smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000556714758	448141141	/nfs/dbraw/zinc/14/11/41/448141141.db2.gz	RGQMNXMAEAEYPU-QMMMGPOBSA-N	-2	1	348.764	1.946	20	30		EDEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)[O-]	ZINC000776597036	580423552	/nfs/dbraw/zinc/42/35/52/580423552.db2.gz	LZAHRWBOQXQNAR-LLVKDONJSA-N	-2	1	335.328	1.671	20	30		EDEDML
C=CCOC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)[O-]	ZINC000909770481	592828696	/nfs/dbraw/zinc/82/86/96/592828696.db2.gz	JWWOXTVYSVZTBX-SNVBAGLBSA-N	-2	1	333.262	1.797	20	30		EDEDML
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000814842799	593604485	/nfs/dbraw/zinc/60/44/85/593604485.db2.gz	FJKZCAOQGGDSDB-UHFFFAOYSA-N	-2	1	326.316	1.193	20	30		EDEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822160949	594002170	/nfs/dbraw/zinc/00/21/70/594002170.db2.gz	MFCRFLLDURWPGS-UHFFFAOYSA-N	-2	1	347.385	1.304	20	30		EDEDML
Cc1cc(Cl)c(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1C	ZINC000826267541	594404147	/nfs/dbraw/zinc/40/41/47/594404147.db2.gz	KGHAMQCAFWWDKF-UHFFFAOYSA-N	-2	1	342.750	1.984	20	30		EDEDML
Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000612368383	449665118	/nfs/dbraw/zinc/66/51/18/449665118.db2.gz	NKMNWFPXUQYPAD-MRXNPFEDSA-N	-2	1	327.344	1.510	20	30		EDEDML
O=C([O-])c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000748248716	579677107	/nfs/dbraw/zinc/67/71/07/579677107.db2.gz	VNZLBSMJWKZCSE-UHFFFAOYSA-N	-2	1	349.324	1.605	20	30		EDEDML
COc1cc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc([N+](=O)[O-])c1[O-]	ZINC000764640432	580125463	/nfs/dbraw/zinc/12/54/63/580125463.db2.gz	LMAZYGNVOINGEC-UHFFFAOYSA-N	-2	1	333.304	1.949	20	30		EDEDML
O=C1[N-]C(=O)C(=N[N-]c2nc(Cl)c(Cl)cc2Cl)C(=O)N1	ZINC000814215055	593578960	/nfs/dbraw/zinc/57/89/60/593578960.db2.gz	LNFPQOMJSUCVGP-UHFFFAOYSA-N	-2	1	336.522	1.176	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)o1	ZINC000558473676	321014291	/nfs/dbraw/zinc/01/42/91/321014291.db2.gz	ZHWHSGJRDYXZEJ-LBPRGKRZSA-N	-2	1	338.316	1.785	20	30		EDEDML
Cc1cc(C(=O)N2CCC(CC#N)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000542919430	448731713	/nfs/dbraw/zinc/73/17/13/448731713.db2.gz	IYWXRMNCPDZVQN-UHFFFAOYSA-N	-2	1	327.344	1.510	20	30		EDEDML
N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1	ZINC000619463170	450481825	/nfs/dbraw/zinc/48/18/25/450481825.db2.gz	NMMDDHPIKVUJTC-UHFFFAOYSA-N	-2	1	332.337	1.957	20	30		EDEDML
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000630437653	451194283	/nfs/dbraw/zinc/19/42/83/451194283.db2.gz	GRWGNRXIKCWQOW-SECBINFHSA-N	-2	1	338.307	1.798	20	30		EDEDML
CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814848659	593605100	/nfs/dbraw/zinc/60/51/00/593605100.db2.gz	YVXAJFTWPYPNAT-KOLCDFICSA-N	-2	1	346.391	1.994	20	30		EDEDML
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C#N	ZINC000826299823	594414046	/nfs/dbraw/zinc/41/40/46/594414046.db2.gz	WSXUBPLEWWFIOH-UHFFFAOYSA-N	-2	1	341.356	1.243	20	30		EDEDML
Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C#N	ZINC000826299823	594414047	/nfs/dbraw/zinc/41/40/47/594414047.db2.gz	WSXUBPLEWWFIOH-UHFFFAOYSA-N	-2	1	341.356	1.243	20	30		EDEDML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000547870934	306114193	/nfs/dbraw/zinc/11/41/93/306114193.db2.gz	OOVYBRMQJMADFK-UHFFFAOYSA-N	-3	1	346.320	1.755	20	30		EDEDML
CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])C1(C)C	ZINC000554430445	306191152	/nfs/dbraw/zinc/19/11/52/306191152.db2.gz	MELYSVZLOZWCLR-IINYFYTJSA-N	-2	1	342.373	1.088	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000556714757	448141494	/nfs/dbraw/zinc/14/14/94/448141494.db2.gz	RGQMNXMAEAEYPU-MRVPVSSYSA-N	-2	1	348.764	1.946	20	30		EDEDML
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000737675158	578322677	/nfs/dbraw/zinc/32/26/77/578322677.db2.gz	YZFMFVQXHGOAMQ-LBPRGKRZSA-N	-2	1	339.359	1.033	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2c[nH]c(-c3ccccc3)n2)nc1-c1nn[n-]n1	ZINC000737704454	578532062	/nfs/dbraw/zinc/53/20/62/578532062.db2.gz	GCTYCIGWCLCDLM-UHFFFAOYSA-N	-2	1	346.314	1.104	20	30		EDEDML
C[C@H](CC#N)N(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736540753	578997363	/nfs/dbraw/zinc/99/73/63/578997363.db2.gz	KPQIOPVQZQHRJX-LLVKDONJSA-N	-2	1	342.355	1.167	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(F)c(F)c2F)nc1-c1nn[n-]n1	ZINC000822814523	594105290	/nfs/dbraw/zinc/10/52/90/594105290.db2.gz	HQWQSKXQLMEDQN-UHFFFAOYSA-N	-2	1	334.221	1.131	20	30		EDEDML
Cc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)sc1C(=O)[O-]	ZINC000287257007	443739663	/nfs/dbraw/zinc/73/96/63/443739663.db2.gz	PUWKKPORBWDMCV-UHFFFAOYSA-N	-2	1	341.370	1.135	20	30		EDEDML
C=CCC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000562644634	448263404	/nfs/dbraw/zinc/26/34/04/448263404.db2.gz	DVMFSXDWYPAWKY-ZETCQYMHSA-N	-2	1	341.311	1.137	20	30		EDEDML
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000574193626	448814481	/nfs/dbraw/zinc/81/44/81/448814481.db2.gz	ZJQWQYSKRGWIGA-ONGXEEELSA-N	-2	1	330.344	1.065	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683363	579606559	/nfs/dbraw/zinc/60/65/59/579606559.db2.gz	JRHRUDNGEZQULB-FUTAKVPZSA-N	-2	1	344.319	1.768	20	30		EDEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000542857783	448728296	/nfs/dbraw/zinc/72/82/96/448728296.db2.gz	FBYVKBMNHTZXCN-SSDOTTSWSA-N	-2	1	336.163	1.187	20	30		EDEDML
N#Cc1[n-]c(NC(=O)CC/C=C/c2ccccc2)nc1-c1nn[n-]n1	ZINC000737705957	578538438	/nfs/dbraw/zinc/53/84/38/578538438.db2.gz	RUUBJYRUEVIMQW-XBXARRHUSA-N	-2	1	334.343	1.894	20	30		EDEDML
N#CCN1CCC(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1	ZINC000831102786	594557200	/nfs/dbraw/zinc/55/72/00/594557200.db2.gz	UMYNYVWOSFMKCA-UHFFFAOYSA-N	-2	1	332.360	1.447	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cc3cc(F)ccc3o2)nc1-c1nn[n-]n1	ZINC000737704706	578533187	/nfs/dbraw/zinc/53/31/87/578533187.db2.gz	IWGAKIUSSLFIQU-UHFFFAOYSA-N	-2	1	338.262	1.599	20	30		EDEDML
O=c1cn[n-]c(=S)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000766475639	580167981	/nfs/dbraw/zinc/16/79/81/580167981.db2.gz	UTYOWDYAEVIUBK-UHFFFAOYSA-N	-2	1	327.709	1.076	20	30		EDEDML
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821056119	593954971	/nfs/dbraw/zinc/95/49/71/593954971.db2.gz	LIDSZYRMNDTOED-JTQLQIEISA-N	-2	1	346.416	1.947	20	30		EDEDML
CC(C)[C@H]1CC[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1	ZINC000824342190	593989763	/nfs/dbraw/zinc/98/97/63/593989763.db2.gz	MMGPCDVELLLXEL-MGCOHNPYSA-N	-2	1	328.380	1.862	20	30		EDEDML
C[C@H]1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC(C)(C)C1	ZINC000824868046	594087639	/nfs/dbraw/zinc/08/76/39/594087639.db2.gz	SJUOOZYESRKESV-IUCAKERBSA-N	-2	1	328.380	1.862	20	30		EDEDML
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000831086281	594552302	/nfs/dbraw/zinc/55/23/02/594552302.db2.gz	CYKBVSIGZFKWKU-GFCCVEGCSA-N	-2	1	325.324	1.873	20	30		EDEDML
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000563959996	448319809	/nfs/dbraw/zinc/31/98/09/448319809.db2.gz	LOGQVRDXXDHWJA-UHFFFAOYSA-N	-2	1	341.345	1.975	20	30		EDEDML
C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1	ZINC000730996529	578665126	/nfs/dbraw/zinc/66/51/26/578665126.db2.gz	ULOSZQDMJDQMLY-UHFFFAOYSA-N	-2	1	334.353	1.536	20	30		EDEDML
C[C@H](CCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1	ZINC000824400693	594003355	/nfs/dbraw/zinc/00/33/55/594003355.db2.gz	KRSGYMNCQCXFGF-SNVBAGLBSA-N	-2	1	336.359	1.984	20	30		EDEDML
Cc1nc(CCCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cs1	ZINC000822435658	594048200	/nfs/dbraw/zinc/04/82/00/594048200.db2.gz	AANRURCVOZHVSF-UHFFFAOYSA-N	-2	1	343.376	1.188	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)nc1-c1nn[n-]n1	ZINC000822815495	594105757	/nfs/dbraw/zinc/10/57/57/594105757.db2.gz	RPQGOHZZZMLYTR-PIGZYNQJSA-N	-2	1	346.354	1.304	20	30		EDEDML
C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000864453045	596242088	/nfs/dbraw/zinc/24/20/88/596242088.db2.gz	WBCAPJNXGLUIPX-ZETCQYMHSA-N	-2	1	338.179	1.740	20	30		EDEDML
O=C([O-])c1ccccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21	ZINC000914599529	695590402	/nfs/dbraw/zinc/59/04/02/695590402.db2.gz	FPLBFKAVYNDERL-UHFFFAOYSA-N	-2	1	329.337	1.457	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)o1	ZINC000575944932	306674684	/nfs/dbraw/zinc/67/46/84/306674684.db2.gz	LCVJOARIJDATHM-JTQLQIEISA-N	-2	1	326.355	1.707	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])o1	ZINC000287415678	268204699	/nfs/dbraw/zinc/20/46/99/268204699.db2.gz	FMWSIQACNINNDQ-VXGBXAGGSA-N	-2	1	326.374	1.853	20	30		EDEDML
Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000338378132	444663122	/nfs/dbraw/zinc/66/31/22/444663122.db2.gz	HMZXAOJFGYBJJY-MRVPVSSYSA-N	-2	1	327.344	1.509	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000560492780	448221801	/nfs/dbraw/zinc/22/18/01/448221801.db2.gz	CSTIBADWKDTKOL-VIFPVBQESA-N	-2	1	348.764	1.946	20	30		EDEDML
CCN(CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(=O)[O-]	ZINC000739397798	579200662	/nfs/dbraw/zinc/20/06/62/579200662.db2.gz	CPJPWODBCLZRMA-SECBINFHSA-N	-2	1	325.346	1.171	20	30		EDEDML
Cc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(F)cc1F	ZINC000822184182	594004778	/nfs/dbraw/zinc/00/47/78/594004778.db2.gz	ONQQRSIPTKZYMW-UHFFFAOYSA-N	-2	1	330.258	1.300	20	30		EDEDML
