smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000830969034	594528410	/nfs/dbraw/zinc/52/84/10/594528410.db2.gz	OKZKSFAGLZHBPP-ZWNOBZJWSA-N	-1	2	328.328	1.128	20	30		EDEDLM
Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000830969034	594528411	/nfs/dbraw/zinc/52/84/11/594528411.db2.gz	OKZKSFAGLZHBPP-ZWNOBZJWSA-N	-1	2	328.328	1.128	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C#N	ZINC000832770750	594775453	/nfs/dbraw/zinc/77/54/53/594775453.db2.gz	DRMLJLVVDZHDJD-JTQLQIEISA-N	-1	2	337.401	1.857	20	30		EDEDLM
N#Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)ccc1Cl	ZINC000739099308	600529848	/nfs/dbraw/zinc/52/98/48/600529848.db2.gz	TXWICUVOYDVEOV-UHFFFAOYSA-N	-1	2	340.748	1.294	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1CCC#N	ZINC000271093508	443490910	/nfs/dbraw/zinc/49/09/10/443490910.db2.gz	VPNBUSDAWOHHMV-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
Cc1ccnc2[nH]c([C@H](C#N)C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)nc21	ZINC000830610726	594437413	/nfs/dbraw/zinc/43/74/13/594437413.db2.gz	ABRFRNRZNKVNMA-GHMZBOCLSA-N	-1	2	343.343	1.212	20	30		EDEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)nc1-2	ZINC000830610726	594437416	/nfs/dbraw/zinc/43/74/16/594437416.db2.gz	ABRFRNRZNKVNMA-GHMZBOCLSA-N	-1	2	343.343	1.212	20	30		EDEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000831031507	594541516	/nfs/dbraw/zinc/54/15/16/594541516.db2.gz	RAPHLTKYHNBFMK-GFCCVEGCSA-N	-1	2	326.312	1.644	20	30		EDEDLM
N#Cc1ccc([C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(N)=O)cc1	ZINC000737713539	578559153	/nfs/dbraw/zinc/55/91/53/578559153.db2.gz	YPJBXKOSPVGFPQ-OAHLLOKOSA-N	-1	2	333.355	1.055	20	30		EDEDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000326561935	444376499	/nfs/dbraw/zinc/37/64/99/444376499.db2.gz	DFOPMAIOSDMCON-UHFFFAOYSA-N	-1	2	347.352	1.769	20	30		EDEDLM
O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC[C@H]1Cc2ccccc2O1	ZINC000329470689	444592926	/nfs/dbraw/zinc/59/29/26/444592926.db2.gz	YZZGPGAYDRISCF-OLZOCXBDSA-N	-1	2	344.371	1.023	20	30		EDEDLM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000740304729	579329008	/nfs/dbraw/zinc/32/90/08/579329008.db2.gz	XVNLTEMMCKRRHC-QMMMGPOBSA-N	-1	2	345.340	1.267	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1	ZINC000906808802	592336109	/nfs/dbraw/zinc/33/61/09/592336109.db2.gz	ZWQBIFAYCADHHO-AWEZNQCLSA-N	-1	2	346.412	1.662	20	30		EDEDLM
O=C([N-]C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277153	593493989	/nfs/dbraw/zinc/49/39/89/593493989.db2.gz	SGBCLLLTAUEQDP-RNFRBKRXSA-N	-1	2	338.223	1.804	20	30		EDEDLM
O=C([N-]C[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277153	593493988	/nfs/dbraw/zinc/49/39/88/593493988.db2.gz	SGBCLLLTAUEQDP-RNFRBKRXSA-N	-1	2	338.223	1.804	20	30		EDEDLM
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])c(F)c1	ZINC000275377648	268333076	/nfs/dbraw/zinc/33/30/76/268333076.db2.gz	ZIQJBMHLPGFYGR-MRVPVSSYSA-N	-1	2	340.254	1.223	20	30		EDEDLM
Cn1ncc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C(=O)[O-]	ZINC000539191803	306034781	/nfs/dbraw/zinc/03/47/81/306034781.db2.gz	FOZJWMLJQAVRRX-UHFFFAOYSA-N	-1	2	340.748	1.444	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683363	579606560	/nfs/dbraw/zinc/60/65/60/579606560.db2.gz	JRHRUDNGEZQULB-FUTAKVPZSA-N	-1	2	344.319	1.768	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1	ZINC000756936845	579960521	/nfs/dbraw/zinc/96/05/21/579960521.db2.gz	WCZASYFQXQPDOM-UHFFFAOYSA-N	-1	2	342.283	1.184	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C#N	ZINC000832770871	594775463	/nfs/dbraw/zinc/77/54/63/594775463.db2.gz	KTOHDFPDHVOPOT-ZDUSSCGKSA-N	-1	2	325.321	1.020	20	30		EDEDLM
CC[C@H](C#N)S(=O)(=O)Nc1cc(CCC(=O)[O-])ccc1OC	ZINC000416949629	447722373	/nfs/dbraw/zinc/72/23/73/447722373.db2.gz	HJVSVKVZUSIJBQ-LLVKDONJSA-N	-1	2	326.374	1.756	20	30		EDEDLM
CC[C@@H](C#N)S(=O)(=O)Nc1c(OC)cc(OC)cc1C(=O)[O-]	ZINC000524676572	447938941	/nfs/dbraw/zinc/93/89/41/447938941.db2.gz	FMQQZRINMKHLIA-VIFPVBQESA-N	-1	2	328.346	1.446	20	30		EDEDLM
CC[C@H](C#N)S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600654657	449473216	/nfs/dbraw/zinc/47/32/16/449473216.db2.gz	ARXZJKCXXZZTTL-SECBINFHSA-N	-1	2	327.318	1.645	20	30		EDEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)CCCN(C)C(=O)[O-])n1	ZINC000737154731	579052199	/nfs/dbraw/zinc/05/21/99/579052199.db2.gz	KFHJPNDBPXYJMK-SECBINFHSA-N	-1	2	339.373	1.886	20	30		EDEDLM
Cc1nnc(S)n(N=Cc2cccc3c2N(C(=O)[O-])CCC3)c1=O	ZINC000830887998	594505690	/nfs/dbraw/zinc/50/56/90/594505690.db2.gz	ZEFXVNNGJLWNKB-UHFFFAOYSA-N	-1	2	345.384	1.548	20	30		EDEDLM
N#Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])ccc1F	ZINC000833069574	594795706	/nfs/dbraw/zinc/79/57/06/594795706.db2.gz	GWZWPSUUZPRASQ-UHFFFAOYSA-N	-1	2	327.318	1.653	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(CCC#N)n1	ZINC000738462303	600053698	/nfs/dbraw/zinc/05/36/98/600053698.db2.gz	KJGFYIVLHGDCJL-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](NC(=O)[O-])C(C)C)n1	ZINC000737154911	579052278	/nfs/dbraw/zinc/05/22/78/579052278.db2.gz	NKGJGGPGFJKUCO-WCBMZHEXSA-N	-1	2	339.373	1.788	20	30		EDEDLM
C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000775298271	580387464	/nfs/dbraw/zinc/38/74/64/580387464.db2.gz	NNWFWZKVTWQOFR-UHFFFAOYSA-N	-1	2	334.353	1.536	20	30		EDEDLM
Cc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c(C(=O)[O-])c1	ZINC000833751105	594921981	/nfs/dbraw/zinc/92/19/81/594921981.db2.gz	OHOMILLURQOGKQ-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
CCn1cc[nH+]c1CSc1nc(N)c(C#N)cc1-c1nn[nH]n1	ZINC000736723581	579015309	/nfs/dbraw/zinc/01/53/09/579015309.db2.gz	YIDRKKISKLFVIX-UHFFFAOYSA-N	-1	2	327.377	1.224	20	30		EDEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)CC(C)(C)NC(=O)[O-])n1	ZINC000739481847	579211321	/nfs/dbraw/zinc/21/13/21/579211321.db2.gz	FBCVVXGCZICQSO-MRVPVSSYSA-N	-1	2	339.373	1.932	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)CC(C)(C)NC(=O)[O-])n1	ZINC000739481847	579211322	/nfs/dbraw/zinc/21/13/22/579211322.db2.gz	FBCVVXGCZICQSO-MRVPVSSYSA-N	-1	2	339.373	1.932	20	30		EDEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)C3CCN(C(=O)[O-])CC3)nc1-2	ZINC000830612136	594437653	/nfs/dbraw/zinc/43/76/53/594437653.db2.gz	VKTBXXUDVDRWLU-LLVKDONJSA-N	-1	2	327.344	1.833	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000344368274	444923599	/nfs/dbraw/zinc/92/35/99/444923599.db2.gz	VPPZWHRBENQTMQ-UHFFFAOYSA-N	-1	2	337.317	1.211	20	30		EDEDLM
