849.db2.gz	RKHQITAKLLFNLN-SSDOTTSWSA-N	-2	3	343.348	2.465	10	30		EEEEHL
C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414346237	467405578	/nfs/dbraw/zinc/40/55/78/467405578.db2.gz	PVDAZDLGRQUBKB-UHFFFAOYSA-N	-2	3	342.373	2.174	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-]	ZINC000593271570	468924557	/nfs/dbraw/zinc/92/45/57/468924557.db2.gz	KAFMCPTTXAACKY-GHMZBOCLSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000776597452	577463878	/nfs/dbraw/zinc/46/38/78/577463878.db2.gz	QBAWFSFZFPETBM-NSHDSACASA-N	-2	3	335.784	2.485	10	30		EEEEHL
O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc([O-])cc1[O-]	ZINC000156634306	463050626	/nfs/dbraw/zinc/05/06/26/463050626.db2.gz	UHZWQPZGTOKBAE-DUXPYHPUSA-N	-2	3	332.381	2.287	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000317804229	466583290	/nfs/dbraw/zinc/58/32/90/466583290.db2.gz	TVBRLMYGJLBRLK-GXTWGEPZSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593255907	468918856	/nfs/dbraw/zinc/91/88/56/468918856.db2.gz	FTXCWZONIFUIAR-ZJUUUORDSA-N	-2	3	330.431	2.178	10	30		EEEEHL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCCCC#N	ZINC000274990501	464760431	/nfs/dbraw/zinc/76/04/31/464760431.db2.gz	KPBJGSORAUCRIQ-UHFFFAOYSA-N	-2	3	340.401	2.148	10	30		EEEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])CCCC1	ZINC000548195882	468431963	/nfs/dbraw/zinc/43/19/63/468431963.db2.gz	DFYKFCIAIQBWIN-UHFFFAOYSA-N	-2	3	326.349	2.350	10	30		EEEEHL
CCCc1nc(=NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s[n-]1	ZINC000338642877	466285378	/nfs/dbraw/zinc/28/53/78/466285378.db2.gz	SUSGJKSXCWYCGK-UHFFFAOYSA-N	-2	3	345.428	2.073	10	30		EEEEHL
CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593255906	468919183	/nfs/dbraw/zinc/91/91/83/468919183.db2.gz	FTXCWZONIFUIAR-VHSXEESVSA-N	-2	3	330.431	2.178	10	30		EEEEHL
N#CCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl	ZINC000054137494	214219389	/nfs/dbraw/zinc/21/93/89/214219389.db2.gz	GYWUDWOIAYMVCL-UHFFFAOYSA-N	-2	3	337.184	2.274	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000317304605	466579439	/nfs/dbraw/zinc/57/94/39/466579439.db2.gz	UFIUEEXPHISFHL-TZMCWYRMSA-N	-2	3	342.804	2.133	10	30		EEEEHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000584840167	468947391	/nfs/dbraw/zinc/94/73/91/468947391.db2.gz	OXSWDIOPNWPNIB-LBPRGKRZSA-N	-2	3	344.820	2.379	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1	ZINC000388899564	467397792	/nfs/dbraw/zinc/39/77/92/467397792.db2.gz	MIDJJUIAVQBPNC-UHFFFAOYSA-N	-2	3	337.744	2.106	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)s1	ZINC000619546543	469635816	/nfs/dbraw/zinc/63/58/16/469635816.db2.gz	HVVONPXDXWWLQO-SECBINFHSA-N	-2	3	342.423	2.176	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000317304231	311591967	/nfs/dbraw/zinc/59/19/67/311591967.db2.gz	UFIUEEXPHISFHL-GXTWGEPZSA-N	-2	3	342.804	2.133	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1	ZINC000562436175	468958575	/nfs/dbraw/zinc/95/85/75/468958575.db2.gz	DBGDGGFPMKSFGA-NWDGAFQWSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccsc2C#N)(CC(=O)[O-])C1	ZINC000593266876	468923683	/nfs/dbraw/zinc/92/36/83/468923683.db2.gz	ZBXWKKOMDXJGGQ-IINYFYTJSA-N	-2	3	342.442	2.179	10	30		EEEEHL