CC(C[C@H]1CCCCCN1C(=O)[O-])N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000824758892	594069946	/nfs/dbraw/zinc/06/99/46/594069946.db2.gz	DWNBJTHCVROKSH-SNVBAGLBSA-N	-2	1	347.379	1.533	20	30		EDEDML
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833940498	594969215	/nfs/dbraw/zinc/96/92/15/594969215.db2.gz	OOZYIKLQEGTLQJ-VIFPVBQESA-N	-2	1	336.311	1.943	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)o1	ZINC000287271806	268200019	/nfs/dbraw/zinc/20/00/19/268200019.db2.gz	QTDBVPRYRJCPTM-UHFFFAOYSA-N	-2	1	326.374	1.855	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])o1	ZINC000287414045	268205831	/nfs/dbraw/zinc/20/58/31/268205831.db2.gz	FMWSIQACNINNDQ-NEPJUHHUSA-N	-2	1	326.374	1.853	20	30		EDEDML
CCc1ccc([C@@H](C)C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000736690812	579012660	/nfs/dbraw/zinc/01/26/60/579012660.db2.gz	WASGJTIAKOJAIB-SECBINFHSA-N	-2	1	336.359	1.766	20	30		EDEDML
N#Cc1[n-]c(NC(=O)Cc2cc(F)c(F)cc2F)nc1-c1nn[n-]n1	ZINC000822814236	594105519	/nfs/dbraw/zinc/10/55/19/594105519.db2.gz	CRWRYJQPQZZKKU-UHFFFAOYSA-N	-2	1	348.248	1.060	20	30		EDEDML
C#CC[C@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000843680252	595166323	/nfs/dbraw/zinc/16/63/23/595166323.db2.gz	ZDYACGGRPJJJDO-NSHDSACASA-N	-2	1	326.356	1.620	20	30		EDEDML
CC[C@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1	ZINC000736333440	578979762	/nfs/dbraw/zinc/97/97/62/578979762.db2.gz	QDVWLBKZXQTHMX-SNVBAGLBSA-N	-2	1	336.359	1.984	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(C(F)F)cc2)nc1-c1nn[n-]n1	ZINC000737705779	579125634	/nfs/dbraw/zinc/12/56/34/579125634.db2.gz	QVEFQGPVAOVHSW-UHFFFAOYSA-N	-2	1	330.258	1.651	20	30		EDEDML
CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000824213385	593957920	/nfs/dbraw/zinc/95/79/20/593957920.db2.gz	AKTRFIHKJGTUQX-ONGXEEELSA-N	-2	1	344.379	1.241	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772879	594243690	/nfs/dbraw/zinc/24/36/90/594243690.db2.gz	SDNHAXLSRCIRJY-LLYBFZRZSA-N	-2	1	341.319	1.955	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(OC)cc1F	ZINC000654787618	452923374	/nfs/dbraw/zinc/92/33/74/452923374.db2.gz	XGSISELYOQCOLZ-MRVPVSSYSA-N	-2	1	335.328	1.671	20	30		EDEDML
C[C@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1F	ZINC000735974317	578944531	/nfs/dbraw/zinc/94/45/31/578944531.db2.gz	BWUXXIFBMRVWQT-MRVPVSSYSA-N	-2	1	340.322	1.733	20	30		EDEDML
C[C@@H]1C(=NNc2nc(=O)c3cnn(C)c3[n-]2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814848614	593604984	/nfs/dbraw/zinc/60/49/84/593604984.db2.gz	YCFXEQIWXZXLLZ-PSASIEDQSA-N	-2	1	346.391	1.994	20	30		EDEDML
C[C@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1c(F)cccc1F	ZINC000824052549	593919444	/nfs/dbraw/zinc/91/94/44/593919444.db2.gz	PEPJCOGWUKOOCD-LURJTMIESA-N	-2	1	344.285	1.482	20	30		EDEDML
C[C@@H](CCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1	ZINC000824400690	594003307	/nfs/dbraw/zinc/00/33/07/594003307.db2.gz	KRSGYMNCQCXFGF-JTQLQIEISA-N	-2	1	336.359	1.984	20	30		EDEDML
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000840894315	594824189	/nfs/dbraw/zinc/82/41/89/594824189.db2.gz	QINNEQIRSUSETI-ZJUUUORDSA-N	-2	1	333.312	1.285	20	30		EDEDML
C=C(C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)[O-]	ZINC000864451183	596241377	/nfs/dbraw/zinc/24/13/77/596241377.db2.gz	DQTWNLKEUNCLIB-NSHDSACASA-N	-2	1	335.328	1.671	20	30		EDEDML
Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073766922	301142919	/nfs/dbraw/zinc/14/29/19/301142919.db2.gz	ZPNMTCVNCDMGKT-XYZCENFISA-N	-2	1	341.371	1.534	20	30		EDEDML
N#Cc1[n-]c(NC(=O)CCc2ccc3[nH]ccc3c2)nc1-c1nn[n-]n1	ZINC000826382804	594452503	/nfs/dbraw/zinc/45/25/03/594452503.db2.gz	VOVCLKTYBOBNLC-UHFFFAOYSA-N	-2	1	347.342	1.514	20	30		EDEDML
O=[N+]([O-])c1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1[O-]	ZINC000914600159	695590290	/nfs/dbraw/zinc/59/02/90/695590290.db2.gz	PMNBDZIYUXBGHS-UHFFFAOYSA-N	-2	1	346.324	1.373	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])o1	ZINC000297114294	268205941	/nfs/dbraw/zinc/20/59/41/268205941.db2.gz	GBZIOGNZTFXICC-JQWIXIFHSA-N	-2	1	326.374	1.853	20	30		EDEDML
CCCCCCCCOCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000821056406	593955611	/nfs/dbraw/zinc/95/56/11/593955611.db2.gz	QNJYCRJEFFGCLB-UHFFFAOYSA-N	-2	1	346.395	1.777	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000570050790	447938318	/nfs/dbraw/zinc/93/83/18/447938318.db2.gz	MORNHPGDDLIXSS-SSDOTTSWSA-N	-2	1	341.311	1.137	20	30		EDEDML
C[C@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(F)c1	ZINC000735978454	578944993	/nfs/dbraw/zinc/94/49/93/578944993.db2.gz	WRACIEGLHMXPKZ-MRVPVSSYSA-N	-2	1	340.322	1.733	20	30		EDEDML
CCOc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)ccc1C	ZINC000736625978	579008092	/nfs/dbraw/zinc/00/80/92/579008092.db2.gz	JAQBFHBOGYYEMZ-UHFFFAOYSA-N	-2	1	338.331	1.421	20	30		EDEDML
Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287559812	443747607	/nfs/dbraw/zinc/74/76/07/443747607.db2.gz	ONBBBFJHMXLBCQ-ZDUSSCGKSA-N	-2	1	348.380	1.682	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000596032780	449327958	/nfs/dbraw/zinc/32/79/58/449327958.db2.gz	DXTPOHNONTYMSV-VIFPVBQESA-N	-2	1	331.346	1.072	20	30		EDEDML
CC(C)c1nc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cs1	ZINC000735941439	578939704	/nfs/dbraw/zinc/93/97/04/578939704.db2.gz	YPYIOQKDLAPOLA-UHFFFAOYSA-N	-2	1	329.349	1.294	20	30		EDEDML
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000737225815	579057959	/nfs/dbraw/zinc/05/79/59/579057959.db2.gz	SNXVKXBIJKQIDR-UHFFFAOYSA-N	-2	1	340.368	1.848	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683367	579606590	/nfs/dbraw/zinc/60/65/90/579606590.db2.gz	JRHRUDNGEZQULB-OSJSJHBBSA-N	-2	1	344.319	1.768	20	30		EDEDML
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000833914267	594963644	/nfs/dbraw/zinc/96/36/44/594963644.db2.gz	UCQRGXFUCVZMDG-MRVPVSSYSA-N	-2	1	345.340	1.898	20	30		EDEDML
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000833966060	594976900	/nfs/dbraw/zinc/97/69/00/594976900.db2.gz	HAPMACHZUNPTMC-SECBINFHSA-N	-2	1	343.261	1.739	20	30		EDEDML
O=C([O-])N1CCC[C@@H](C=NN=C2[N-]S(=O)(=O)c3ccccc32)C1	ZINC000834099812	595014193	/nfs/dbraw/zinc/01/41/93/595014193.db2.gz	PZVKEJXQSANTTN-JTQLQIEISA-N	-2	1	336.373	1.101	20	30		EDEDML
Cc1cc(C(=O)N(CCC#N)CCC#N)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000344294027	444884327	/nfs/dbraw/zinc/88/43/27/444884327.db2.gz	ZIPWBUYUVQIWIZ-UHFFFAOYSA-N	-2	1	326.316	1.014	20	30		EDEDML
CSc1nc([O-])c(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cc1C#N	ZINC000600226779	449253478	/nfs/dbraw/zinc/25/34/78/449253478.db2.gz	AKJWEPVHKKIDMU-UHFFFAOYSA-N	-2	1	347.425	1.958	20	30		EDEDML
Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(OCC(=O)[O-])c2)o1	ZINC000737468091	579094998	/nfs/dbraw/zinc/09/49/98/579094998.db2.gz	YKNHUKWHVOMBFX-UHFFFAOYSA-N	-2	1	343.303	1.073	20	30		EDEDML
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCCCC#N	ZINC000274931535	443615479	/nfs/dbraw/zinc/61/54/79/443615479.db2.gz	COJHQDGKAMDQGQ-UHFFFAOYSA-N	-2	1	330.337	1.968	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])o1	ZINC000588316548	448894286	/nfs/dbraw/zinc/89/42/86/448894286.db2.gz	ICBMVJHLORVTPW-GFCCVEGCSA-N	-2	1	334.353	1.373	20	30		EDEDML
CC[C@@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1	ZINC000736333439	578979863	/nfs/dbraw/zinc/97/98/63/578979863.db2.gz	QDVWLBKZXQTHMX-JTQLQIEISA-N	-2	1	336.359	1.984	20	30		EDEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776768783	580428501	/nfs/dbraw/zinc/42/85/01/580428501.db2.gz	MJHVJNDGNPIIMF-UHFFFAOYSA-N	-2	1	330.279	1.105	20	30		EDEDML
CCCC(O)(CCC)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000825242534	594154282	/nfs/dbraw/zinc/15/42/82/594154282.db2.gz	UFUZAFMJVIYKIX-UHFFFAOYSA-N	-2	1	332.368	1.121	20	30		EDEDML
Cc1cccc2[nH]cc(CC(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)c21	ZINC000737409943	579086800	/nfs/dbraw/zinc/08/68/00/579086800.db2.gz	UZXYOIOCAWCIGT-UHFFFAOYSA-N	-2	1	347.342	1.432	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1F	ZINC000793407296	580843598	/nfs/dbraw/zinc/84/35/98/580843598.db2.gz	XZAIUVDQPBQVLX-UHFFFAOYSA-N	-2	1	336.300	1.902	20	30		EDEDML
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000762049702	593424992	/nfs/dbraw/zinc/42/49/92/593424992.db2.gz	DLPDLQIPGFZJCZ-UHFFFAOYSA-N	-2	1	344.389	1.069	20	30		EDEDML
Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000823963221	593895560	/nfs/dbraw/zinc/89/55/60/593895560.db2.gz	YKGOINQYQODPKU-UHFFFAOYSA-N	-3	1	344.291	1.613	20	30		EDEDML
CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000554533110	306194828	/nfs/dbraw/zinc/19/48/28/306194828.db2.gz	IAQOJZKXJYBGRR-NSHDSACASA-N	-2	1	344.414	1.582	20	30		EDEDML
N#CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000436894312	446739304	/nfs/dbraw/zinc/73/93/04/446739304.db2.gz	QMXZECVIXVZNAP-UHFFFAOYSA-N	-2	1	332.337	1.957	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@@H]2CSc3ccccc32)nc1-c1nn[n-]n1	ZINC000737706074	578540353	/nfs/dbraw/zinc/54/03/53/578540353.db2.gz	VSXNITNURRHGDI-MRVPVSSYSA-N	-2	1	338.356	1.289	20	30		EDEDML
CCn1c(C)cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1C	ZINC000736720132	579015115	/nfs/dbraw/zinc/01/51/15/579015115.db2.gz	IYHJDCNLYZSMAY-UHFFFAOYSA-N	-2	1	325.336	1.152	20	30		EDEDML