N#Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000361982472	446126367	/nfs/dbraw/zinc/12/63/67/446126367.db2.gz	FFYCTMSTAKUMFK-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
N#Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000614318099	486654177	/nfs/dbraw/zinc/65/41/77/486654177.db2.gz	FJZRNKDQNZVQKA-UHFFFAOYSA-N	-1	2	336.300	1.902	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c(F)c1	ZINC000740321397	579331198	/nfs/dbraw/zinc/33/11/98/579331198.db2.gz	JQCUGAARYKMCOL-UHFFFAOYSA-N	-1	2	336.304	1.983	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000739482636	578285350	/nfs/dbraw/zinc/28/53/50/578285350.db2.gz	YNNRRSHGVNGLKL-BDAKNGLRSA-N	-1	2	337.357	1.496	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000739482636	578285352	/nfs/dbraw/zinc/28/53/52/578285352.db2.gz	YNNRRSHGVNGLKL-BDAKNGLRSA-N	-1	2	337.357	1.496	20	30		EDEDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)CC(C)(C)C#N)c1OC	ZINC000753524378	579882192	/nfs/dbraw/zinc/88/21/92/579882192.db2.gz	RWQXBFKMPSDNRJ-UHFFFAOYSA-N	-1	2	342.373	1.693	20	30		EDEDLM
Cn1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000790004961	580759211	/nfs/dbraw/zinc/75/92/11/580759211.db2.gz	HLQGMDVHSPTRLN-UHFFFAOYSA-N	-1	2	340.748	1.444	20	30		EDEDLM
C=C1[C@@H](C(=O)[N-]OCC(F)(F)F)[C@@H]1C(=O)NOCC(F)(F)F	ZINC000901111367	592234884	/nfs/dbraw/zinc/23/48/84/592234884.db2.gz	OVFKNOMDRBZVBW-PHDIDXHHSA-N	-1	2	336.188	1.009	20	30		EDEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)nc1-2	ZINC000830611592	594437572	/nfs/dbraw/zinc/43/75/72/594437572.db2.gz	MROVJVZBGHXGBH-HBNTYKKESA-N	-1	2	327.344	1.879	20	30		EDEDLM
CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OCCOC	ZINC000600662330	449478598	/nfs/dbraw/zinc/47/85/98/449478598.db2.gz	JNAGAIULENJJOY-LLVKDONJSA-N	-1	2	342.373	1.454	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)NC2CCC(C(=O)[O-])CC2)cc1C#N	ZINC000738196450	579170610	/nfs/dbraw/zinc/17/06/10/579170610.db2.gz	QOFQSGFITIVMPI-UHFFFAOYSA-N	-1	2	335.385	1.754	20	30		EDEDLM
N#CC(C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063356	594795372	/nfs/dbraw/zinc/79/53/72/594795372.db2.gz	IVKYLTOVQPFZQD-ZYHUDNBSSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#C[C@H](C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063356	594795373	/nfs/dbraw/zinc/79/53/73/594795373.db2.gz	IVKYLTOVQPFZQD-ZYHUDNBSSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#C[C@@H](C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccccn1	ZINC000740303934	579328739	/nfs/dbraw/zinc/32/87/39/579328739.db2.gz	NQXKNKUFZOWTQB-GFCCVEGCSA-N	-1	2	340.343	1.478	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1C#N	ZINC000740021529	579281451	/nfs/dbraw/zinc/28/14/51/579281451.db2.gz	LOSUDXMQCCEUBB-JTQLQIEISA-N	-1	2	336.373	1.157	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)C(=O)[O-])cc2[nH]c1=S	ZINC000769564342	580240240	/nfs/dbraw/zinc/24/02/40/580240240.db2.gz	WVMKYSSVKBZLGJ-LLVKDONJSA-N	-1	2	347.396	1.464	20	30		EDEDLM
CC[C@@H](NN=Cc1ccc(C=[NH+]N[C@H](CC)C(=O)[O-])cc1)C(=O)[O-]	ZINC000793059187	580834987	/nfs/dbraw/zinc/83/49/87/580834987.db2.gz	ZJRQOVABTKOKGC-ZIAGYGMSSA-N	-1	2	334.376	1.260	20	30		EDEDLM
COc1cccc(S([O-])=CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1	ZINC000820318758	593809266	/nfs/dbraw/zinc/80/92/66/593809266.db2.gz	DJMXOQKSJKSCQG-YEBMWUKDSA-N	-1	2	345.380	1.128	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772879	594243692	/nfs/dbraw/zinc/24/36/92/594243692.db2.gz	SDNHAXLSRCIRJY-LLYBFZRZSA-N	-1	2	341.319	1.955	20	30		EDEDLM
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C(=O)[O-])no1	ZINC000833736269	594918804	/nfs/dbraw/zinc/91/88/04/594918804.db2.gz	CRRHNRLMPNXOPP-MRVPVSSYSA-N	-1	2	329.268	1.343	20	30		EDEDLM
C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2	ZINC000819697313	593764030	/nfs/dbraw/zinc/76/40/30/593764030.db2.gz	AEVGISUUQMMUQD-JTQLQIEISA-N	-1	2	344.444	1.699	20	30		EDEDLM
C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2	ZINC000819697313	593764031	/nfs/dbraw/zinc/76/40/31/593764031.db2.gz	AEVGISUUQMMUQD-JTQLQIEISA-N	-1	2	344.444	1.699	20	30		EDEDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607695	593843466	/nfs/dbraw/zinc/84/34/66/593843466.db2.gz	QLOOMAPDKJGFMG-AWEZNQCLSA-N	-1	2	334.357	1.360	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(CCC#N)n1	ZINC000738463828	600629686	/nfs/dbraw/zinc/62/96/86/600629686.db2.gz	WNLKMVLYIHMSIP-UHFFFAOYSA-N	-1	2	348.384	1.533	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)NCC2(C(=O)[O-])CCCC2)cc1C#N	ZINC000832770995	594775510	/nfs/dbraw/zinc/77/55/10/594775510.db2.gz	SUIUHMULOUZCJU-UHFFFAOYSA-N	-1	2	335.385	1.756	20	30		EDEDLM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2ccccc2o1	ZINC000833960377	594975137	/nfs/dbraw/zinc/97/51/37/594975137.db2.gz	IQARYLJMAYQLLM-LLVKDONJSA-N	-1	2	329.312	1.773	20	30		EDEDLM
N#C[C@H](C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2ccccc2o1	ZINC000833960377	594975140	/nfs/dbraw/zinc/97/51/40/594975140.db2.gz	IQARYLJMAYQLLM-LLVKDONJSA-N	-1	2	329.312	1.773	20	30		EDEDLM
C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852757056	595528972	/nfs/dbraw/zinc/52/89/72/595528972.db2.gz	IGJCIWQXKKCUMJ-MFKMUULPSA-N	-1	2	326.322	1.842	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1	ZINC000751146373	579795333	/nfs/dbraw/zinc/79/53/33/579795333.db2.gz	RDQFSTSGPQKUMF-UHFFFAOYSA-N	-1	2	342.283	1.184	20	30		EDEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000831031508	594541462	/nfs/dbraw/zinc/54/14/62/594541462.db2.gz	RAPHLTKYHNBFMK-LBPRGKRZSA-N	-1	2	326.312	1.644	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)cc1C#N	ZINC000740021507	578493988	/nfs/dbraw/zinc/49/39/88/578493988.db2.gz	LMCKLFSEANBULX-MRVPVSSYSA-N	-1	2	336.373	1.205	20	30		EDEDLM