C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl	ZINC000050391948	214055695	/nfs/dbraw/zinc/05/56/95/214055695.db2.gz	FNOMWYBGAGOPOL-ZCFIWIBFSA-N	-2	3	337.184	2.272	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-]	ZINC000593271573	468924398	/nfs/dbraw/zinc/92/43/98/468924398.db2.gz	KAFMCPTTXAACKY-WDEREUQCSA-N	-2	3	342.442	2.322	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])s1	ZINC000562436174	518196681	/nfs/dbraw/zinc/19/66/81/518196681.db2.gz	DBGDGGFPMKSFGA-NEPJUHHUSA-N	-2	3	342.442	2.322	10	30		EEEEHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CC1CCCC1)C(=O)[O-]	ZINC000548214893	318365815	/nfs/dbraw/zinc/36/58/15/318365815.db2.gz	YXPRTWKMJJYLBL-CYBMUJFWSA-N	-2	3	340.376	2.009	10	30		EEEEHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000569104660	319546967	/nfs/dbraw/zinc/54/69/67/319546967.db2.gz	PVLMMZAOAGROGQ-GFCCVEGCSA-N	-2	3	344.820	2.379	10	30		EEEEHL
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)/N=C/c1ccccc1[O-]	ZINC000020220425	212113362	/nfs/dbraw/zinc/11/33/62/212113362.db2.gz	NRASWPMFNYVTLM-SGPNVBEDSA-N	-2	3	344.323	2.209	10	30		EEEEHL
CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593255905	468919200	/nfs/dbraw/zinc/91/92/00/468919200.db2.gz	FTXCWZONIFUIAR-UWVGGRQHSA-N	-2	3	330.431	2.178	10	30		EEEEHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000569104661	319547086	/nfs/dbraw/zinc/54/70/86/319547086.db2.gz	PVLMMZAOAGROGQ-LBPRGKRZSA-N	-2	3	344.820	2.379	10	30		EEEEHL
CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN=c1cc[n-]n1C	ZINC000814907765	1199791224	/nfs/dbraw/zinc/79/12/24/1199791224.db2.gz	ZAGMHPRVXBZXRM-UHFFFAOYSA-N	-2	3	330.388	2.116	10	30		EEEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2[O-])CCCCC1	ZINC000562319344	468936010	/nfs/dbraw/zinc/93/60/10/468936010.db2.gz	SADRMRDCAWOOFA-UHFFFAOYSA-N	-3	3	338.385	2.306	10	30		EEEEHL
COc1cc(Br)cc(C=Nn2cn[n-]c2=S)c1[O-]	ZINC000252630184	464985389	/nfs/dbraw/zinc/98/53/89/464985389.db2.gz	UWPOCJHBDJAXER-UHFFFAOYSA-N	-2	3	329.179	2.300	10	30		EEEEHL
N#CCC1(CS(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)CC1	ZINC000515657332	468000397	/nfs/dbraw/zinc/00/03/97/468000397.db2.gz	STQXJKLVDUSMNA-UHFFFAOYSA-N	-2	3	330.312	2.099	10	30		EEEEHL
CC1([C@H]([N-]S(=O)(=O)c2ccsc2C#N)C(=O)[O-])CCCCC1	ZINC000593270344	468924713	/nfs/dbraw/zinc/92/47/13/468924713.db2.gz	AAUPGVZGCMWDLA-GFCCVEGCSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000054156569	214220738	/nfs/dbraw/zinc/22/07/38/214220738.db2.gz	SGECLBPCMIJIHL-LURJTMIESA-N	-2	3	337.184	2.130	10	30		EEEEHL
COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1C#N	ZINC000195503508	256012658	/nfs/dbraw/zinc/01/26/58/256012658.db2.gz	GJIWXZVQPYKOQJ-QPJJXVBHSA-N	-2	3	339.351	2.146	10	30		EEEEHL
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N([O-])Cc1ccccc1Cl	ZINC001458001766	1109821608	/nfs/dbraw/zinc/82/16/08/1109821608.db2.gz	ISSQOVOUZZYZSK-UHFFFAOYSA-N	-2	3	346.730	2.121	10	30		EEEEHL