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2	ZINC000416958273	447727652	/nfs/dbraw/zinc/72/76/52/447727652.db2.gz	XUMRYNSLNJQQQF-VIFPVBQESA-N	-2	1	340.357	1.590	20	30		EDEDML
COc1ccc([C@@H](C)C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000737073504	579045089	/nfs/dbraw/zinc/04/50/89/579045089.db2.gz	SHJNUGKWVPGBFE-MRVPVSSYSA-N	-2	1	338.331	1.212	20	30		EDEDML
C[C@H]1C(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC[C@H]1CC(=O)[O-]	ZINC000814799029	593603474	/nfs/dbraw/zinc/60/34/74/593603474.db2.gz	RWVRZTGIHFSMKH-ZJUUUORDSA-N	-2	1	335.385	1.602	20	30		EDEDML
CC(C[C@@H]1CCCCCN1C(=O)[O-])N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000824758891	594069796	/nfs/dbraw/zinc/06/97/96/594069796.db2.gz	DWNBJTHCVROKSH-JTQLQIEISA-N	-2	1	347.379	1.533	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(C3(C#N)CC3)cc2)nc1-c1nn[n-]n1	ZINC000826382601	594452521	/nfs/dbraw/zinc/45/25/21/594452521.db2.gz	MHBKWBHZRLUXMG-UHFFFAOYSA-N	-2	1	345.326	1.269	20	30		EDEDML
C=C(Cl)CNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736094640	578953429	/nfs/dbraw/zinc/95/34/29/578953429.db2.gz	QDPDXHUCDDEWPS-UHFFFAOYSA-N	-2	1	335.747	1.275	20	30		EDEDML
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000819811548	593770759	/nfs/dbraw/zinc/77/07/59/593770759.db2.gz	QPVKRMGGNBATJQ-SFHVURJKSA-N	-2	1	344.367	1.818	20	30		EDEDML
CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(=O)[O-])[nH]2)o1	ZINC000820203329	593798812	/nfs/dbraw/zinc/79/88/12/593798812.db2.gz	SHRBIMVEEHVAQA-UHFFFAOYSA-N	-2	1	330.308	1.450	20	30		EDEDML
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(=O)[O-])cc1	ZINC000825804533	594250828	/nfs/dbraw/zinc/25/08/28/594250828.db2.gz	LLOWNMZGFDNZOI-UHFFFAOYSA-N	-2	1	343.364	1.848	20	30		EDEDML
Cc1cc(C)cc(CCC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000826264674	594403409	/nfs/dbraw/zinc/40/34/09/594403409.db2.gz	WGDIXKRLVIMKBY-UHFFFAOYSA-N	-2	1	336.359	1.650	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1F	ZINC000436800008	270013158	/nfs/dbraw/zinc/01/31/58/270013158.db2.gz	RZYLLTFJZQUKKR-UHFFFAOYSA-N	-2	1	336.300	1.902	20	30		EDEDML
N#CCC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000578631930	448598169	/nfs/dbraw/zinc/59/81/69/448598169.db2.gz	FSNAYXVDXMWHDN-UHFFFAOYSA-N	-2	1	339.329	1.729	20	30		EDEDML
Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000597909059	449140303	/nfs/dbraw/zinc/14/03/03/449140303.db2.gz	FPEUOJWTXFXPQT-JTQLQIEISA-N	-2	1	327.344	1.510	20	30		EDEDML
C=CCN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C(C)C	ZINC000736108557	578952356	/nfs/dbraw/zinc/95/23/56/578952356.db2.gz	ZLKYQJYZBFBYKS-UHFFFAOYSA-N	-2	1	343.383	1.829	20	30		EDEDML
C[C@H]1C(=NNc2nc(=O)c3cnn(C)c3[n-]2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814848621	593604963	/nfs/dbraw/zinc/60/49/63/593604963.db2.gz	YCFXEQIWXZXLLZ-WCBMZHEXSA-N	-2	1	346.391	1.994	20	30		EDEDML
C=C[C@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1	ZINC000823883540	593878994	/nfs/dbraw/zinc/87/89/94/593878994.db2.gz	SXMXYCYMUBCUTC-SNVBAGLBSA-N	-2	1	334.343	1.760	20	30		EDEDML
CC(C)(C)SCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000824123332	593934563	/nfs/dbraw/zinc/93/45/63/593934563.db2.gz	FPQBILIMIICBNS-UHFFFAOYSA-N	-2	1	334.409	1.712	20	30		EDEDML
C=C(C)CN(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000833368964	594835529	/nfs/dbraw/zinc/83/55/29/594835529.db2.gz	YFJWPDZLCQYNCT-UHFFFAOYSA-N	-2	1	329.356	1.441	20	30		EDEDML
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000834104410	595015882	/nfs/dbraw/zinc/01/58/82/595015882.db2.gz	KDWIJQIWZWVBBQ-KWQFWETISA-N	-2	1	345.363	1.142	20	30		EDEDML
Cc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1Cl	ZINC000737316453	579071089	/nfs/dbraw/zinc/07/10/89/579071089.db2.gz	WHDSVKRONQRKGS-UHFFFAOYSA-N	-2	1	328.723	1.676	20	30		EDEDML
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)[O-]	ZINC000776589801	580422816	/nfs/dbraw/zinc/42/28/16/580422816.db2.gz	XHKVKKDASWIZDU-VIFPVBQESA-N	-2	1	331.346	1.154	20	30		EDEDML
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCCCC#N)c1OC	ZINC000275020222	443618080	/nfs/dbraw/zinc/61/80/80/443618080.db2.gz	OPHZNHPERSKDCQ-UHFFFAOYSA-N	-2	1	342.373	1.838	20	30		EDEDML
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000281227496	443853782	/nfs/dbraw/zinc/85/37/82/443853782.db2.gz	DXWTXKNWHCOAKF-GXFFZTMASA-N	-2	1	344.371	1.455	20	30		EDEDML
Cc1cc(C(=O)NCC2(C#N)CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000593779174	449192803	/nfs/dbraw/zinc/19/28/03/449192803.db2.gz	GEUXNCSFJHHWMB-UHFFFAOYSA-N	-2	1	327.344	1.558	20	30		EDEDML
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000812781847	593509076	/nfs/dbraw/zinc/50/90/76/593509076.db2.gz	GAGJQWBHPWTOFZ-MRXNPFEDSA-N	-2	1	338.363	1.831	20	30		EDEDML
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)[C@H]1CCCO1	ZINC000871944165	596754032	/nfs/dbraw/zinc/75/40/32/596754032.db2.gz	ZUSCEAGLQGUUOL-GHMZBOCLSA-N	-2	1	345.323	1.122	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])o1	ZINC000297114300	268205805	/nfs/dbraw/zinc/20/58/05/268205805.db2.gz	GBZIOGNZTFXICC-PWSUYJOCSA-N	-2	1	326.374	1.853	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)o1	ZINC000588316110	448894163	/nfs/dbraw/zinc/89/41/63/448894163.db2.gz	VABOUDREBFMTJC-VIFPVBQESA-N	-2	1	326.355	1.707	20	30		EDEDML
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(C(=O)[O-])ccc1C	ZINC000788428860	580721173	/nfs/dbraw/zinc/72/11/73/580721173.db2.gz	CNAVTMZMXFVSDO-UHFFFAOYSA-N	-2	1	326.316	1.275	20	30		EDEDML
CSc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)ccc1F	ZINC000826230210	594388675	/nfs/dbraw/zinc/38/86/75/594388675.db2.gz	JOJQSFBXLAFEFX-UHFFFAOYSA-N	-2	1	344.335	1.575	20	30		EDEDML
Cc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(Cl)c1C	ZINC000826282172	594410648	/nfs/dbraw/zinc/41/06/48/594410648.db2.gz	BKKDDWGLPBGPIO-UHFFFAOYSA-N	-2	1	342.750	1.984	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000560492779	448222146	/nfs/dbraw/zinc/22/21/46/448222146.db2.gz	CSTIBADWKDTKOL-SECBINFHSA-N	-2	1	348.764	1.946	20	30		EDEDML
Cc1ccccc1[C@@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000737422967	579089145	/nfs/dbraw/zinc/08/91/45/579089145.db2.gz	PVUKAGUVHRKKSO-JTQLQIEISA-N	-2	1	336.359	1.902	20	30		EDEDML
O=[N+]([O-])c1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1[O-]	ZINC000748132427	579671334	/nfs/dbraw/zinc/67/13/34/579671334.db2.gz	ATDNRARWXZLNCR-UHFFFAOYSA-N	-2	1	346.324	1.373	20	30		EDEDML
O=C([O-])[C@H]1CCC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2ccccc21	ZINC000789018413	580734880	/nfs/dbraw/zinc/73/48/80/580734880.db2.gz	USVZWHDQIFBAHF-JTQLQIEISA-N	-2	1	338.327	1.210	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1F	ZINC000793974359	580862763	/nfs/dbraw/zinc/86/27/63/580862763.db2.gz	UJMJNMLCEJZQCF-UHFFFAOYSA-N	-2	1	336.300	1.902	20	30		EDEDML
CCC[C@H](C#N)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736952403	593045334	/nfs/dbraw/zinc/04/53/34/593045334.db2.gz	PPTWNTOTOMBJCG-GFCCVEGCSA-N	-2	1	342.355	1.215	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000837293612	595078112	/nfs/dbraw/zinc/07/81/12/595078112.db2.gz	YIEDDQCHXIZBMV-MRVPVSSYSA-N	-2	1	332.309	1.432	20	30		EDEDML
Cc1cc(C)cc(C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])c1	ZINC000287257181	288193326	/nfs/dbraw/zinc/19/33/26/288193326.db2.gz	PWKOUIVTZWSBFR-AWEZNQCLSA-N	-2	1	348.380	1.742	20	30		EDEDML
N#Cc1[n-]c(NC(=O)CC/C=C\c2ccccc2)nc1-c1nn[n-]n1	ZINC000737705959	578538408	/nfs/dbraw/zinc/53/84/08/578538408.db2.gz	RUUBJYRUEVIMQW-YWEYNIOJSA-N	-2	1	334.343	1.894	20	30		EDEDML
Cc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(Cl)n1	ZINC000826282625	594410915	/nfs/dbraw/zinc/41/09/15/594410915.db2.gz	XYAWSWFBWVCNBK-UHFFFAOYSA-N	-2	1	329.711	1.071	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2ccc(OCCC(=O)[O-])cc2)c(=O)o1	ZINC000915981845	696607420	/nfs/dbraw/zinc/60/74/20/696607420.db2.gz	ZUUAOFMRWOGEOX-IMXKFXGHSA-N	-2	1	344.319	1.768	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)o1	ZINC000575944936	447935038	/nfs/dbraw/zinc/93/50/38/447935038.db2.gz	LCVJOARIJDATHM-SNVBAGLBSA-N	-2	1	326.355	1.707	20	30		EDEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000650412432	452744728	/nfs/dbraw/zinc/74/47/28/452744728.db2.gz	DTZWAFQRTPVKFQ-SECBINFHSA-N	-2	1	336.291	1.245	20	30		EDEDML
CC(C)[C@H]1C[C@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000824213384	593958061	/nfs/dbraw/zinc/95/80/61/593958061.db2.gz	AKTRFIHKJGTUQX-MWLCHTKSSA-N	-2	1	344.379	1.241	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(-c3ccccc3)[nH]2)nc1-c1nn[nH]n1	ZINC000737706037	578538944	/nfs/dbraw/zinc/53/89/44/578538944.db2.gz	UJHZVAASXMGNMO-UHFFFAOYSA-N	-2	1	345.326	1.709	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(-c3ccccc3)[nH]2)nc1-c1nn[n-]n1	ZINC000737706037	578538945	/nfs/dbraw/zinc/53/89/45/578538945.db2.gz	UJHZVAASXMGNMO-UHFFFAOYSA-N	-2	1	345.326	1.709	20	30		EDEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000822225289	594014530	/nfs/dbraw/zinc/01/45/30/594014530.db2.gz	WUGVBWWAUXIREP-UHFFFAOYSA-N	-2	1	347.385	1.304	20	30		EDEDML