Cc1cc([C@H](C#N)C(=O)c2csc(CNC(=O)[O-])n2)nc(C)n1	ZINC000740061680	579285746	/nfs/dbraw/zinc/28/57/46/579285746.db2.gz	YPTPRMWAPBDIRT-VIFPVBQESA-N	-1	2	331.357	1.808	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1	ZINC000747406272	579641996	/nfs/dbraw/zinc/64/19/96/579641996.db2.gz	BJWDAHRSRXEFOV-UHFFFAOYSA-N	-1	2	346.368	1.394	20	30		EDEDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000323208844	444342303	/nfs/dbraw/zinc/34/23/03/444342303.db2.gz	VXFJKXLPXUBNLE-UHFFFAOYSA-N	-1	2	333.325	1.461	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1C#N	ZINC000351567586	446164630	/nfs/dbraw/zinc/16/46/30/446164630.db2.gz	KQAVMASTACKUKN-UHFFFAOYSA-N	-1	2	334.445	1.795	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683367	579606591	/nfs/dbraw/zinc/60/65/91/579606591.db2.gz	JRHRUDNGEZQULB-OSJSJHBBSA-N	-1	2	344.319	1.768	20	30		EDEDLM
Cc1nnc(NN=Cc2cn(CC(=O)[O-])c3ccccc23)[nH]c1=O	ZINC000799869621	581038291	/nfs/dbraw/zinc/03/82/91/581038291.db2.gz	YFOQDKCONURYBF-UHFFFAOYSA-N	-1	2	326.316	1.371	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])[nH]1	ZINC000832898481	594783870	/nfs/dbraw/zinc/78/38/70/594783870.db2.gz	MFXAKLBXGQHFOM-UHFFFAOYSA-N	-1	2	341.295	1.972	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc2[nH]c1=S	ZINC000269093039	249377119	/nfs/dbraw/zinc/37/71/19/249377119.db2.gz	WNBIDLLGKVXICI-SECBINFHSA-N	-1	2	347.396	1.416	20	30		EDEDLM
C#CCOc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1	ZINC000825631324	594209374	/nfs/dbraw/zinc/20/93/74/594209374.db2.gz	BIHQJOWFPHHGAY-UHFFFAOYSA-N	-1	2	338.366	1.654	20	30		EDEDLM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000517337778	448573366	/nfs/dbraw/zinc/57/33/66/448573366.db2.gz	PMFRDMBYHPQJDW-LBPRGKRZSA-N	-1	2	343.430	1.171	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[nH]c1=S	ZINC000738503461	578549008	/nfs/dbraw/zinc/54/90/08/578549008.db2.gz	QYSUUCLAOMWZRF-MRVPVSSYSA-N	-1	2	333.369	1.074	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1C#N	ZINC000738195498	579170291	/nfs/dbraw/zinc/17/02/91/579170291.db2.gz	KJAUQABDAYUSBE-LLVKDONJSA-N	-1	2	347.396	1.708	20	30		EDEDLM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC#N)c1	ZINC000747407702	579642113	/nfs/dbraw/zinc/64/21/13/579642113.db2.gz	SYUGEPBDVLLYKV-UHFFFAOYSA-N	-1	2	334.357	1.468	20	30		EDEDLM
O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277151	593493976	/nfs/dbraw/zinc/49/39/76/593493976.db2.gz	SGBCLLLTAUEQDP-BQBZGAKWSA-N	-1	2	338.223	1.804	20	30		EDEDLM
O=C([N-]C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277151	593493977	/nfs/dbraw/zinc/49/39/77/593493977.db2.gz	SGBCLLLTAUEQDP-BQBZGAKWSA-N	-1	2	338.223	1.804	20	30		EDEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)[O-])C3)nc1-2	ZINC000830611236	594437776	/nfs/dbraw/zinc/43/77/76/594437776.db2.gz	HHMQULQKATWTIY-WDEREUQCSA-N	-1	2	327.344	1.833	20	30		EDEDLM
CNC(=O)C(C#N)=C(O)c1ccc2c(ccn2CCCNC(=O)[O-])c1	ZINC000828520697	594444017	/nfs/dbraw/zinc/44/40/17/594444017.db2.gz	NNPQOLKLUSXYLT-CYBMUJFWSA-N	-1	2	342.355	1.367	20	30		EDEDLM
O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc2c(c1)OCO2	ZINC000329459281	444588312	/nfs/dbraw/zinc/58/83/12/444588312.db2.gz	RPJNMGLGEHXYDA-JTQLQIEISA-N	-1	2	332.316	1.080	20	30		EDEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000391243985	447512385	/nfs/dbraw/zinc/51/23/85/447512385.db2.gz	JZGXMYFECDCGQW-UHFFFAOYSA-N	-1	2	336.325	1.967	20	30		EDEDLM
C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736816686	579023620	/nfs/dbraw/zinc/02/36/20/579023620.db2.gz	NKYTWYBZJZSQMQ-INIZCTEOSA-N	-1	2	347.382	1.397	20	30		EDEDLM
N#C[C@H](C(=O)C1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961696	594975697	/nfs/dbraw/zinc/97/56/97/594975697.db2.gz	UHDYTRXILZNJLO-LLVKDONJSA-N	-1	2	328.353	1.991	20	30		EDEDLM
N#CC(C(=O)C1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961696	594975699	/nfs/dbraw/zinc/97/56/99/594975699.db2.gz	UHDYTRXILZNJLO-LLVKDONJSA-N	-1	2	328.353	1.991	20	30		EDEDLM
C=C(Cl)C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)C(=O)OCC	ZINC000867588931	596448595	/nfs/dbraw/zinc/44/85/95/596448595.db2.gz	JTJVTAAIYBZSIJ-NSHDSACASA-N	-1	2	338.857	1.074	20	30		EDEDLM
N#CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000436894312	446739314	/nfs/dbraw/zinc/73/93/14/446739314.db2.gz	QMXZECVIXVZNAP-UHFFFAOYSA-N	-1	2	332.337	1.957	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)NCCSCCC(=O)[O-])cc1C#N	ZINC000738197013	579170684	/nfs/dbraw/zinc/17/06/84/579170684.db2.gz	WILSHCYSNKGCKS-UHFFFAOYSA-N	-1	2	341.414	1.318	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000489737624	447872004	/nfs/dbraw/zinc/87/20/04/447872004.db2.gz	BBOVNYUKZKFRAT-UHFFFAOYSA-N	-1	2	338.320	1.435	20	30		EDEDLM
Cn1ncc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C(=O)[O-]	ZINC000593209534	449170951	/nfs/dbraw/zinc/17/09/51/449170951.db2.gz	AXHBVKUWCSOFJS-UHFFFAOYSA-N	-1	2	348.384	1.720	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCN2C(=O)[O-])cc1C#N	ZINC000740020883	579281447	/nfs/dbraw/zinc/28/14/47/579281447.db2.gz	HYDFUKQTRASNEF-SECBINFHSA-N	-1	2	336.373	1.253	20	30		EDEDLM
N#C[C@@H](C(=O)c1ccc(CNC(=O)[O-])o1)c1nnc2n1CCCCC2	ZINC000831064629	594547272	/nfs/dbraw/zinc/54/72/72/594547272.db2.gz	KLRXDIXDLQGRNN-NSHDSACASA-N	-1	2	343.343	1.855	20	30		EDEDLM
O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc2c(c1)OCO2	ZINC000329459283	444588254	/nfs/dbraw/zinc/58/82/54/444588254.db2.gz	RPJNMGLGEHXYDA-SNVBAGLBSA-N	-1	2	332.316	1.080	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000344332719	444903273	/nfs/dbraw/zinc/90/32/73/444903273.db2.gz	ZHKHLNZFRUVTRG-UHFFFAOYSA-N	-1	2	326.359	1.357	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1C#N	ZINC000738197115	578619165	/nfs/dbraw/zinc/61/91/65/578619165.db2.gz	YKKDDFUWFROJQJ-VIFPVBQESA-N	-1	2	336.373	1.253	20	30		EDEDLM