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc([O-])cn2)C1=O	ZINC001156424298	1318006086	/nfs/dbraw/zinc/00/60/86/1318006086.db2.gz	KFDXGVVJTBIBLO-KRWDZBQOSA-N	-2	3	348.403	2.103	10	30		EEEEHL
C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000050392001	214056012	/nfs/dbraw/zinc/05/60/12/214056012.db2.gz	KYSZUBFQQFCQPU-LURJTMIESA-N	-2	3	337.184	2.272	10	30		EEEEHL
N#CC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000282186120	464727086	/nfs/dbraw/zinc/72/70/86/464727086.db2.gz	NMMNJJMBIZTSLD-UHFFFAOYSA-N	-2	3	328.415	2.055	10	30		EEEEHL
N#Cc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1	ZINC000319980658	466601260	/nfs/dbraw/zinc/60/12/60/466601260.db2.gz	JNUQPXALYUOOGC-UHFFFAOYSA-N	-2	3	334.328	2.337	10	30		EEEEHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000519605644	468181477	/nfs/dbraw/zinc/18/14/77/468181477.db2.gz	JFIPDIFYPNBXKD-GFCCVEGCSA-N	-2	3	344.820	2.379	10	30		EEEEHL
C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000317804230	311592339	/nfs/dbraw/zinc/59/23/39/311592339.db2.gz	TVBRLMYGJLBRLK-JSGCOSHPSA-N	-2	3	342.804	2.133	10	30		EEEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000573421482	469128166	/nfs/dbraw/zinc/12/81/66/469128166.db2.gz	VNHSJYLJVDLTHY-SECBINFHSA-N	-2	3	335.784	2.485	10	30		EEEEHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-]	ZINC000650412445	470873882	/nfs/dbraw/zinc/87/38/82/470873882.db2.gz	FPZOETLIMCGTTH-LBPRGKRZSA-N	-2	3	337.422	2.355	10	30		EEEEHL
Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C(=O)[O-])cc1	ZINC000776499283	577461000	/nfs/dbraw/zinc/46/10/00/577461000.db2.gz	FAMTXRXFTSALHK-OAHLLOKOSA-N	-2	3	348.355	2.110	10	30		EEEEHL
N#Cc1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1	ZINC000390995098	467417467	/nfs/dbraw/zinc/41/74/67/467417467.db2.gz	OHLDLMBXHWWKBO-UHFFFAOYSA-N	-2	3	334.328	2.337	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000593261295	468920640	/nfs/dbraw/zinc/92/06/40/468920640.db2.gz	HUKXTGNEAXSWCZ-GHMZBOCLSA-N	-2	3	342.442	2.322	10	30		EEEEHL
Cc1cc(Cl)cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1[O-]	ZINC000774590162	577405509	/nfs/dbraw/zinc/40/55/09/577405509.db2.gz	RXMWZDVIHHJZTN-UHFFFAOYSA-N	-2	3	349.799	2.427	10	30		EEEEHL
O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N([O-])Cc1ccc(F)cc1	ZINC001559036645	1342496051	/nfs/dbraw/zinc/49/60/51/1342496051.db2.gz	RQKDPKMRVMYXOW-UHFFFAOYSA-N	-2	3	329.287	2.201	10	30		EEEEHL
C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547890704	318332121	/nfs/dbraw/zinc/33/21/21/318332121.db2.gz	ZCGDTJIZYKJLIE-GXTWGEPZSA-N	-2	3	342.804	2.133	10	30		EEEEHL
N#Cc1cccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1	ZINC000319666834	466597360	/nfs/dbraw/zinc/59/73/60/466597360.db2.gz	GHZNUSKATMAWKV-UHFFFAOYSA-N	-2	3	334.328	2.337	10	30		EEEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(OC)ccc1Cl	ZINC000560492754	468818868	/nfs/dbraw/zinc/81/88/68/468818868.db2.gz	BTKNASOMEIRNGR-SECBINFHSA-N	-2	3	333.793	2.046	10	30		EEEEHL