Cc1ccsc1CCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826316112	594420994	/nfs/dbraw/zinc/42/09/94/594420994.db2.gz	DBNIBONRLCIIFR-UHFFFAOYSA-N	-2	1	342.388	1.793	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](Cc2ccccc2)C(=O)[O-])o1	ZINC000548769193	306137350	/nfs/dbraw/zinc/13/73/50/306137350.db2.gz	FOOMHQCOBDLWCE-CYBMUJFWSA-N	-2	1	348.380	1.763	20	30		EDEDML
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)o2)sc1C(=O)[O-]	ZINC000554432612	306191370	/nfs/dbraw/zinc/19/13/70/306191370.db2.gz	KPAQXWOFYUTXMY-UHFFFAOYSA-N	-2	1	327.343	1.093	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000570050798	447937897	/nfs/dbraw/zinc/93/78/97/447937897.db2.gz	MORNHPGDDLIXSS-ZETCQYMHSA-N	-2	1	341.311	1.137	20	30		EDEDML
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000751213467	579797574	/nfs/dbraw/zinc/79/75/74/579797574.db2.gz	WCVGTXFUOAZPAQ-UHFFFAOYSA-N	-2	1	347.348	1.903	20	30		EDEDML
C[C@H]1C(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC[C@@H]1CC(=O)[O-]	ZINC000814799022	593603438	/nfs/dbraw/zinc/60/34/38/593603438.db2.gz	RWVRZTGIHFSMKH-NXEZZACHSA-N	-2	1	335.385	1.602	20	30		EDEDML
C=CCN(CC(=O)[O-])C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O	ZINC000365363617	446170764	/nfs/dbraw/zinc/17/07/64/446170764.db2.gz	BGRRFUPUEDBFBK-UHFFFAOYSA-N	-2	1	342.355	1.194	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cccc(C(F)F)c2)nc1-c1nn[n-]n1	ZINC000737703863	578528183	/nfs/dbraw/zinc/52/81/83/578528183.db2.gz	BZBDYIIAODTFAM-UHFFFAOYSA-N	-2	1	330.258	1.651	20	30		EDEDML
N#Cc1[n-]c(NC(=O)Cc2cccc(Cl)c2)nc1-c1nn[n-]n1	ZINC000737705142	579125698	/nfs/dbraw/zinc/12/56/98/579125698.db2.gz	KYJDXGJIQMZMLT-UHFFFAOYSA-N	-2	1	328.723	1.296	20	30		EDEDML
C[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000814798354	593603207	/nfs/dbraw/zinc/60/32/07/593603207.db2.gz	CNNTWFKCRHLOPY-GXSJLCMTSA-N	-2	1	335.385	1.602	20	30		EDEDML
C=CCCOCCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000823898796	593882139	/nfs/dbraw/zinc/88/21/39/593882139.db2.gz	BOWZDEOVOSVQLL-UHFFFAOYSA-N	-2	1	330.352	1.163	20	30		EDEDML
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000864453044	596242288	/nfs/dbraw/zinc/24/22/88/596242288.db2.gz	WBCAPJNXGLUIPX-SSDOTTSWSA-N	-2	1	338.179	1.740	20	30		EDEDML
N#C[C@@H](C(=O)CNC(=O)[O-])c1nc(=O)c2c3c(sc2[n-]1)CCCC3	ZINC000739073685	600129859	/nfs/dbraw/zinc/12/98/59/600129859.db2.gz	FNMNPWYQHMZPLH-QMMMGPOBSA-N	-2	1	346.368	1.720	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)o1	ZINC000262334956	303199119	/nfs/dbraw/zinc/19/91/19/303199119.db2.gz	WSAXXXQYFBENBK-CYBMUJFWSA-N	-2	1	348.380	1.906	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1	ZINC000579681553	448848424	/nfs/dbraw/zinc/84/84/24/448848424.db2.gz	VUFRMUAZEYKDNA-SECBINFHSA-N	-2	1	331.346	1.154	20	30		EDEDML
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000822801840	594102648	/nfs/dbraw/zinc/10/26/48/594102648.db2.gz	PLQCHPWFUMRCPR-JTQLQIEISA-N	-2	1	344.400	1.700	20	30		EDEDML
CCn1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c2ccccc21	ZINC000736717808	579014770	/nfs/dbraw/zinc/01/47/70/579014770.db2.gz	DXOJEDNKZGQQRA-UHFFFAOYSA-N	-2	1	347.342	1.688	20	30		EDEDML
Cc1cc(C(=O)NCC#Cc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000353820518	250083520	/nfs/dbraw/zinc/08/35/20/250083520.db2.gz	LATNJNLOOUSBKY-UHFFFAOYSA-N	-2	1	334.335	1.526	20	30		EDEDML
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593945620	449302033	/nfs/dbraw/zinc/30/20/33/449302033.db2.gz	UNUOPAKYLZRSRX-INTQDDNPSA-N	-2	1	326.374	1.565	20	30		EDEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000646044599	453047116	/nfs/dbraw/zinc/04/71/16/453047116.db2.gz	AMFCTDMEMDPLTB-SECBINFHSA-N	-2	1	338.307	1.798	20	30		EDEDML
Cc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc(C)c1F	ZINC000826261146	594402072	/nfs/dbraw/zinc/40/20/72/594402072.db2.gz	SMSZGUUOZGPAOH-UHFFFAOYSA-N	-2	1	326.295	1.470	20	30		EDEDML
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826316137	594421248	/nfs/dbraw/zinc/42/12/48/594421248.db2.gz	DSKRPMVKQQIBOB-YUMQZZPRSA-N	-2	1	340.372	1.574	20	30		EDEDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2sccc2C#N)s1	ZINC000052050247	441432314	/nfs/dbraw/zinc/43/23/14/441432314.db2.gz	AQDRHMMYUKJMRY-UHFFFAOYSA-N	-2	1	329.388	1.095	20	30		EDEDML
C=CCC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000646044600	453047663	/nfs/dbraw/zinc/04/76/63/453047663.db2.gz	AMFCTDMEMDPLTB-VIFPVBQESA-N	-2	1	338.307	1.798	20	30		EDEDML
CCN(CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(=O)[O-]	ZINC000739397802	579200582	/nfs/dbraw/zinc/20/05/82/579200582.db2.gz	CPJPWODBCLZRMA-VIFPVBQESA-N	-2	1	325.346	1.171	20	30		EDEDML
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(=O)[O-])o1	ZINC000773033087	580325437	/nfs/dbraw/zinc/32/54/37/580325437.db2.gz	CNYWVRBPKUPTMB-UHFFFAOYSA-N	-2	1	333.325	1.441	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])o1	ZINC000806636446	593461331	/nfs/dbraw/zinc/46/13/31/593461331.db2.gz	OFQKMWWHTMODBV-LLVKDONJSA-N	-2	1	326.374	1.711	20	30		EDEDML
Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000176577087	207239474	/nfs/dbraw/zinc/23/94/74/207239474.db2.gz	BWESSBGSGZRBLA-GFCCVEGCSA-N	-2	1	341.371	1.534	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1	ZINC000354977508	150062496	/nfs/dbraw/zinc/06/24/96/150062496.db2.gz	PDOGYYFHFSXCOC-UHFFFAOYSA-N	-2	1	346.320	1.786	20	30		EDEDML
Cc1nc(-c2nn[n-]n2)c([N-]N=C2C(=O)Nc3c2c(C)ccc3F)o1	ZINC000737468012	579094940	/nfs/dbraw/zinc/09/49/40/579094940.db2.gz	VVWIJTDMZDSELC-UHFFFAOYSA-N	-2	1	342.294	1.379	20	30		EDEDML
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C(=O)[O-])cs1	ZINC000814798268	593603013	/nfs/dbraw/zinc/60/30/13/593603013.db2.gz	ASDPGESFPJKJMQ-UHFFFAOYSA-N	-2	1	349.393	1.909	20	30		EDEDML
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)o1	ZINC000823962648	593895351	/nfs/dbraw/zinc/89/53/51/593895351.db2.gz	OFROMWQNXQCARF-UHFFFAOYSA-N	-2	1	345.294	1.837	20	30		EDEDML
C=CCNS(=O)(=O)c1ccc(CC(=O)[N-]O[C@H](C)C=C)s1	ZINC000824233353	593962459	/nfs/dbraw/zinc/96/24/59/593962459.db2.gz	SUYPPLGUYLPXRW-SNVBAGLBSA-N	-2	1	330.431	1.377	20	30		EDEDML
Cc1cc(Cl)cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1	ZINC000822202060	594009317	/nfs/dbraw/zinc/00/93/17/594009317.db2.gz	JIQQWDIQKXLTPS-UHFFFAOYSA-N	-2	1	328.723	1.676	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccnn2C2CCCC2)nc1-c1nn[n-]n1	ZINC000822814265	594105312	/nfs/dbraw/zinc/10/53/12/594105312.db2.gz	DSAVDHUUCVYNAD-UHFFFAOYSA-N	-2	1	338.335	1.025	20	30		EDEDML
N#Cc1[n-]c(NC(=O)CNc2ccccc2Cl)nc1-c1nn[n-]n1	ZINC000822815392	594105509	/nfs/dbraw/zinc/10/55/09/594105509.db2.gz	QOSCNTRDYIPHLY-UHFFFAOYSA-N	-2	1	343.738	1.165	20	30		EDEDML
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCCC#N	ZINC000268021980	442820386	/nfs/dbraw/zinc/82/03/86/442820386.db2.gz	VZHWJSIKGLMICY-UHFFFAOYSA-N	-2	1	326.374	1.758	20	30		EDEDML
N#CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000436531717	446733603	/nfs/dbraw/zinc/73/36/03/446733603.db2.gz	WIFFAOKOAHHWNX-UHFFFAOYSA-N	-2	1	332.337	1.957	20	30		EDEDML
C[C@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(Cl)c1	ZINC000819877335	593773159	/nfs/dbraw/zinc/77/31/59/593773159.db2.gz	UCSLEVIHRLYSRA-ZETCQYMHSA-N	-2	1	342.750	1.857	20	30		EDEDML
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188248730	442729056	/nfs/dbraw/zinc/72/90/56/442729056.db2.gz	ZJQOJBBWAHOCIX-UHFFFAOYSA-N	-2	1	340.364	1.834	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)o1	ZINC000588316042	448894389	/nfs/dbraw/zinc/89/43/89/448894389.db2.gz	AHDOIAYIYGYGNG-GFCCVEGCSA-N	-2	1	342.279	1.534	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@@H]2CCc3ccccc3C2)nc1-c1nn[n-]n1	ZINC000737705256	578535816	/nfs/dbraw/zinc/53/58/16/578535816.db2.gz	MNFZBLHEZZDZKN-SNVBAGLBSA-N	-2	1	348.370	1.595	20	30		EDEDML
C[C@@H]1C(=NNc2nc(=O)c3cnn(C)c3[n-]2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814848619	593604969	/nfs/dbraw/zinc/60/49/69/593604969.db2.gz	YCFXEQIWXZXLLZ-SCZZXKLOSA-N	-2	1	346.391	1.994	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)nc1-c1nn[n-]n1	ZINC000822815492	594105865	/nfs/dbraw/zinc/10/58/65/594105865.db2.gz	RPQGOHZZZMLYTR-GTNSWQLSSA-N	-2	1	346.354	1.304	20	30		EDEDML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)ccc1F	ZINC000390865873	447505226	/nfs/dbraw/zinc/50/52/26/447505226.db2.gz	DJAFAJGBHJLKJE-UHFFFAOYSA-N	-2	1	336.300	1.902	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)o1	ZINC000588316108	448894068	/nfs/dbraw/zinc/89/40/68/448894068.db2.gz	VABOUDREBFMTJC-SECBINFHSA-N	-2	1	326.355	1.707	20	30		EDEDML
C[C@H](Cc1ccccc1F)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736057002	578950021	/nfs/dbraw/zinc/95/00/21/578950021.db2.gz	FMVIGPVHFQYFCR-MRVPVSSYSA-N	-2	1	340.322	1.418	20	30		EDEDML
CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736348080	593001406	/nfs/dbraw/zinc/00/14/06/593001406.db2.gz	SDRRYQSRMBAAEB-CQSZACIVSA-N	-2	1	342.355	1.071	20	30		EDEDML
C[C@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccc(Cl)s1	ZINC000819876866	593772904	/nfs/dbraw/zinc/77/29/04/593772904.db2.gz	JNHWBXGFVONYQL-YFKPBYRVSA-N	-2	1	348.779	1.919	20	30		EDEDML