C=C1[C@H](C(=O)[N-]OCC(F)(F)F)[C@H]1C(=O)NOCC(F)(F)F	ZINC000901111368	592235083	/nfs/dbraw/zinc/23/50/83/592235083.db2.gz	OVFKNOMDRBZVBW-WDSKDSINSA-N	-1	2	336.188	1.009	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])nn1CCC#N	ZINC000833747475	594920937	/nfs/dbraw/zinc/92/09/37/594920937.db2.gz	ZISJPMYFWJDPOX-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](C)NC(=O)C(F)(F)C(F)F	ZINC000834376951	595105927	/nfs/dbraw/zinc/10/59/27/595105927.db2.gz	YNMQPBLIWMPKAQ-QWWZWVQMSA-N	-1	2	344.202	1.797	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1	ZINC000265538921	442815357	/nfs/dbraw/zinc/81/53/57/442815357.db2.gz	GYWSWWVTORZHFA-UHFFFAOYSA-N	-1	2	348.384	1.615	20	30		EDEDLM
Cc1cc[nH]c2nc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)[O-])C3)nc1-2	ZINC000830611231	594437707	/nfs/dbraw/zinc/43/77/07/594437707.db2.gz	HHMQULQKATWTIY-MNOVXSKESA-N	-1	2	327.344	1.833	20	30		EDEDLM
C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833402668	594841385	/nfs/dbraw/zinc/84/13/85/594841385.db2.gz	RXDABEFZWMHKKB-SNVBAGLBSA-N	-1	2	347.352	1.871	20	30		EDEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000348452164	445295507	/nfs/dbraw/zinc/29/55/07/445295507.db2.gz	UAUZKQUNKGDUFJ-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000361645358	445862493	/nfs/dbraw/zinc/86/24/93/445862493.db2.gz	QISHLWBJKZLAJP-UHFFFAOYSA-N	-1	2	348.336	1.771	20	30		EDEDLM
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C[C@H]3CN(C(=O)[O-])CCO3)nc21	ZINC000830610728	594437794	/nfs/dbraw/zinc/43/77/94/594437794.db2.gz	ABRFRNRZNKVNMA-QWRGUYRKSA-N	-1	2	343.343	1.212	20	30		EDEDLM
Cc1cc[nH]c2nc([C@@H](C#N)C(=O)C[C@H]3CN(C(=O)[O-])CCO3)nc1-2	ZINC000830610728	594437797	/nfs/dbraw/zinc/43/77/97/594437797.db2.gz	ABRFRNRZNKVNMA-QWRGUYRKSA-N	-1	2	343.343	1.212	20	30		EDEDLM
CC[N@@H+](CCC#N)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1	ZINC000736535568	578996721	/nfs/dbraw/zinc/99/67/21/578996721.db2.gz	VPNUOJJEPOZKKY-UHFFFAOYSA-N	-1	2	337.391	1.627	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-])n1	ZINC000739481848	579211323	/nfs/dbraw/zinc/21/13/23/579211323.db2.gz	FBCVVXGCZICQSO-QMMMGPOBSA-N	-1	2	339.373	1.932	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)CC(C)(C)NC(=O)[O-])n1	ZINC000739481848	579211324	/nfs/dbraw/zinc/21/13/24/579211324.db2.gz	FBCVVXGCZICQSO-QMMMGPOBSA-N	-1	2	339.373	1.932	20	30		EDEDLM
COCCCNC(=O)C(C#N)=C(O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000828949997	594536481	/nfs/dbraw/zinc/53/64/81/594536481.db2.gz	BLPSZTWSKJKLRM-GFCCVEGCSA-N	-1	2	333.344	1.560	20	30		EDEDLM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860470382	595696447	/nfs/dbraw/zinc/69/64/47/595696447.db2.gz	ORSGXKIZVWEKRS-VIFPVBQESA-N	-1	2	343.261	1.083	20	30		EDEDLM
N#Cc1nc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)[nH]c1C#N	ZINC000740323283	579331512	/nfs/dbraw/zinc/33/15/12/579331512.db2.gz	IFHYNKYXGHKPGJ-LLVKDONJSA-N	-1	2	338.327	1.881	20	30		EDEDLM
Cc1nnc(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)[nH]c1=O	ZINC000730726711	578656069	/nfs/dbraw/zinc/65/60/69/578656069.db2.gz	CJHAWXMNHPSZMW-UHFFFAOYSA-N	-1	2	339.258	1.388	20	30		EDEDLM
C#CCC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000819697423	593763992	/nfs/dbraw/zinc/76/39/92/593763992.db2.gz	DYAQHORMYPZFIK-UHFFFAOYSA-N	-1	2	339.359	1.260	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)C(C)(C)CNC(=O)[O-])n1	ZINC000827356008	594664051	/nfs/dbraw/zinc/66/40/51/594664051.db2.gz	NFLONLRGYWYPBB-QMMMGPOBSA-N	-1	2	339.373	1.790	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)C(C)(C)CNC(=O)[O-])n1	ZINC000827356008	594664052	/nfs/dbraw/zinc/66/40/52/594664052.db2.gz	NFLONLRGYWYPBB-QMMMGPOBSA-N	-1	2	339.373	1.790	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063668	594795351	/nfs/dbraw/zinc/79/53/51/594795351.db2.gz	KWUARGKIALLHQR-HWPZZCPQSA-N	-1	2	347.371	1.971	20	30		EDEDLM
N#C[C@H](C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063668	594795352	/nfs/dbraw/zinc/79/53/52/594795352.db2.gz	KWUARGKIALLHQR-HWPZZCPQSA-N	-1	2	347.371	1.971	20	30		EDEDLM
N#CCc1ccnc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1	ZINC000833069416	594795645	/nfs/dbraw/zinc/79/56/45/594795645.db2.gz	XHVVJEDOFQHWTR-UHFFFAOYSA-N	-1	2	335.316	1.786	20	30		EDEDLM
C[C@@H](NC(=O)C(F)(F)C(F)F)[C@H](C)[N-]C(=O)C(F)(F)C(F)F	ZINC000834376952	595105916	/nfs/dbraw/zinc/10/59/16/595105916.db2.gz	YNMQPBLIWMPKAQ-ZXZARUISSA-N	-1	2	344.202	1.797	20	30		EDEDLM
C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@H](C)NC(=O)C(F)(F)C(F)F	ZINC000834376952	595105918	/nfs/dbraw/zinc/10/59/18/595105918.db2.gz	YNMQPBLIWMPKAQ-ZXZARUISSA-N	-1	2	344.202	1.797	20	30		EDEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000350731294	445890887	/nfs/dbraw/zinc/89/08/87/445890887.db2.gz	ZYMDOMXJJQDYCN-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
Cc1cc([C@@H](C#N)C(=O)c2csc(CNC(=O)[O-])n2)nc(C)n1	ZINC000740061679	579285743	/nfs/dbraw/zinc/28/57/43/579285743.db2.gz	YPTPRMWAPBDIRT-SECBINFHSA-N	-1	2	331.357	1.808	20	30		EDEDLM
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833377443	594836925	/nfs/dbraw/zinc/83/69/25/594836925.db2.gz	XEPNYNKHHRTSPY-QMMMGPOBSA-N	-1	2	339.398	1.549	20	30		EDEDLM
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833377443	594836926	/nfs/dbraw/zinc/83/69/26/594836926.db2.gz	XEPNYNKHHRTSPY-QMMMGPOBSA-N	-1	2	339.398	1.549	20	30		EDEDLM
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C(=O)[O-])no1	ZINC000833736270	594918756	/nfs/dbraw/zinc/91/87/56/594918756.db2.gz	CRRHNRLMPNXOPP-QMMMGPOBSA-N	-1	2	329.268	1.343	20	30		EDEDLM
Cn1ncc2c1nc(N=NC1CCCCC[C@@H]1NC(=O)[O-])[nH]c2=O	ZINC000833962581	594976141	/nfs/dbraw/zinc/97/61/41/594976141.db2.gz	YNCVGPPNPRROQS-VIFPVBQESA-N	-1	2	333.352	1.437	20	30		EDEDLM
Cc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1C(=O)[O-]	ZINC000344368800	444923582	/nfs/dbraw/zinc/92/35/82/444923582.db2.gz	YCUAPEQYKLTFAM-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000433519061	446585655	/nfs/dbraw/zinc/58/56/55/446585655.db2.gz	SLESFUQZECBANH-UHFFFAOYSA-N	-1	2	348.336	1.771	20	30		EDEDLM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692045	596322937	/nfs/dbraw/zinc/32/29/37/596322937.db2.gz	WFLZQCGOBWXMMD-NSHDSACASA-N	-1	2	329.278	1.671	20	30		EDEDLM