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN=c1cc[n-]n1C	ZINC000814907315	1199791001	/nfs/dbraw/zinc/79/10/01/1199791001.db2.gz	DBEKBANPSRPGJH-CYBMUJFWSA-N	-2	3	330.388	2.115	10	30		EEEEHL
Cc1cc(C)n(C(=O)CSc2nc([N-]N=Cc3ccco3)n[n-]2)n1	ZINC000006271254	524499912	/nfs/dbraw/zinc/49/99/12/524499912.db2.gz	FPADRTGQDXNUSL-VIZOYTHASA-N	-2	3	345.388	2.090	10	30		EEEEHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000519713250	468198216	/nfs/dbraw/zinc/19/82/16/468198216.db2.gz	SPVLJEZKLDMRID-GFCCVEGCSA-N	-2	3	344.820	2.379	10	30		EEEEHL
Cc1nn(C2CCCC2)cc1/C=C\C(=O)c1c([O-])[n-]c(=O)sc1=O	ZINC000096854237	302803406	/nfs/dbraw/zinc/80/34/06/302803406.db2.gz	YNNASEGQNSBZNK-SREVYHEPSA-N	-2	3	347.396	2.018	10	30		EEEEHL
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc([O-])cn2)C1=O	ZINC001156424301	1318006004	/nfs/dbraw/zinc/00/60/04/1318006004.db2.gz	KFDXGVVJTBIBLO-QGZVFWFLSA-N	-2	3	348.403	2.103	10	30		EEEEHL
CSc1[n-]c(=O)c(C(=O)Nc2cc(C(F)(F)F)[n-]n2)cc1C#N	ZINC000448513517	467591836	/nfs/dbraw/zinc/59/18/36/467591836.db2.gz	GZOKQEOEECWLQV-UHFFFAOYSA-N	-2	3	343.290	2.375	10	30		EEEEHL
C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593256929	468918915	/nfs/dbraw/zinc/91/89/15/468918915.db2.gz	PLMJOMCPVOUXFL-ZJUUUORDSA-N	-2	3	330.431	2.178	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c(F)c1	ZINC000548548121	318395609	/nfs/dbraw/zinc/39/56/09/318395609.db2.gz	ACSTULGOJGSSEH-CYBMUJFWSA-N	-2	3	340.376	2.009	10	30		EEEEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)s1	ZINC000580396255	324051764	/nfs/dbraw/zinc/05/17/64/324051764.db2.gz	JLZJAZKTOMWAGJ-SNVBAGLBSA-N	-2	3	342.423	2.176	10	30		EEEEHL
C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC000050392002	214055523	/nfs/dbraw/zinc/05/55/23/214055523.db2.gz	KYSZUBFQQFCQPU-ZCFIWIBFSA-N	-2	3	337.184	2.272	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000593261305	468921030	/nfs/dbraw/zinc/92/10/30/468921030.db2.gz	HUKXTGNEAXSWCZ-MNOVXSKESA-N	-2	3	342.442	2.322	10	30		EEEEHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-]	ZINC000650412444	470873902	/nfs/dbraw/zinc/87/39/02/470873902.db2.gz	FPZOETLIMCGTTH-GFCCVEGCSA-N	-2	3	337.422	2.355	10	30		EEEEHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000593261312	468920959	/nfs/dbraw/zinc/92/09/59/468920959.db2.gz	HUKXTGNEAXSWCZ-QWRGUYRKSA-N	-2	3	342.442	2.322	10	30		EEEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000573421483	469127675	/nfs/dbraw/zinc/12/76/75/469127675.db2.gz	VNHSJYLJVDLTHY-VIFPVBQESA-N	-2	3	335.784	2.485	10	30		EEEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC000548242131	468432171	/nfs/dbraw/zinc/43/21/71/468432171.db2.gz	BGOLTUJSXUUBBH-UHFFFAOYSA-N	-2	3	326.349	2.350	10	30		EEEEHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000519605792	468181339	/nfs/dbraw/zinc/18/13/39/468181339.db2.gz	JFIPDIFYPNBXKD-LBPRGKRZSA-N	-2	3	344.820	2.379	10	30		EEEEHL
C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256927	468919233	/nfs/dbraw/zinc/91/92/33/468919233.db2.gz	PLMJOMCPVOUXFL-UWVGGRQHSA-N	-2	3	330.431	2.178	10	30		EEEEHL