COc1c(C)cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1C	ZINC000826166859	594358931	/nfs/dbraw/zinc/35/89/31/594358931.db2.gz	FEXDXLIGMBYJMP-UHFFFAOYSA-N	-2	1	338.331	1.339	20	30		EDEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1C#N	ZINC000365531767	446243161	/nfs/dbraw/zinc/24/31/61/446243161.db2.gz	ZUVZRYMVHHSHRU-UHFFFAOYSA-N	-2	1	340.368	1.848	20	30		EDEDML
COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000545999497	448814337	/nfs/dbraw/zinc/81/43/37/448814337.db2.gz	QYWSFORXTPQYSR-UHFFFAOYSA-N	-3	1	348.336	1.771	20	30		EDEDML
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000545999497	448814341	/nfs/dbraw/zinc/81/43/41/448814341.db2.gz	QYWSFORXTPQYSR-UHFFFAOYSA-N	-2	1	348.336	1.771	20	30		EDEDML
CC(C)[C@H]1C[C@@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000824213376	593958108	/nfs/dbraw/zinc/95/81/08/593958108.db2.gz	AKTRFIHKJGTUQX-GXSJLCMTSA-N	-2	1	344.379	1.241	20	30		EDEDML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(-n3cccn3)nn1)O2	ZINC000915971641	696606538	/nfs/dbraw/zinc/60/65/38/696606538.db2.gz	GIUFVKCTLVBPNG-UHFFFAOYSA-N	-2	1	336.311	1.677	20	30		EDEDML
N#Cc1[n-]c(NC(=O)Cc2ccc(F)cc2Cl)nc1-c1nn[n-]n1	ZINC000822814982	594105341	/nfs/dbraw/zinc/10/53/41/594105341.db2.gz	MJFPNTIEQNIYTG-UHFFFAOYSA-N	-2	1	346.713	1.435	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772881	594243540	/nfs/dbraw/zinc/24/35/40/594243540.db2.gz	SDNHAXLSRCIRJY-YVACAVLKSA-N	-2	1	341.319	1.955	20	30		EDEDML
Cc1cccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c1Cl	ZINC000826296232	594413556	/nfs/dbraw/zinc/41/35/56/594413556.db2.gz	OEYRNKMNJYXEEC-UHFFFAOYSA-N	-2	1	328.723	1.676	20	30		EDEDML
O=C([O-])N1CCCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000834096901	595013703	/nfs/dbraw/zinc/01/37/03/595013703.db2.gz	HDPRDQRXZHRSJC-UHFFFAOYSA-N	-2	1	336.373	1.245	20	30		EDEDML
Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000277813159	444046072	/nfs/dbraw/zinc/04/60/72/444046072.db2.gz	HCLKYCNOEUNGSS-LLVKDONJSA-N	-2	1	341.371	1.899	20	30		EDEDML
Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000338378134	444663027	/nfs/dbraw/zinc/66/30/27/444663027.db2.gz	HMZXAOJFGYBJJY-QMMMGPOBSA-N	-2	1	327.344	1.509	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@H]2CCc3ccccc3C2)nc1-c1nn[n-]n1	ZINC000737705255	578535803	/nfs/dbraw/zinc/53/58/03/578535803.db2.gz	MNFZBLHEZZDZKN-JTQLQIEISA-N	-2	1	348.370	1.595	20	30		EDEDML
O=c1nc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc2[nH][n-]cc1-2	ZINC000731157096	578669415	/nfs/dbraw/zinc/66/94/15/578669415.db2.gz	GLBFWSCLVGCCSV-UHFFFAOYSA-N	-2	1	349.694	1.145	20	30		EDEDML
C[C@@H](CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1F	ZINC000735974320	578944495	/nfs/dbraw/zinc/94/44/95/578944495.db2.gz	BWUXXIFBMRVWQT-QMMMGPOBSA-N	-2	1	340.322	1.733	20	30		EDEDML
C[C@H]1C(N=Nc2nc3[nH][n-]cc-3c(=O)n2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814843202	593604694	/nfs/dbraw/zinc/60/46/94/593604694.db2.gz	OGHOVPCVZLMEDU-IONNQARKSA-N	-2	1	332.364	1.357	20	30		EDEDML
COc1cc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)ccc1Cl	ZINC000826177748	594363404	/nfs/dbraw/zinc/36/34/04/594363404.db2.gz	SZJQZKAKCVBASM-UHFFFAOYSA-N	-2	1	344.722	1.376	20	30		EDEDML
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)[C@@H]1CCCO1	ZINC000871944166	596753691	/nfs/dbraw/zinc/75/36/91/596753691.db2.gz	ZUSCEAGLQGUUOL-MNOVXSKESA-N	-2	1	345.323	1.122	20	30		EDEDML
Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287559808	267500464	/nfs/dbraw/zinc/50/04/64/267500464.db2.gz	ONBBBFJHMXLBCQ-CYBMUJFWSA-N	-2	1	348.380	1.682	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])o1	ZINC000516501500	268258966	/nfs/dbraw/zinc/25/89/66/268258966.db2.gz	UDVLAMBEZVEAIS-GFCCVEGCSA-N	-2	1	338.316	1.265	20	30		EDEDML
CC#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274989076	443617090	/nfs/dbraw/zinc/61/70/90/443617090.db2.gz	KNYSCUTTYPAMFU-VIFPVBQESA-N	-2	1	346.748	1.393	20	30		EDEDML
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2	ZINC000580941324	448961434	/nfs/dbraw/zinc/96/14/34/448961434.db2.gz	AEKZQVLDAISCMK-QMMMGPOBSA-N	-2	1	326.330	1.200	20	30		EDEDML
C=CCCSCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000597968659	449168711	/nfs/dbraw/zinc/16/87/11/449168711.db2.gz	YJTWCPGYYMQXNL-UHFFFAOYSA-N	-2	1	334.401	1.784	20	30		EDEDML
Cc1cc(C(=O)NCC2(C#N)CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000598303767	449344777	/nfs/dbraw/zinc/34/47/77/449344777.db2.gz	DGGPXRXZRDCVPD-UHFFFAOYSA-N	-2	1	341.371	1.948	20	30		EDEDML
C=CCCCN(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736097479	578953638	/nfs/dbraw/zinc/95/36/38/578953638.db2.gz	MQTVEXGPLMZKJS-UHFFFAOYSA-N	-2	1	343.383	1.831	20	30		EDEDML
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)nc1	ZINC000736448942	578990344	/nfs/dbraw/zinc/99/03/44/578990344.db2.gz	RAZVKSQZVCZIOE-LBPRGKRZSA-N	-2	1	341.375	1.281	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2ccccc2)o1	ZINC000806635024	593461259	/nfs/dbraw/zinc/46/12/59/593461259.db2.gz	MXILIZRYFHRWHX-LBPRGKRZSA-N	-2	1	334.353	1.516	20	30		EDEDML
C[C@@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(Cl)c1	ZINC000819877334	593773098	/nfs/dbraw/zinc/77/30/98/593773098.db2.gz	UCSLEVIHRLYSRA-SSDOTTSWSA-N	-2	1	342.750	1.857	20	30		EDEDML
C=CCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851701870	595890351	/nfs/dbraw/zinc/89/03/51/595890351.db2.gz	ZVYBLDKUEQQUMU-KOLCDFICSA-N	-2	1	336.310	1.465	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])o1	ZINC000297115991	268205098	/nfs/dbraw/zinc/20/50/98/268205098.db2.gz	GBZIOGNZTFXICC-ZYHUDNBSSA-N	-2	1	326.374	1.853	20	30		EDEDML
Cc1cc(C(=O)N(CCC#N)CCC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172772082	442540348	/nfs/dbraw/zinc/54/03/48/442540348.db2.gz	ZBXSHMKRVMHDMB-UHFFFAOYSA-N	-2	1	343.387	1.734	20	30		EDEDML
Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cc1	ZINC000287432212	443743569	/nfs/dbraw/zinc/74/35/69/443743569.db2.gz	GVZAOCBDEHGANL-ZDUSSCGKSA-N	-2	1	348.380	1.682	20	30		EDEDML
Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000277813164	444046449	/nfs/dbraw/zinc/04/64/49/444046449.db2.gz	HCLKYCNOEUNGSS-NSHDSACASA-N	-2	1	341.371	1.899	20	30		EDEDML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(-n3ccnc3)nn1)O2	ZINC000761837334	580062407	/nfs/dbraw/zinc/06/24/07/580062407.db2.gz	DKRBGBYCZRAGJG-UHFFFAOYSA-N	-2	1	336.311	1.677	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)nc1-c1nn[n-]n1	ZINC000822815490	594105931	/nfs/dbraw/zinc/10/59/31/594105931.db2.gz	RPQGOHZZZMLYTR-DIFFPNOSSA-N	-2	1	346.354	1.304	20	30		EDEDML
Cc1ccc(C(F)(F)C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000826284396	594410575	/nfs/dbraw/zinc/41/05/75/594410575.db2.gz	SCWAHAGILJMPJV-UHFFFAOYSA-N	-2	1	344.285	1.500	20	30		EDEDML
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000831086283	594552402	/nfs/dbraw/zinc/55/24/02/594552402.db2.gz	CYKBVSIGZFKWKU-LBPRGKRZSA-N	-2	1	325.324	1.873	20	30		EDEDML
CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000439251909	267354831	/nfs/dbraw/zinc/35/48/31/267354831.db2.gz	YDJAKVKNDITOTI-UHFFFAOYSA-N	-2	1	347.352	1.805	20	30		EDEDML
CC#CC[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000650412433	452743841	/nfs/dbraw/zinc/74/38/41/452743841.db2.gz	DTZWAFQRTPVKFQ-VIFPVBQESA-N	-2	1	336.291	1.245	20	30		EDEDML
CC(=O)CCCCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000823967873	593896479	/nfs/dbraw/zinc/89/64/79/593896479.db2.gz	RLQNXUCQOIDVLF-UHFFFAOYSA-N	-2	1	330.352	1.330	20	30		EDEDML
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826316136	594421051	/nfs/dbraw/zinc/42/10/51/594421051.db2.gz	DSKRPMVKQQIBOB-SFYZADRCSA-N	-2	1	340.372	1.574	20	30		EDEDML
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(NC(=O)[O-])cn1	ZINC000833940497	594969044	/nfs/dbraw/zinc/96/90/44/594969044.db2.gz	OOZYIKLQEGTLQJ-SECBINFHSA-N	-2	1	336.311	1.943	20	30		EDEDML
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)[C@@H]1CCCO1	ZINC000871944167	596753677	/nfs/dbraw/zinc/75/36/77/596753677.db2.gz	ZUSCEAGLQGUUOL-QWRGUYRKSA-N	-2	1	345.323	1.122	20	30		EDEDML
C#CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C1CCCC1	ZINC000176259380	442201019	/nfs/dbraw/zinc/20/10/19/442201019.db2.gz	SSUGZFBNHQFDHQ-UHFFFAOYSA-N	-2	1	326.356	1.350	20	30		EDEDML
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)CC2(C#N)CC2)c1F	ZINC000287710114	443755302	/nfs/dbraw/zinc/75/53/02/443755302.db2.gz	YBFHUWLEUHGQLE-UHFFFAOYSA-N	-2	1	328.321	1.578	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)o1	ZINC000554530794	320952646	/nfs/dbraw/zinc/95/26/46/320952646.db2.gz	JMZRLKWAZVGZJC-GFCCVEGCSA-N	-2	1	342.279	1.534	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1	ZINC000579681554	448848325	/nfs/dbraw/zinc/84/83/25/448848325.db2.gz	VUFRMUAZEYKDNA-VIFPVBQESA-N	-2	1	331.346	1.154	20	30		EDEDML
N#Cc1ccc(NCCNC(=O)c2ccc(NC(=O)[O-])cc2[O-])nc1	ZINC000740319392	579331014	/nfs/dbraw/zinc/33/10/14/579331014.db2.gz	RIVRQBQIXFQRIH-UHFFFAOYSA-N	-2	1	341.327	1.591	20	30		EDEDML
O=c1nc(NN=Cc2cc(Cl)cc(Cl)c2[O-])nc2[nH][n-]cc1-2	ZINC000731155104	578669290	/nfs/dbraw/zinc/66/92/90/578669290.db2.gz	SOILNLZGTRASMS-UHFFFAOYSA-N	-2	1	339.142	1.890	20	30		EDEDML
CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814842665	593604499	/nfs/dbraw/zinc/60/44/99/593604499.db2.gz	DPXHZRGPYYYTBO-SCZZXKLOSA-N	-2	1	332.364	1.357	20	30		EDEDML