N#CC(C(=O)CCNC(=O)[O-])c1nc(N)nc(Nc2ccccc2)n1	ZINC000739073442	599798024	/nfs/dbraw/zinc/79/80/24/599798024.db2.gz	CHZWJUBEMDVQDG-SNVBAGLBSA-N	-1	2	341.331	1.031	20	30		EDEDLM
N#C[C@H](C(=O)CCNC(=O)[O-])c1nc(N)nc(Nc2ccccc2)n1	ZINC000739073442	599798026	/nfs/dbraw/zinc/79/80/26/599798026.db2.gz	CHZWJUBEMDVQDG-SNVBAGLBSA-N	-1	2	341.331	1.031	20	30		EDEDLM
CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000188628815	442774569	/nfs/dbraw/zinc/77/45/69/442774569.db2.gz	LLTTZODADVJVSX-CQSZACIVSA-N	-1	2	330.432	1.267	20	30		EDEDLM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccn(CCC#N)n2)c1C	ZINC000265591306	442836729	/nfs/dbraw/zinc/83/67/29/442836729.db2.gz	RXNPSNNHHLJNDT-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)CC2(C#N)CC2)c1OC	ZINC000275068639	443620396	/nfs/dbraw/zinc/62/03/96/443620396.db2.gz	WCVWVZUPZAPKCQ-UHFFFAOYSA-N	-1	2	340.357	1.447	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](NC(=O)[O-])C(C)C)n1	ZINC000737154908	579052282	/nfs/dbraw/zinc/05/22/82/579052282.db2.gz	NKGJGGPGFJKUCO-PSASIEDQSA-N	-1	2	339.373	1.788	20	30		EDEDLM
C=C1[C@H](C(=O)NOCC(F)(F)F)[C@@H]1C(=O)[N-]OCC(F)(F)F	ZINC000901111366	592234917	/nfs/dbraw/zinc/23/49/17/592234917.db2.gz	OVFKNOMDRBZVBW-OLQVQODUSA-N	-1	2	336.188	1.009	20	30		EDEDLM
C=C1[C@H](C(=O)[N-]OCC(F)(F)F)[C@@H]1C(=O)NOCC(F)(F)F	ZINC000901111366	592234920	/nfs/dbraw/zinc/23/49/20/592234920.db2.gz	OVFKNOMDRBZVBW-OLQVQODUSA-N	-1	2	336.188	1.009	20	30		EDEDLM
N#Cc1ccccc1OCc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)o1	ZINC000816731299	593544588	/nfs/dbraw/zinc/54/45/88/593544588.db2.gz	LDNUYKYCBKWWIS-UHFFFAOYSA-N	-1	2	341.283	1.117	20	30		EDEDLM
Cc1sc(NC(=O)C[NH+]2CCC(C#N)CC2)c(-c2nn[nH]n2)c1C	ZINC000822556509	594066767	/nfs/dbraw/zinc/06/67/67/594066767.db2.gz	CKLSKZWQFZDQFA-UHFFFAOYSA-N	-1	2	345.432	1.719	20	30		EDEDLM
N#C[C@@H](C(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc2ccccc2n1	ZINC000831064534	594547292	/nfs/dbraw/zinc/54/72/92/594547292.db2.gz	IFNPUWSELHXCED-DOMZBBRYSA-N	-1	2	325.324	1.790	20	30		EDEDLM
N#CC(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc2ccccc2n1	ZINC000831064534	594547294	/nfs/dbraw/zinc/54/72/94/594547294.db2.gz	IFNPUWSELHXCED-DOMZBBRYSA-N	-1	2	325.324	1.790	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1	ZINC000739075429	600392886	/nfs/dbraw/zinc/39/28/86/600392886.db2.gz	FRWQMOXIKVUMNV-UHFFFAOYSA-N	-1	2	336.329	1.001	20	30		EDEDLM
N#Cc1cccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1	ZINC000833075728	604625446	/nfs/dbraw/zinc/62/54/46/604625446.db2.gz	VOWILIOPDPEAAO-UHFFFAOYSA-N	-1	2	337.382	1.833	20	30		EDEDLM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1CCc2ccccc2C1	ZINC000286624712	443718935	/nfs/dbraw/zinc/71/89/35/443718935.db2.gz	MTMPKOXQKUGTLG-ZDUSSCGKSA-N	-1	2	345.424	1.876	20	30		EDEDLM
Cc1ccc2c(C)cc(=N/N=C3/C(=O)[N-]C(=O)NC3=O)[nH]c2c1C	ZINC000814216636	593578928	/nfs/dbraw/zinc/57/89/28/593578928.db2.gz	VHGICZMISUMMQT-UHFFFAOYSA-N	-1	2	325.328	1.294	20	30		EDEDLM
Cc1ccc2c(C)cc(=N/N=C3\C(=O)[N-]C(=O)NC3=O)[nH]c2c1C	ZINC000814216636	593578929	/nfs/dbraw/zinc/57/89/29/593578929.db2.gz	VHGICZMISUMMQT-UHFFFAOYSA-N	-1	2	325.328	1.294	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063677	594795336	/nfs/dbraw/zinc/79/53/36/594795336.db2.gz	KWUARGKIALLHQR-MGPLVRAMSA-N	-1	2	347.371	1.971	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CC[C@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063677	594795337	/nfs/dbraw/zinc/79/53/37/594795337.db2.gz	KWUARGKIALLHQR-MGPLVRAMSA-N	-1	2	347.371	1.971	20	30		EDEDLM
CCOC(=O)C(C)(C)O[N-]C(=O)c1cc(C#N)c(SC)[nH]c1=O	ZINC000855132394	595605724	/nfs/dbraw/zinc/60/57/24/595605724.db2.gz	KWPSCXPFGPUYNO-UHFFFAOYSA-N	-1	2	339.373	1.384	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1CCC#N	ZINC000271062631	443488690	/nfs/dbraw/zinc/48/86/90/443488690.db2.gz	LPMWCZITGPIRAV-UHFFFAOYSA-N	-1	2	348.384	1.533	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000329483852	444598435	/nfs/dbraw/zinc/59/84/35/444598435.db2.gz	SCBJJZFKQWGTCM-MWLCHTKSSA-N	-1	2	332.429	1.736	20	30		EDEDLM
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1	ZINC000751213467	579797575	/nfs/dbraw/zinc/79/75/75/579797575.db2.gz	WCVGTXFUOAZPAQ-UHFFFAOYSA-N	-1	2	347.348	1.903	20	30		EDEDLM
C=CCOc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000825702302	594228924	/nfs/dbraw/zinc/22/89/24/594228924.db2.gz	ISGRXTRFWNSCEY-UHFFFAOYSA-N	-1	2	337.357	1.333	20	30		EDEDLM
COc1ccc(C=NNc2ccc(C(=O)[O-])cn2)cc1-c1nn[nH]n1	ZINC000826190497	594369879	/nfs/dbraw/zinc/36/98/79/594369879.db2.gz	CYRWVJVQPHNLDH-UHFFFAOYSA-N	-1	2	339.315	1.415	20	30		EDEDLM
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])c(F)c1	ZINC000275377656	268333052	/nfs/dbraw/zinc/33/30/52/268333052.db2.gz	ZIQJBMHLPGFYGR-QMMMGPOBSA-N	-1	2	340.254	1.223	20	30		EDEDLM
N#CC(C(=O)CCNC(=O)[O-])c1nc(N)nc(Nc2ccccc2)n1	ZINC000739073439	599797815	/nfs/dbraw/zinc/79/78/15/599797815.db2.gz	CHZWJUBEMDVQDG-JTQLQIEISA-N	-1	2	341.331	1.031	20	30		EDEDLM
N#C[C@@H](C(=O)CCNC(=O)[O-])c1nc(N)nc(Nc2ccccc2)n1	ZINC000739073439	599797818	/nfs/dbraw/zinc/79/78/18/599797818.db2.gz	CHZWJUBEMDVQDG-JTQLQIEISA-N	-1	2	341.331	1.031	20	30		EDEDLM
N#Cc1nc(NC(=O)c2cccc(Br)c2[O-])[nH]c1C#N	ZINC000609316895	450004451	/nfs/dbraw/zinc/00/44/51/450004451.db2.gz	VQEYCIHHEHKRQS-UHFFFAOYSA-N	-1	2	332.117	1.873	20	30		EDEDLM
N#CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC000822811294	594104445	/nfs/dbraw/zinc/10/44/45/594104445.db2.gz	USKFCXSPCDMOJT-UHFFFAOYSA-N	-1	2	339.403	1.963	20	30		EDEDLM
N#CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC000822811294	594104447	/nfs/dbraw/zinc/10/44/47/594104447.db2.gz	USKFCXSPCDMOJT-UHFFFAOYSA-N	-1	2	339.403	1.963	20	30		EDEDLM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](F)C(F)(F)F	ZINC000848339648	595364394	/nfs/dbraw/zinc/36/43/94/595364394.db2.gz	ADDDJWLHGQCATO-FSDSQADBSA-N	-1	2	338.223	1.945	20	30		EDEDLM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(F)C(F)(F)F	ZINC000848339648	595364396	/nfs/dbraw/zinc/36/43/96/595364396.db2.gz	ADDDJWLHGQCATO-FSDSQADBSA-N	-1	2	338.223	1.945	20	30		EDEDLM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860473137	595698127	/nfs/dbraw/zinc/69/81/27/595698127.db2.gz	IRYIHCXUQXROLD-SECBINFHSA-N	-1	2	345.277	1.305	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)CN(CC)C(=O)[O-])n1	ZINC000739481942	579211335	/nfs/dbraw/zinc/21/13/35/579211335.db2.gz	FXXNBTYLBOSUKB-QMMMGPOBSA-N	-1	2	325.346	1.496	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)CN(CC)C(=O)[O-])n1	ZINC000739481942	579211336	/nfs/dbraw/zinc/21/13/36/579211336.db2.gz	FXXNBTYLBOSUKB-QMMMGPOBSA-N	-1	2	325.346	1.496	20	30		EDEDLM
N#C[C@H](C(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc2ccccc2n1	ZINC000831064537	594547446	/nfs/dbraw/zinc/54/74/46/594547446.db2.gz	IFNPUWSELHXCED-WFASDCNBSA-N	-1	2	325.324	1.790	20	30		EDEDLM
N#CC(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccc2ccccc2n1	ZINC000831064537	594547449	/nfs/dbraw/zinc/54/74/49/594547449.db2.gz	IFNPUWSELHXCED-WFASDCNBSA-N	-1	2	325.324	1.790	20	30		EDEDLM
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC#N)CC(=O)[O-])=N1	ZINC000832889748	594783223	/nfs/dbraw/zinc/78/32/23/594783223.db2.gz	NVPHPEHHIPJXPN-UHFFFAOYSA-N	-1	2	332.291	1.076	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1CCC#N	ZINC000348882591	445428405	/nfs/dbraw/zinc/42/84/05/445428405.db2.gz	LRHIEPIOZHKUHC-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277152	593493889	/nfs/dbraw/zinc/49/38/89/593493889.db2.gz	SGBCLLLTAUEQDP-NKWVEPMBSA-N	-1	2	338.223	1.804	20	30		EDEDLM
O=C([N-]C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277152	593493890	/nfs/dbraw/zinc/49/38/90/593493890.db2.gz	SGBCLLLTAUEQDP-NKWVEPMBSA-N	-1	2	338.223	1.804	20	30		EDEDLM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccccc2o1	ZINC000831064772	594547537	/nfs/dbraw/zinc/54/75/37/594547537.db2.gz	MWDUWEUGGAHHLI-WDEREUQCSA-N	-1	2	329.312	1.773	20	30		EDEDLM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000265525078	442809731	/nfs/dbraw/zinc/80/97/31/442809731.db2.gz	DERYQBCCGLNQFY-UHFFFAOYSA-N	-1	2	348.384	1.858	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)s1	ZINC000435480892	446698895	/nfs/dbraw/zinc/69/88/95/446698895.db2.gz	BVDRYTNDDAGJIE-UHFFFAOYSA-N	-1	2	348.409	1.950	20	30		EDEDLM
COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000739923863	579268554	/nfs/dbraw/zinc/26/85/54/579268554.db2.gz	MOKWVBMGFUWOKK-UHFFFAOYSA-N	-1	2	348.340	1.853	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063679	594795400	/nfs/dbraw/zinc/79/54/00/594795400.db2.gz	KWUARGKIALLHQR-QFYYESIMSA-N	-1	2	347.371	1.971	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CC[C@@](F)(C(=O)[O-])C1)c1nc2ccccc2s1	ZINC000833063679	594795401	/nfs/dbraw/zinc/79/54/01/594795401.db2.gz	KWUARGKIALLHQR-QFYYESIMSA-N	-1	2	347.371	1.971	20	30		EDEDLM
C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000856416586	595984564	/nfs/dbraw/zinc/98/45/64/595984564.db2.gz	RTECGXYXFFUTCZ-VQVTYTSYSA-N	-1	2	338.223	1.802	20	30		EDEDLM
C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000856416586	595984566	/nfs/dbraw/zinc/98/45/66/595984566.db2.gz	RTECGXYXFFUTCZ-VQVTYTSYSA-N	-1	2	338.223	1.802	20	30		EDEDLM
N#CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000436531717	446733610	/nfs/dbraw/zinc/73/36/10/446733610.db2.gz	WIFFAOKOAHHWNX-UHFFFAOYSA-N	-1	2	332.337	1.957	20	30		EDEDLM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC#N)c2)c1C	ZINC000747407270	579641937	/nfs/dbraw/zinc/64/19/37/579641937.db2.gz	PNGAHBDLZWEWMX-UHFFFAOYSA-N	-1	2	334.357	1.523	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](CC)NC(=O)[O-])n1	ZINC000827354881	594663993	/nfs/dbraw/zinc/66/39/93/594663993.db2.gz	DXXFHWUPNCOYKO-YUMQZZPRSA-N	-1	2	325.346	1.542	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N(C)CCC(=O)[O-])cc2[nH]c1=S	ZINC000269080342	249376740	/nfs/dbraw/zinc/37/67/40/249376740.db2.gz	FMWQMXOGNHTMHM-UHFFFAOYSA-N	-1	2	347.396	1.418	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000329483851	444598086	/nfs/dbraw/zinc/59/80/86/444598086.db2.gz	SCBJJZFKQWGTCM-KOLCDFICSA-N	-1	2	332.429	1.736	20	30		EDEDLM
CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1	ZINC000360736979	445728796	/nfs/dbraw/zinc/72/87/96/445728796.db2.gz	LIVDWEGXAUUESM-MRXNPFEDSA-N	-1	2	338.415	1.342	20	30		EDEDLM
CC[C@H](C#N)S(=O)(=O)Nc1c(OC)cc(OC)cc1C(=O)[O-]	ZINC000524676571	447939811	/nfs/dbraw/zinc/93/98/11/447939811.db2.gz	FMQQZRINMKHLIA-SECBINFHSA-N	-1	2	328.346	1.446	20	30		EDEDLM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000517337777	448573027	/nfs/dbraw/zinc/57/30/27/448573027.db2.gz	PMFRDMBYHPQJDW-GFCCVEGCSA-N	-1	2	343.430	1.171	20	30		EDEDLM
N#Cc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548553312	449057168	/nfs/dbraw/zinc/05/71/68/449057168.db2.gz	WMLODIMXUBZKDY-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC#N)c1	ZINC000751276581	579800040	/nfs/dbraw/zinc/80/00/40/579800040.db2.gz	UDRBLKRLBJDQCA-UHFFFAOYSA-N	-1	2	338.320	1.353	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cc1C#N	ZINC000829752847	594255351	/nfs/dbraw/zinc/25/53/51/594255351.db2.gz	AROOBCWKRGAYOG-VIFPVBQESA-N	-1	2	336.373	1.205	20	30		EDEDLM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc(C)c1OCC(=O)[O-]	ZINC000832867493	594782105	/nfs/dbraw/zinc/78/21/05/594782105.db2.gz	WYXPVHDNCBZMAW-UHFFFAOYSA-N	-1	2	339.311	1.486	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(CCC#N)n1	ZINC000832899581	594783899	/nfs/dbraw/zinc/78/38/99/594783899.db2.gz	NZOZVETYZMTRAH-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833059148	594795118	/nfs/dbraw/zinc/79/51/18/594795118.db2.gz	RPFDRRDLZSCHPC-CYBMUJFWSA-N	-1	2	325.324	1.643	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])nn1CCC#N	ZINC000833747472	594920767	/nfs/dbraw/zinc/92/07/67/594920767.db2.gz	ZFPJTQIWEHNMBH-UHFFFAOYSA-N	-1	2	340.386	1.666	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C#N	ZINC000818658798	593710837	/nfs/dbraw/zinc/71/08/37/593710837.db2.gz	OQXZSUCJWUVEEF-SECBINFHSA-N	-1	2	335.385	1.708	20	30		EDEDLM