CC(C)C[C@H](C)OCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820055714	593786813	/nfs/dbraw/zinc/78/68/13/593786813.db2.gz	JWPIBDVYQXQBFV-VIFPVBQESA-N	-2	1	332.368	1.241	20	30		EDEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC000853065877	595652955	/nfs/dbraw/zinc/65/29/55/595652955.db2.gz	FNOGXFXUTSXWSR-SECBINFHSA-N	-2	1	331.346	1.072	20	30		EDEDML
C=CCCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851701872	595890778	/nfs/dbraw/zinc/89/07/78/595890778.db2.gz	ZVYBLDKUEQQUMU-ONGXEEELSA-N	-2	1	336.310	1.465	20	30		EDEDML
O=C([O-])c1ccc(O)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1	ZINC000740155851	579294823	/nfs/dbraw/zinc/29/48/23/579294823.db2.gz	XTMLOFPBINAVSN-UHFFFAOYSA-N	-2	1	345.336	1.163	20	30		EDEDML
CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(CC(=O)[O-])cc1	ZINC000769818210	580246073	/nfs/dbraw/zinc/24/60/73/580246073.db2.gz	HGSRDTYSUCNUDE-UHFFFAOYSA-N	-2	1	340.343	1.532	20	30		EDEDML
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000834104412	595015874	/nfs/dbraw/zinc/01/58/74/595015874.db2.gz	KDWIJQIWZWVBBQ-LDYMZIIASA-N	-2	1	345.363	1.142	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ncccc1C(F)(F)F	ZINC000650421471	452751954	/nfs/dbraw/zinc/75/19/54/452751954.db2.gz	IQJSTBVJUHRVBM-MRVPVSSYSA-N	-2	1	338.307	1.798	20	30		EDEDML
CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])C1(C)C	ZINC000554430447	306191223	/nfs/dbraw/zinc/19/12/23/306191223.db2.gz	MELYSVZLOZWCLR-QMTHXVAHSA-N	-2	1	342.373	1.088	20	30		EDEDML
Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c2=O	ZINC000162714002	442117389	/nfs/dbraw/zinc/11/73/89/442117389.db2.gz	MWVHPEWMETXIFI-UHFFFAOYSA-N	-2	1	336.286	1.694	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)o1	ZINC000588316541	448894331	/nfs/dbraw/zinc/89/43/31/448894331.db2.gz	FLIKFBDTVJZRNE-UHFFFAOYSA-N	-2	1	334.353	1.299	20	30		EDEDML
Cc1cc(C)n(N=Cc2cc(F)c([O-])c(F)c2)c(=O)c1-c1nn[n-]n1	ZINC000822199033	594007453	/nfs/dbraw/zinc/00/74/53/594007453.db2.gz	SZKZWZISYJWMTC-UHFFFAOYSA-N	-2	1	346.297	1.511	20	30		EDEDML
C=CCN(CC(F)(F)F)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000155449139	442399084	/nfs/dbraw/zinc/39/90/84/442399084.db2.gz	IDLOJUAQIULWCI-UHFFFAOYSA-N	-2	1	342.277	1.523	20	30		EDEDML
C=CCOC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(=O)[O-]	ZINC000262932641	443217480	/nfs/dbraw/zinc/21/74/80/443217480.db2.gz	HDQHWZAVZYWHGU-JTQLQIEISA-N	-2	1	337.376	1.174	20	30		EDEDML
CC#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274937683	443615722	/nfs/dbraw/zinc/61/57/22/443615722.db2.gz	DMUDXQKVNWRMHI-SECBINFHSA-N	-2	1	346.748	1.393	20	30		EDEDML
Cc1cc(C(=O)N2CCC[C@H](CC#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000597909060	449140167	/nfs/dbraw/zinc/14/01/67/449140167.db2.gz	FPEUOJWTXFXPQT-SNVBAGLBSA-N	-2	1	327.344	1.510	20	30		EDEDML
CC[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000736351153	578981576	/nfs/dbraw/zinc/98/15/76/578981576.db2.gz	OONKREQLPXSLKC-LLVKDONJSA-N	-2	1	336.359	1.669	20	30		EDEDML
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000822801841	594102500	/nfs/dbraw/zinc/10/25/00/594102500.db2.gz	PLQCHPWFUMRCPR-SNVBAGLBSA-N	-2	1	344.400	1.700	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cccc(F)c2Cl)nc1-c1nn[n-]n1	ZINC000822815718	594105612	/nfs/dbraw/zinc/10/56/12/594105612.db2.gz	YPSLWJZBAHHDRQ-UHFFFAOYSA-N	-2	1	332.686	1.506	20	30		EDEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1F	ZINC000436996999	270013169	/nfs/dbraw/zinc/01/31/69/270013169.db2.gz	VDAYELVWBSKTJL-UHFFFAOYSA-N	-2	1	336.300	1.902	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cn1	ZINC000740321917	579331220	/nfs/dbraw/zinc/33/12/20/579331220.db2.gz	WDMMILUSACTQPK-UHFFFAOYSA-N	-2	1	336.304	1.983	20	30		EDEDML
O=c1nc(NN=Cc2cc(Cl)c([O-])cc2Cl)nc2[nH][n-]cc1-2	ZINC000758111283	579975504	/nfs/dbraw/zinc/97/55/04/579975504.db2.gz	VRTHZUFWUSMWDK-UHFFFAOYSA-N	-2	1	339.142	1.890	20	30		EDEDML
CNS(=O)(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1[O-]	ZINC000809795897	593359528	/nfs/dbraw/zinc/35/95/28/593359528.db2.gz	XEEJHJFANRRHRS-UHFFFAOYSA-N	-2	1	347.352	1.130	20	30		EDEDML
C[C@@H](OC1CCCCCC1)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820518640	593825586	/nfs/dbraw/zinc/82/55/86/593825586.db2.gz	ICNHVVOVDNCGJM-SECBINFHSA-N	-2	1	344.379	1.528	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)nc1-c1nn[n-]n1	ZINC000822814240	594105367	/nfs/dbraw/zinc/10/53/67/594105367.db2.gz	CWKGLHSXZBIKJY-GHMZBOCLSA-N	-2	1	334.343	1.279	20	30		EDEDML
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000281227495	443853038	/nfs/dbraw/zinc/85/30/38/443853038.db2.gz	DXWTXKNWHCOAKF-GWCFXTLKSA-N	-2	1	344.371	1.455	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccn(C3CCCC3)n2)nc1-c1nn[n-]n1	ZINC000822814877	594105400	/nfs/dbraw/zinc/10/54/00/594105400.db2.gz	KJPGYCFEZWQLMA-UHFFFAOYSA-N	-2	1	338.335	1.025	20	30		EDEDML
N#C[C@H](C(=O)CNC(=O)[O-])c1nc(=O)c2c3c(sc2[n-]1)CCCC3	ZINC000739073684	600129799	/nfs/dbraw/zinc/12/97/99/600129799.db2.gz	FNMNPWYQHMZPLH-MRVPVSSYSA-N	-2	1	346.368	1.720	20	30		EDEDML
Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cc1C	ZINC000517075124	448536523	/nfs/dbraw/zinc/53/65/23/448536523.db2.gz	CDVIDNUXDRJLMR-CQSZACIVSA-N	-2	1	348.380	1.742	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@H]2CCCc3ccccc32)nc1-c1nn[nH]n1	ZINC000737706043	578538928	/nfs/dbraw/zinc/53/89/28/578538928.db2.gz	URBCTGPGXBSODP-LLVKDONJSA-N	-2	1	348.370	1.910	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@H]2CCCc3ccccc32)nc1-c1nn[n-]n1	ZINC000737706043	578538929	/nfs/dbraw/zinc/53/89/29/578538929.db2.gz	URBCTGPGXBSODP-LLVKDONJSA-N	-2	1	348.370	1.910	20	30		EDEDML
Cc1cccc2c(CC(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)c[nH]c21	ZINC000737410670	579086785	/nfs/dbraw/zinc/08/67/85/579086785.db2.gz	XBWOOXYLAIKRNI-UHFFFAOYSA-N	-2	1	347.342	1.432	20	30		EDEDML
Cc1nc(-c2nn[n-]n2)c([N-]N=C2C(=O)Nc3c2cccc3F)o1	ZINC000822424657	594046851	/nfs/dbraw/zinc/04/68/51/594046851.db2.gz	YHGQZGBPOAIZBF-UHFFFAOYSA-N	-2	1	328.267	1.071	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772878	594243698	/nfs/dbraw/zinc/24/36/98/594243698.db2.gz	SDNHAXLSRCIRJY-IYKSTZQJSA-N	-2	1	341.319	1.955	20	30		EDEDML
Cc1ccc2cc(C(=O)Nc3nc(-c4nn[n-]n4)c(C#N)[n-]3)ccc2n1	ZINC000826294808	594413592	/nfs/dbraw/zinc/41/35/92/594413592.db2.gz	DMCQHMZXESCWLU-UHFFFAOYSA-N	-2	1	345.326	1.570	20	30		EDEDML
N#Cc1[n-]c(NC(=O)CCCc2ccsc2)nc1-c1nn[n-]n1	ZINC000826382560	594452818	/nfs/dbraw/zinc/45/28/18/594452818.db2.gz	JWNBVLALFFZHEI-UHFFFAOYSA-N	-2	1	328.361	1.484	20	30		EDEDML
Cc1nc(NC(=O)[O-])sc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000833914268	594963534	/nfs/dbraw/zinc/96/35/34/594963534.db2.gz	UCQRGXFUCVZMDG-QMMMGPOBSA-N	-2	1	345.340	1.898	20	30		EDEDML
N#C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CCN1C1CC1	ZINC000740306683	579329422	/nfs/dbraw/zinc/32/94/22/579329422.db2.gz	IYGBEAXHPWSWJX-GFCCVEGCSA-N	-2	1	330.344	1.294	20	30		EDEDML
Cc1nnc(NN=Cc2cc(O)cc(Br)c2[O-])[n-]c1=O	ZINC000755525228	579928751	/nfs/dbraw/zinc/92/87/51/579928751.db2.gz	SGAFEYGIQAILHU-UHFFFAOYSA-N	-2	1	340.137	1.505	20	30		EDEDML
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000776596552	580423435	/nfs/dbraw/zinc/42/34/35/580423435.db2.gz	GITLZWRFMMEYNU-SSDOTTSWSA-N	-2	1	338.179	1.740	20	30		EDEDML
Cn1c([O-])c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c(=O)n(C)c1=O	ZINC000821012916	593945402	/nfs/dbraw/zinc/94/54/02/593945402.db2.gz	QGYYLPBVFOMDQV-GQCTYLIASA-N	-2	1	336.731	1.045	20	30		EDEDML
Cn1c([O-])c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c(=O)n(C)c1=O	ZINC000821012917	593945419	/nfs/dbraw/zinc/94/54/19/593945419.db2.gz	QGYYLPBVFOMDQV-XQRVVYSFSA-N	-2	1	336.731	1.045	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)nc1-c1nn[n-]n1	ZINC000822815322	594105395	/nfs/dbraw/zinc/10/53/95/594105395.db2.gz	OVWQBLGKQZDEFT-ZJUUUORDSA-N	-2	1	326.364	1.616	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)o1	ZINC000567443569	448692620	/nfs/dbraw/zinc/69/26/20/448692620.db2.gz	ZBTUBWKHFZEZRG-UHFFFAOYSA-N	-2	1	342.279	1.606	20	30		EDEDML
COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(OCC(=O)[O-])c1	ZINC000734363195	578809028	/nfs/dbraw/zinc/80/90/28/578809028.db2.gz	WUGSJYOCZRKRNE-UHFFFAOYSA-N	-2	1	332.316	1.409	20	30		EDEDML
Cc1cc(C)n(N=Cc2cc(C(=O)[O-])cs2)c(=O)c1-c1nn[n-]n1	ZINC000826265201	594403270	/nfs/dbraw/zinc/40/32/70/594403270.db2.gz	PMJYKMSQPIMMKQ-UHFFFAOYSA-N	-2	1	344.356	1.287	20	30		EDEDML
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCCC#N)c1OC	ZINC000267519625	443484243	/nfs/dbraw/zinc/48/42/43/443484243.db2.gz	NIVMJTSTAMNPSE-UHFFFAOYSA-N	-2	1	328.346	1.447	20	30		EDEDML
Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cc1	ZINC000287432211	443744072	/nfs/dbraw/zinc/74/40/72/443744072.db2.gz	GVZAOCBDEHGANL-CYBMUJFWSA-N	-2	1	348.380	1.682	20	30		EDEDML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000596032760	449327681	/nfs/dbraw/zinc/32/76/81/449327681.db2.gz	DXTPOHNONTYMSV-SECBINFHSA-N	-2	1	331.346	1.072	20	30		EDEDML
CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(C(=O)[O-])cc1	ZINC000769819661	580246187	/nfs/dbraw/zinc/24/61/87/580246187.db2.gz	UOFQZJNVLFYDHM-UHFFFAOYSA-N	-2	1	340.343	1.993	20	30		EDEDML