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CCN(C(=O)[O-])CC1	ZINC000824711589	594060377	/nfs/dbraw/zinc/06/03/77/594060377.db2.gz	ZKWPRVMTYMWTIR-SECBINFHSA-N	-1	2	330.348	1.508	20	30		EDEDLM
CCn1cc(S(=O)(=O)Nc2ccc(C#N)cc2OC)cc1C(=O)[O-]	ZINC000325668156	303769669	/nfs/dbraw/zinc/76/96/69/303769669.db2.gz	LLVUSJCQBBGCPU-UHFFFAOYSA-N	-1	2	349.368	1.887	20	30		EDEDLM
CC[N@H+]1CCO[C@@H](CNS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccccc1	ZINC000416480678	447618058	/nfs/dbraw/zinc/61/80/58/447618058.db2.gz	SGACIZSGYVVKOF-KBMXLJTQSA-N	-1	2	337.445	1.280	20	30		EDEDLM
COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000545999497	448814344	/nfs/dbraw/zinc/81/43/44/448814344.db2.gz	QYWSFORXTPQYSR-UHFFFAOYSA-N	-1	2	348.336	1.771	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1	ZINC000747406792	579641904	/nfs/dbraw/zinc/64/19/04/579641904.db2.gz	LOPUBKXZWJDNKN-UHFFFAOYSA-N	-1	2	340.748	1.559	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303834	579328720	/nfs/dbraw/zinc/32/87/20/579328720.db2.gz	MSEWNOKJHYGYMT-QWRGUYRKSA-N	-1	2	344.396	1.814	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CC[C@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303834	579328721	/nfs/dbraw/zinc/32/87/21/579328721.db2.gz	MSEWNOKJHYGYMT-QWRGUYRKSA-N	-1	2	344.396	1.814	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1	ZINC000743255408	579474119	/nfs/dbraw/zinc/47/41/19/579474119.db2.gz	DRXDOYRSKVUBHY-UHFFFAOYSA-N	-1	2	340.748	1.559	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772881	594243542	/nfs/dbraw/zinc/24/35/42/594243542.db2.gz	SDNHAXLSRCIRJY-YVACAVLKSA-N	-1	2	341.319	1.955	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cc1C#N	ZINC000829754651	594255880	/nfs/dbraw/zinc/25/58/80/594255880.db2.gz	QLHMTIZCTSYZDK-SECBINFHSA-N	-1	2	336.373	1.205	20	30		EDEDLM
Cc1cc[nH]c2nc([C@H](C#N)C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)nc1-2	ZINC000830611591	594437733	/nfs/dbraw/zinc/43/77/33/594437733.db2.gz	MROVJVZBGHXGBH-GMTAPVOTSA-N	-1	2	327.344	1.879	20	30		EDEDLM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860473139	595698093	/nfs/dbraw/zinc/69/80/93/595698093.db2.gz	IRYIHCXUQXROLD-VIFPVBQESA-N	-1	2	345.277	1.305	20	30		EDEDLM
COc1ccc(C[NH2+]CCC[NH+]2CCN(C(=O)[O-])CC2)cc1C#N	ZINC000829389531	594605357	/nfs/dbraw/zinc/60/53/57/594605357.db2.gz	LLJJKPHIIGTWCO-UHFFFAOYSA-N	-1	2	332.404	1.342	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1C#N	ZINC000832770870	594775474	/nfs/dbraw/zinc/77/54/74/594775474.db2.gz	KTOHDFPDHVOPOT-CYBMUJFWSA-N	-1	2	325.321	1.020	20	30		EDEDLM
C=CCOc1cccc(NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1	ZINC000632183190	451097479	/nfs/dbraw/zinc/09/74/79/451097479.db2.gz	KCTNFBMAEMAOCX-HNNXBMFYSA-N	-1	2	326.418	1.324	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[nH]c1=S	ZINC000738503464	578549004	/nfs/dbraw/zinc/54/90/04/578549004.db2.gz	QYSUUCLAOMWZRF-QMMMGPOBSA-N	-1	2	333.369	1.074	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1	ZINC000735459755	578885891	/nfs/dbraw/zinc/88/58/91/578885891.db2.gz	DXPUOBWXTZQISE-UHFFFAOYSA-N	-1	2	338.320	1.435	20	30		EDEDLM
N#CCn1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1	ZINC000747407777	579642105	/nfs/dbraw/zinc/64/21/05/579642105.db2.gz	USOKDGGLXSVOJL-UHFFFAOYSA-N	-1	2	334.357	1.225	20	30		EDEDLM
N#Cc1ccc(O)c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000751215807	579797569	/nfs/dbraw/zinc/79/75/69/579797569.db2.gz	VYEWTUUGPVJAPS-UHFFFAOYSA-N	-1	2	336.300	1.902	20	30		EDEDLM
Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)cc(C)c1OCC(=O)[O-]	ZINC000832859757	594781513	/nfs/dbraw/zinc/78/15/13/594781513.db2.gz	VZOOXDOEOKZBFD-CYBMUJFWSA-N	-1	2	330.340	1.368	20	30		EDEDLM
Cc1cccc(S(=O)(=O)Nc2cc(CC#N)ccn2)c1C(=O)[O-]	ZINC000832973171	594788145	/nfs/dbraw/zinc/78/81/45/594788145.db2.gz	XXRFRZLOYHLFLU-UHFFFAOYSA-N	-1	2	331.353	1.955	20	30		EDEDLM
C#CCCCCCC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833361796	594834365	/nfs/dbraw/zinc/83/43/65/594834365.db2.gz	MGQBTDWGDGPEGV-UHFFFAOYSA-N	-1	2	329.399	1.835	20	30		EDEDLM
O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC[C@@H]1Cc2ccccc2O1	ZINC000329470690	444593462	/nfs/dbraw/zinc/59/34/62/444593462.db2.gz	YZZGPGAYDRISCF-STQMWFEESA-N	-1	2	344.371	1.023	20	30		EDEDLM
C#CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1	ZINC000735380148	578880402	/nfs/dbraw/zinc/88/04/02/578880402.db2.gz	CUGZPHJYVAGNSH-UHFFFAOYSA-N	-1	2	337.309	1.036	20	30		EDEDLM
C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000779849608	580499540	/nfs/dbraw/zinc/49/95/40/580499540.db2.gz	WZFPVYVZFGTATH-SNVBAGLBSA-N	-1	2	349.368	1.815	20	30		EDEDLM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823724727	593842916	/nfs/dbraw/zinc/84/29/16/593842916.db2.gz	SYKAJHLDGQZOID-TVQRCGJNSA-N	-1	2	338.327	1.737	20	30		EDEDLM
CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000439251909	267354834	/nfs/dbraw/zinc/35/48/34/267354834.db2.gz	YDJAKVKNDITOTI-UHFFFAOYSA-N	-1	2	347.352	1.805	20	30		EDEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000741658313	579423253	/nfs/dbraw/zinc/42/32/53/579423253.db2.gz	VHLCLRHENLBWQT-UHFFFAOYSA-N	-1	2	338.316	1.665	20	30		EDEDLM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(CC#N)ccn1	ZINC000832868444	594782095	/nfs/dbraw/zinc/78/20/95/594782095.db2.gz	NACNGCUJFLIINS-UHFFFAOYSA-N	-1	2	331.353	1.955	20	30		EDEDLM
C=C(C)[C@@H](CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-])OCC	ZINC000833367468	594834962	/nfs/dbraw/zinc/83/49/62/594834962.db2.gz	LYUBLMSYTGELIT-SECBINFHSA-N	-1	2	347.414	1.623	20	30		EDEDLM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000760361124	580029173	/nfs/dbraw/zinc/02/91/73/580029173.db2.gz	MHFCXYJRSWCYHL-UHFFFAOYSA-N	-1	2	339.304	1.555	20	30		EDEDLM