C=CCN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C1CC1	ZINC000833374957	594835944	/nfs/dbraw/zinc/83/59/44/594835944.db2.gz	BFPHNBJKRDFTGE-UHFFFAOYSA-N	-2	1	341.367	1.583	20	30		EDEDML
C=CCCS(=O)(=O)[N-]c1c(C(=O)[O-])cc(OC)c(OC)c1OC	ZINC000268547852	443030794	/nfs/dbraw/zinc/03/07/94/443030794.db2.gz	MNGULENCTSWGNY-UHFFFAOYSA-N	-2	1	345.373	1.728	20	30		EDEDML
N#CCC1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])CC1	ZINC000576283501	448018660	/nfs/dbraw/zinc/01/86/60/448018660.db2.gz	RUFYJLURDSNEPW-UHFFFAOYSA-N	-2	1	339.329	1.729	20	30		EDEDML
O=C([O-])c1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000914600231	695590373	/nfs/dbraw/zinc/59/03/73/695590373.db2.gz	SOJOGBTYGRDCAB-UHFFFAOYSA-N	-2	1	329.337	1.457	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)o1	ZINC000558473675	321014332	/nfs/dbraw/zinc/01/43/32/321014332.db2.gz	ZHWHSGJRDYXZEJ-GFCCVEGCSA-N	-2	1	338.316	1.785	20	30		EDEDML
C[C@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccccc1F	ZINC000735571164	578900802	/nfs/dbraw/zinc/90/08/02/578900802.db2.gz	SMNGAEPCCWVGGX-ZETCQYMHSA-N	-2	1	326.295	1.343	20	30		EDEDML
O=C([O-])c1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1O	ZINC000777432571	580441524	/nfs/dbraw/zinc/44/15/24/580441524.db2.gz	VDSRZKGZPUDGPH-UHFFFAOYSA-N	-2	1	345.336	1.163	20	30		EDEDML
O=C([O-])c1cccc2c1CC(N=Nc1nc3[nH][n-]cc-3c(=O)n1)CC2	ZINC000814842742	593604495	/nfs/dbraw/zinc/60/44/95/593604495.db2.gz	DTINPSQJYMJRMM-UHFFFAOYSA-N	-2	1	338.327	1.087	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772880	594243473	/nfs/dbraw/zinc/24/34/73/594243473.db2.gz	SDNHAXLSRCIRJY-NFAHFFEMSA-N	-2	1	341.319	1.955	20	30		EDEDML
N#CCCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851700301	595890066	/nfs/dbraw/zinc/89/00/66/595890066.db2.gz	ATZITJHMNSNEOW-MWLCHTKSSA-N	-2	1	349.309	1.193	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@@H]2CCCc3ccccc32)nc1-c1nn[nH]n1	ZINC000737706045	578538920	/nfs/dbraw/zinc/53/89/20/578538920.db2.gz	URBCTGPGXBSODP-NSHDSACASA-N	-2	1	348.370	1.910	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@@H]2CCCc3ccccc32)nc1-c1nn[n-]n1	ZINC000737706045	578538921	/nfs/dbraw/zinc/53/89/21/578538921.db2.gz	URBCTGPGXBSODP-NSHDSACASA-N	-2	1	348.370	1.910	20	30		EDEDML
C[C@@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1ccc(Cl)s1	ZINC000819876865	593772888	/nfs/dbraw/zinc/77/28/88/593772888.db2.gz	JNHWBXGFVONYQL-RXMQYKEDSA-N	-2	1	348.779	1.919	20	30		EDEDML
N#Cc1[n-]c(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)nc1-c1nn[n-]n1	ZINC000822814243	594105224	/nfs/dbraw/zinc/10/52/24/594105224.db2.gz	CWKGLHSXZBIKJY-WDEREUQCSA-N	-2	1	334.343	1.279	20	30		EDEDML
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1	ZINC000833366545	594835122	/nfs/dbraw/zinc/83/51/22/594835122.db2.gz	CHOVNPQQJAFAMX-UHFFFAOYSA-N	-2	1	332.337	1.593	20	30		EDEDML
COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1CC(=O)[O-]	ZINC000340904624	444567881	/nfs/dbraw/zinc/56/78/81/444567881.db2.gz	UOVNHLIOSPBCQT-UHFFFAOYSA-N	-2	1	346.364	1.995	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cc3c(s2)CCC3)nc1-c1nn[n-]n1	ZINC000826382569	594452848	/nfs/dbraw/zinc/45/28/48/594452848.db2.gz	KFHGBBMHPUZMFR-UHFFFAOYSA-N	-2	1	326.345	1.264	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000837293614	595078174	/nfs/dbraw/zinc/07/81/74/595078174.db2.gz	YIEDDQCHXIZBMV-QMMMGPOBSA-N	-2	1	332.309	1.432	20	30		EDEDML
Cc1c(C(=O)[O-])oc2c1C(=NNc1nc3[nH][n-]cc-3c(=O)n1)CCC2	ZINC000731157971	578669637	/nfs/dbraw/zinc/66/96/37/578669637.db2.gz	VZSPAWHKKYQYSP-UHFFFAOYSA-N	-2	1	342.315	1.184	20	30		EDEDML
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000736089701	578953112	/nfs/dbraw/zinc/95/31/12/578953112.db2.gz	OXCXFHNINOJXGW-UHFFFAOYSA-N	-2	1	347.348	1.903	20	30		EDEDML
O=C([O-])c1ccc2[nH]cc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)c2c1	ZINC000740191274	579298791	/nfs/dbraw/zinc/29/87/91/579298791.db2.gz	XPTBIBAPGQYMCQ-UHFFFAOYSA-N	-2	1	337.299	1.058	20	30		EDEDML
Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683365	579606544	/nfs/dbraw/zinc/60/65/44/579606544.db2.gz	JRHRUDNGEZQULB-KEGWNNHHSA-N	-2	1	344.319	1.768	20	30		EDEDML
N#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000751211030	579797449	/nfs/dbraw/zinc/79/74/49/579797449.db2.gz	KZETZVOZCOEJAP-UHFFFAOYSA-N	-2	1	348.336	1.794	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])o1	ZINC000806636448	593461096	/nfs/dbraw/zinc/46/10/96/593461096.db2.gz	OFQKMWWHTMODBV-NSHDSACASA-N	-2	1	326.374	1.711	20	30		EDEDML
N#CCCCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851700302	595889986	/nfs/dbraw/zinc/88/99/86/595889986.db2.gz	ATZITJHMNSNEOW-ONGXEEELSA-N	-2	1	349.309	1.193	20	30		EDEDML
O=C([O-])NC1CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000740552077	578551963	/nfs/dbraw/zinc/55/19/63/578551963.db2.gz	ZMFQZOSQLBGLEU-UHFFFAOYSA-N	-2	1	336.373	1.291	20	30		EDEDML
CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(F)c1	ZINC000735446657	578884975	/nfs/dbraw/zinc/88/49/75/578884975.db2.gz	CSQJSXUASHZGHR-YVMONPNESA-N	-2	1	338.306	1.643	20	30		EDEDML
Cc1cc(C)c(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c(C)c1	ZINC000826262859	594402302	/nfs/dbraw/zinc/40/23/02/594402302.db2.gz	AQSFRUCBDYNYLL-UHFFFAOYSA-N	-2	1	336.359	1.568	20	30		EDEDML
N#CCCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851700299	595889842	/nfs/dbraw/zinc/88/98/42/595889842.db2.gz	ATZITJHMNSNEOW-KOLCDFICSA-N	-2	1	349.309	1.193	20	30		EDEDML
C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776589249	580422793	/nfs/dbraw/zinc/42/27/93/580422793.db2.gz	UXFCODNSJLHPPE-VIFPVBQESA-N	-2	1	348.764	1.946	20	30		EDEDML
C[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000814798356	593603060	/nfs/dbraw/zinc/60/30/60/593603060.db2.gz	CNNTWFKCRHLOPY-KOLCDFICSA-N	-2	1	335.385	1.602	20	30		EDEDML
CC(C)[C@@H]1C[C@H](CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCO1	ZINC000824213383	593958056	/nfs/dbraw/zinc/95/80/56/593958056.db2.gz	AKTRFIHKJGTUQX-KOLCDFICSA-N	-2	1	344.379	1.241	20	30		EDEDML
COc1ccc([O-])c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1	ZINC000342779825	444863939	/nfs/dbraw/zinc/86/39/39/444863939.db2.gz	KXPGWXWBXNGAAM-UHFFFAOYSA-N	-2	1	336.373	1.851	20	30		EDEDML
C=CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@H](C)COC	ZINC000617580527	449697269	/nfs/dbraw/zinc/69/72/69/449697269.db2.gz	ZYHZMIIDDICITR-SNVBAGLBSA-N	-2	1	332.360	1.408	20	30		EDEDML
C=CC[C@@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736096252	578953504	/nfs/dbraw/zinc/95/35/04/578953504.db2.gz	JLLSBLWETZTSIU-LLVKDONJSA-N	-2	1	329.356	1.487	20	30		EDEDML
C=CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)[O-]	ZINC000776597038	580423518	/nfs/dbraw/zinc/42/35/18/580423518.db2.gz	LZAHRWBOQXQNAR-NSHDSACASA-N	-2	1	335.328	1.671	20	30		EDEDML
CCC[C@@H](C#N)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736952404	593045506	/nfs/dbraw/zinc/04/55/06/593045506.db2.gz	PPTWNTOTOMBJCG-LBPRGKRZSA-N	-2	1	342.355	1.215	20	30		EDEDML
CC(CC1(C(=O)[O-])CCC1)=NN=C1[N-]S(=O)(=O)c2ccccc21	ZINC000814799222	593603302	/nfs/dbraw/zinc/60/33/02/593603302.db2.gz	XXIHALMWYFPDKO-UHFFFAOYSA-N	-2	1	335.385	1.746	20	30		EDEDML
O=C([O-])N1CCC(C=NN=C2[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000831869700	594708429	/nfs/dbraw/zinc/70/84/29/594708429.db2.gz	SDQWADYKRHCFAZ-UHFFFAOYSA-N	-2	1	336.373	1.101	20	30		EDEDML
O=C([O-])Nc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cn1	ZINC000832840637	594780276	/nfs/dbraw/zinc/78/02/76/594780276.db2.gz	LNUBBKATLZGAJA-UHFFFAOYSA-N	-2	1	345.340	1.244	20	30		EDEDML
C=CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccncc1	ZINC000833370235	594835684	/nfs/dbraw/zinc/83/56/84/594835684.db2.gz	KAXGZKACFLDBMB-SNVBAGLBSA-N	-2	1	339.398	1.832	20	30		EDEDML
O=C([O-])N[C@@H]1CCCC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000834171636	595039155	/nfs/dbraw/zinc/03/91/55/595039155.db2.gz	ZXBIULABHKIHHS-MRVPVSSYSA-N	-2	1	342.333	1.049	20	30		EDEDML
C=CCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851701871	595890635	/nfs/dbraw/zinc/89/06/35/595890635.db2.gz	ZVYBLDKUEQQUMU-MWLCHTKSSA-N	-2	1	336.310	1.465	20	30		EDEDML
N#CCCCCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000739069068	600077548	/nfs/dbraw/zinc/07/75/48/600077548.db2.gz	JRJNMYVVGMUTTR-UHFFFAOYSA-N	-2	1	342.355	1.216	20	30		EDEDML
CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000554533109	306194832	/nfs/dbraw/zinc/19/48/32/306194832.db2.gz	IAQOJZKXJYBGRR-LLVKDONJSA-N	-2	1	344.414	1.582	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)o1	ZINC000588316581	448894027	/nfs/dbraw/zinc/89/40/27/448894027.db2.gz	VKOVKRWVDTVNSK-GFCCVEGCSA-N	-2	1	334.353	1.688	20	30		EDEDML
N#Cc1[n-]c(NC(=O)C[C@H]2CCc3ccccc32)nc1-c1nn[n-]n1	ZINC000737704336	578530774	/nfs/dbraw/zinc/53/07/74/578530774.db2.gz	DTJBTSSSWBEMIX-SNVBAGLBSA-N	-2	1	334.343	1.520	20	30		EDEDML
CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(C(=O)[O-])ccc1F	ZINC000756890520	579959660	/nfs/dbraw/zinc/95/96/60/579959660.db2.gz	YOLXGCIHPVPWFZ-UHFFFAOYSA-N	-2	1	344.306	1.496	20	30		EDEDML
CC(C)C[C@@H](C)OCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820055713	593786934	/nfs/dbraw/zinc/78/69/34/593786934.db2.gz	JWPIBDVYQXQBFV-SECBINFHSA-N	-2	1	332.368	1.241	20	30		EDEDML
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821056519	593955401	/nfs/dbraw/zinc/95/54/01/593955401.db2.gz	TWWYEBYAHDOCJE-SECBINFHSA-N	-2	1	332.389	1.557	20	30		EDEDML
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826316134	594421346	/nfs/dbraw/zinc/42/13/46/594421346.db2.gz	DSKRPMVKQQIBOB-HTQZYQBOSA-N	-2	1	340.372	1.574	20	30		EDEDML
Cc1noc(C)c1[C@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826338071	594433104	/nfs/dbraw/zinc/43/31/04/594433104.db2.gz	JWKNWHZIDJRKNI-ZCFIWIBFSA-N	-2	1	341.335	1.199	20	30		EDEDML
C#CC[C@@H]1CCCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000843680251	595166374	/nfs/dbraw/zinc/16/63/74/595166374.db2.gz	ZDYACGGRPJJJDO-LLVKDONJSA-N	-2	1	326.356	1.620	20	30		EDEDML
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C#N)o2)(CC(=O)[O-])C1	ZINC000576609335	448096999	/nfs/dbraw/zinc/09/69/99/448096999.db2.gz	GXCQUNOQSLJQLF-HZMBPMFUSA-N	-2	1	326.374	1.711	20	30		EDEDML
C=C(Cl)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000736341678	578980184	/nfs/dbraw/zinc/98/01/84/578980184.db2.gz	ACPUEFVZSAPPDD-UHFFFAOYSA-N	-2	1	342.801	1.228	20	30		EDEDML
O=C([O-])C1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000814864701	593605469	/nfs/dbraw/zinc/60/54/69/593605469.db2.gz	HTPHCPHSPULSRU-UHFFFAOYSA-N	-2	1	341.345	1.504	20	30		EDEDML
O=C([O-])c1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1Cl	ZINC000814842577	593604392	/nfs/dbraw/zinc/60/43/92/593604392.db2.gz	BMBIIMNHSOFZTB-UHFFFAOYSA-N	-2	1	332.707	1.230	20	30		EDEDML
C[C@@H]1C(N=Nc2nc3[nH][n-]cc-3c(=O)n2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814843200	593604715	/nfs/dbraw/zinc/60/47/15/593604715.db2.gz	OGHOVPCVZLMEDU-APPZFPTMSA-N	-2	1	332.364	1.357	20	30		EDEDML
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000819158090	593741949	/nfs/dbraw/zinc/74/19/49/593741949.db2.gz	FVGTWIFQNLFQDS-KWQFWETISA-N	-2	1	347.339	1.532	20	30		EDEDML
CCC(CC)n1nccc1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000820902293	593918170	/nfs/dbraw/zinc/91/81/70/593918170.db2.gz	JDTYGDQFBJHGPE-UHFFFAOYSA-N	-2	1	340.351	1.271	20	30		EDEDML
CC[C@H](NC(=O)[O-])C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000827538434	594227688	/nfs/dbraw/zinc/22/76/88/594227688.db2.gz	FRBMNPYIMHQEMI-BDAKNGLRSA-N	-2	1	325.346	1.217	20	30		EDEDML
Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073766921	301149514	/nfs/dbraw/zinc/14/95/14/301149514.db2.gz	ZPNMTCVNCDMGKT-HUTHGQBESA-N	-2	1	341.371	1.534	20	30		EDEDML
C[C@@H]1C(N=Nc2nc3[nH][n-]cc-3c(=O)n2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814843203	593604649	/nfs/dbraw/zinc/60/46/49/593604649.db2.gz	OGHOVPCVZLMEDU-VXNVDRBHSA-N	-2	1	332.364	1.357	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)o1	ZINC000548767702	306137303	/nfs/dbraw/zinc/13/73/03/306137303.db2.gz	DVWDNFLZOIADDC-GFCCVEGCSA-N	-2	1	340.744	1.909	20	30		EDEDML
Cc1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000297008479	444267978	/nfs/dbraw/zinc/26/79/78/444267978.db2.gz	SVLNTBIGTLSHHN-UWVGGRQHSA-N	-2	1	327.344	1.557	20	30		EDEDML
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)ccc1[O-]	ZINC000531653173	448123639	/nfs/dbraw/zinc/12/36/39/448123639.db2.gz	RSMRZGOUXAJPIR-UHFFFAOYSA-N	-2	1	347.352	1.441	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)o1	ZINC000588316043	448894514	/nfs/dbraw/zinc/89/45/14/448894514.db2.gz	AHDOIAYIYGYGNG-LBPRGKRZSA-N	-2	1	342.279	1.534	20	30		EDEDML
CCc1ccc([C@H](C)C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1	ZINC000736690820	579012651	/nfs/dbraw/zinc/01/26/51/579012651.db2.gz	WASGJTIAKOJAIB-VIFPVBQESA-N	-2	1	336.359	1.766	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])o1	ZINC000516501501	268258394	/nfs/dbraw/zinc/25/83/94/268258394.db2.gz	UDVLAMBEZVEAIS-LBPRGKRZSA-N	-2	1	338.316	1.265	20	30		EDEDML
CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])C1(C)C	ZINC000554430452	306191240	/nfs/dbraw/zinc/19/12/40/306191240.db2.gz	MELYSVZLOZWCLR-YGRLFVJLSA-N	-2	1	342.373	1.088	20	30		EDEDML
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000281227497	443853134	/nfs/dbraw/zinc/85/31/34/443853134.db2.gz	DXWTXKNWHCOAKF-MFKMUULPSA-N	-2	1	344.371	1.455	20	30		EDEDML
O=C([O-])c1ccccc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000748248587	579677090	/nfs/dbraw/zinc/67/70/90/579677090.db2.gz	RTFDPELGPKCODU-UHFFFAOYSA-N	-2	1	349.324	1.605	20	30		EDEDML
Cc1nc(-c2nn[n-]n2)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000822423847	594046819	/nfs/dbraw/zinc/04/68/19/594046819.db2.gz	PTXGNCJYNIPADP-UHFFFAOYSA-N	-2	1	330.264	1.223	20	30		EDEDML
O=C([O-])N1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000831864551	594708150	/nfs/dbraw/zinc/70/81/50/594708150.db2.gz	WCDVMPPNQXQMTE-UHFFFAOYSA-N	-2	1	342.333	1.003	20	30		EDEDML
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[n-]n2)s1	ZINC000821056120	593955093	/nfs/dbraw/zinc/95/50/93/593955093.db2.gz	LIDSZYRMNDTOED-SNVBAGLBSA-N	-2	1	346.416	1.947	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cnc3ccsc3c2)nc1-c1nn[n-]n1	ZINC000822814865	594105391	/nfs/dbraw/zinc/10/53/91/594105391.db2.gz	KFNYUTAETCOXOA-UHFFFAOYSA-N	-2	1	337.328	1.323	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2ccc(F)c(Cl)c2)nc1-c1nn[n-]n1	ZINC000822815642	594105817	/nfs/dbraw/zinc/10/58/17/594105817.db2.gz	VHKLTODEIJSVCI-UHFFFAOYSA-N	-2	1	332.686	1.506	20	30		EDEDML
CC[C@@H](C#N)[N-]S(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC	ZINC000833636350	594894429	/nfs/dbraw/zinc/89/44/29/594894429.db2.gz	PAKTXAOMBJIUIY-ZETCQYMHSA-N	-2	1	346.386	1.122	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cn1	ZINC000548262126	306123094	/nfs/dbraw/zinc/12/30/94/306123094.db2.gz	NJSVZOQJEYGIRE-UHFFFAOYSA-N	-2	1	339.279	1.730	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](Cc2ccccc2)C(=O)[O-])o1	ZINC000548769197	306137433	/nfs/dbraw/zinc/13/74/33/306137433.db2.gz	FOOMHQCOBDLWCE-ZDUSSCGKSA-N	-2	1	348.380	1.763	20	30		EDEDML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ncccc1C(F)(F)F	ZINC000650421472	452752888	/nfs/dbraw/zinc/75/28/88/452752888.db2.gz	IQJSTBVJUHRVBM-QMMMGPOBSA-N	-2	1	338.307	1.798	20	30		EDEDML
CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(=O)[O-])cc1	ZINC000760252794	580026599	/nfs/dbraw/zinc/02/65/99/580026599.db2.gz	LKOIQGZXYCGITH-UHFFFAOYSA-N	-2	1	326.316	1.356	20	30		EDEDML
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000737225828	579057972	/nfs/dbraw/zinc/05/79/72/579057972.db2.gz	TXXHSZOMCSWBJT-UHFFFAOYSA-N	-2	1	340.368	1.848	20	30		EDEDML
COC(=O)c1ccc([N-]N=C2Oc3cc([O-])cc(C)c3C2=O)nc1	ZINC000758116720	579975537	/nfs/dbraw/zinc/97/55/37/579975537.db2.gz	CFRQENYTMZLZDN-UHFFFAOYSA-N	-2	1	327.296	1.883	20	30		EDEDML
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1csc(C(=O)[O-])c1	ZINC000814798424	593603023	/nfs/dbraw/zinc/60/30/23/593603023.db2.gz	FPXDDXFQXWOFIQ-UHFFFAOYSA-N	-2	1	349.393	1.909	20	30		EDEDML
CCC(CC)n1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n1	ZINC000820897860	593917661	/nfs/dbraw/zinc/91/76/61/593917661.db2.gz	PFJZGKNCQXOFPG-UHFFFAOYSA-N	-2	1	340.351	1.271	20	30		EDEDML
CN1CC[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)c2ccccc21	ZINC000826022635	594308277	/nfs/dbraw/zinc/30/82/77/594308277.db2.gz	PWTRLPVLTJAVRN-SNVBAGLBSA-N	-2	1	349.358	1.024	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2c[nH]c3cccc(F)c23)nc1-c1nn[n-]n1	ZINC000826382456	594452827	/nfs/dbraw/zinc/45/28/27/594452827.db2.gz	FTPHIVRXIHTSAO-UHFFFAOYSA-N	-2	1	337.278	1.334	20	30		EDEDML
C#CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1	ZINC000833362940	594834140	/nfs/dbraw/zinc/83/41/40/594834140.db2.gz	SIFIVBFHXQHVGR-NSHDSACASA-N	-2	1	336.394	1.884	20	30		EDEDML
N#Cc1[n-]c(NC(=O)c2cc3cccc(F)c3o2)nc1-c1nn[n-]n1	ZINC000822814139	594105563	/nfs/dbraw/zinc/10/55/63/594105563.db2.gz	BPWSWLQBYFUFAE-UHFFFAOYSA-N	-2	1	338.262	1.599	20	30		EDEDML
C=CCn1c(SCc2nc(C(C)(C)NC(=O)[O-])no2)n[nH]c1=O	ZINC000823521844	594213962	/nfs/dbraw/zinc/21/39/62/594213962.db2.gz	KQYGZJRZUJCJHI-UHFFFAOYSA-N	-2	1	340.365	1.348	20	30		EDEDML
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)[C@H]1CCCO1	ZINC000871944168	596753924	/nfs/dbraw/zinc/75/39/24/596753924.db2.gz	ZUSCEAGLQGUUOL-WDEREUQCSA-N	-2	1	345.323	1.122	20	30		EDEDML
C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000736540754	578997391	/nfs/dbraw/zinc/99/73/91/578997391.db2.gz	KPQIOPVQZQHRJX-NSHDSACASA-N	-2	1	342.355	1.167	20	30		EDEDML
COc1c([O-])c(C=NNc2ccc(C(=O)[O-])cn2)ccc1[N+](=O)[O-]	ZINC000773077837	580326451	/nfs/dbraw/zinc/32/64/51/580326451.db2.gz	CYPHTHVOWQVLOV-UHFFFAOYSA-N	-2	1	332.272	1.848	20	30		EDEDML
C[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000814798357	593603164	/nfs/dbraw/zinc/60/31/64/593603164.db2.gz	CNNTWFKCRHLOPY-MWLCHTKSSA-N	-2	1	335.385	1.602	20	30		EDEDML
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)o1	ZINC000548767705	306137314	/nfs/dbraw/zinc/13/73/14/306137314.db2.gz	DVWDNFLZOIADDC-LBPRGKRZSA-N	-2	1	340.744	1.909	20	30		EDEDML
C=CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)[C@@H](C)COC	ZINC000617580526	449697233	/nfs/dbraw/zinc/69/72/33/449697233.db2.gz	ZYHZMIIDDICITR-JTQLQIEISA-N	-2	1	332.360	1.408	20	30		EDEDML
CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)c1cccc(F)c1	ZINC000735446655	578884980	/nfs/dbraw/zinc/88/49/80/578884980.db2.gz	CSQJSXUASHZGHR-VMPITWQZSA-N	-2	1	338.306	1.643	20	30		EDEDML