N#CC(C(=O)CN1CCOC[C@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063355	594795329	/nfs/dbraw/zinc/79/53/29/594795329.db2.gz	IVKYLTOVQPFZQD-PWSUYJOCSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#C[C@H](C(=O)CN1CCOC[C@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063355	594795330	/nfs/dbraw/zinc/79/53/30/594795330.db2.gz	IVKYLTOVQPFZQD-PWSUYJOCSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c(F)c1	ZINC000530807246	305946672	/nfs/dbraw/zinc/94/66/72/305946672.db2.gz	UGGQZMKIOJXINZ-UHFFFAOYSA-N	-1	2	336.300	1.902	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303832	579328768	/nfs/dbraw/zinc/32/87/68/579328768.db2.gz	MSEWNOKJHYGYMT-MNOVXSKESA-N	-1	2	344.396	1.814	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303832	579328769	/nfs/dbraw/zinc/32/87/69/579328769.db2.gz	MSEWNOKJHYGYMT-MNOVXSKESA-N	-1	2	344.396	1.814	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)NCCCC(=O)[O-])cc2[nH]c1=S	ZINC000769495084	580238480	/nfs/dbraw/zinc/23/84/80/580238480.db2.gz	CNCXPLXGNSHHIN-UHFFFAOYSA-N	-1	2	347.396	1.466	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)NN=c2c(F)c(F)[n-]c(F)c2F)o1	ZINC000808070540	593219580	/nfs/dbraw/zinc/21/95/80/593219580.db2.gz	XNWBUWSMKHIJEQ-UHFFFAOYSA-N	-1	2	336.226	1.408	20	30		EDEDLM
Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)nc21	ZINC000830610727	594437695	/nfs/dbraw/zinc/43/76/95/594437695.db2.gz	ABRFRNRZNKVNMA-MNOVXSKESA-N	-1	2	343.343	1.212	20	30		EDEDLM
Cc1cc[nH]c2nc([C@@H](C#N)C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)nc1-2	ZINC000830610727	594437698	/nfs/dbraw/zinc/43/76/98/594437698.db2.gz	ABRFRNRZNKVNMA-MNOVXSKESA-N	-1	2	343.343	1.212	20	30		EDEDLM
Cn1ncc2c1ncnc2N=NC1CCCc2c(C#N)c(=O)[nH]cc21	ZINC000844575153	595361006	/nfs/dbraw/zinc/36/10/06/595361006.db2.gz	DBYYLRBAYAARJV-UHFFFAOYSA-N	-1	2	334.343	1.488	20	30		EDEDLM
N#CC1(CS(=O)(=O)Nc2c(C(=O)[O-])ccc3cccnc32)CC1	ZINC000275096133	443621347	/nfs/dbraw/zinc/62/13/47/443621347.db2.gz	PTTYMHVNLJQCPQ-UHFFFAOYSA-N	-1	2	331.353	1.978	20	30		EDEDLM
Cc1cc(S(=O)(=O)Nc2cnn(CC#N)c2)cc(C(=O)[O-])c1F	ZINC000763281504	580096852	/nfs/dbraw/zinc/09/68/52/580096852.db2.gz	YHDPPNXRKVCOGW-UHFFFAOYSA-N	-1	2	338.320	1.353	20	30		EDEDLM
CC(=NNc1nnc(C)c(=O)[nH]1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814735127	593601952	/nfs/dbraw/zinc/60/19/52/593601952.db2.gz	RIAJOFZXGHTBEN-JTQLQIEISA-N	-1	2	331.332	1.574	20	30		EDEDLM
Cc1cc(C)n(N=Cc2cc(F)c(O)c(F)c2)c(=O)c1-c1nn[n-]n1	ZINC000822199033	594007458	/nfs/dbraw/zinc/00/74/58/594007458.db2.gz	SZKZWZISYJWMTC-UHFFFAOYSA-N	-1	2	346.297	1.511	20	30		EDEDLM
C=CCS(=O)(=O)[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000497220780	255477584	/nfs/dbraw/zinc/47/75/84/255477584.db2.gz	KWASALKTSMMGQB-ZETCQYMHSA-N	-1	2	346.327	1.074	20	30		EDEDLM
CC[C@@H](NN=Cc1ccc(C=[NH+]N[C@@H](CC)C(=O)[O-])cc1)C(=O)[O-]	ZINC000793059185	580834980	/nfs/dbraw/zinc/83/49/80/580834980.db2.gz	ZJRQOVABTKOKGC-OKILXGFUSA-N	-1	2	334.376	1.260	20	30		EDEDLM
CC[C@@H](N[NH+]=Cc1ccc(C=NN[C@@H](CC)C(=O)[O-])cc1)C(=O)[O-]	ZINC000793059185	580834981	/nfs/dbraw/zinc/83/49/81/580834981.db2.gz	ZJRQOVABTKOKGC-OKILXGFUSA-N	-1	2	334.376	1.260	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2CNC(=O)[O-])cc1C#N	ZINC000829753978	594255701	/nfs/dbraw/zinc/25/57/01/594255701.db2.gz	JUEAJEMHFRRYRK-VIFPVBQESA-N	-1	2	336.373	1.253	20	30		EDEDLM
N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1F	ZINC000436996999	270013170	/nfs/dbraw/zinc/01/31/70/270013170.db2.gz	VDAYELVWBSKTJL-UHFFFAOYSA-N	-1	2	336.300	1.902	20	30		EDEDLM
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ncc[nH]1	ZINC000601307979	449818472	/nfs/dbraw/zinc/81/84/72/449818472.db2.gz	JYOCSZTYVMVHSG-UHFFFAOYSA-N	-1	2	333.417	1.034	20	30		EDEDLM
Cc1ncc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C#N	ZINC000793410330	580843557	/nfs/dbraw/zinc/84/35/57/580843557.db2.gz	VAYOFNVOSMINSY-UHFFFAOYSA-N	-1	2	334.313	1.676	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1C#N	ZINC000829754634	594255775	/nfs/dbraw/zinc/25/57/75/594255775.db2.gz	PSJNHHDEKYJDGV-QMMMGPOBSA-N	-1	2	336.373	1.205	20	30		EDEDLM
O=C([O-])C(C(O)=CSc1cnccn1)c1nc2ccccc2[nH]1	ZINC000739499509	579212753	/nfs/dbraw/zinc/21/27/53/579212753.db2.gz	RSGIQWGDERUKAZ-UHFFFAOYSA-N	-1	2	328.353	1.972	20	30		EDEDLM
Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1C#N	ZINC000324104503	444349993	/nfs/dbraw/zinc/34/99/93/444349993.db2.gz	JPSSWGNKMFUIIR-UHFFFAOYSA-N	-1	2	333.325	1.466	20	30		EDEDLM
N#Cc1nc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])[nH]c1C#N	ZINC000351256081	446019751	/nfs/dbraw/zinc/01/97/51/446019751.db2.gz	RFKKMYHAAUMHKV-UHFFFAOYSA-N	-1	2	337.274	1.436	20	30		EDEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000352904390	536658555	/nfs/dbraw/zinc/65/85/55/536658555.db2.gz	YGQHFEUWYNNRDH-UHFFFAOYSA-N	-1	2	335.341	1.404	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772878	594243700	/nfs/dbraw/zinc/24/37/00/594243700.db2.gz	SDNHAXLSRCIRJY-IYKSTZQJSA-N	-1	2	341.319	1.955	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(CCC#N)n1	ZINC000738464020	600054261	/nfs/dbraw/zinc/05/42/61/600054261.db2.gz	WHTURFXCLDLLBA-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
C[NH+](C)Cc1nc(C2(NS(=O)(=O)CCCC#N)CCCC2)no1	ZINC000348106268	445270716	/nfs/dbraw/zinc/27/07/16/445270716.db2.gz	SUHUFMPZKNDUTM-UHFFFAOYSA-N	-1	2	341.437	1.124	20	30		EDEDLM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824710365	594060269	/nfs/dbraw/zinc/06/02/69/594060269.db2.gz	IFWXUHILMWFSCE-UWVGGRQHSA-N	-1	2	330.348	1.508	20	30		EDEDLM
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833377442	594836874	/nfs/dbraw/zinc/83/68/74/594836874.db2.gz	XEPNYNKHHRTSPY-MRVPVSSYSA-N	-1	2	339.398	1.549	20	30		EDEDLM
C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccsc2C(=O)[O-])S1	ZINC000833377442	594836876	/nfs/dbraw/zinc/83/68/76/594836876.db2.gz	XEPNYNKHHRTSPY-MRVPVSSYSA-N	-1	2	339.398	1.549	20	30		EDEDLM
Cc1cc(C)n(N=Cc2cc(C(=O)[O-])cs2)c(=O)c1-c1nn[nH]n1	ZINC000826265201	594403272	/nfs/dbraw/zinc/40/32/72/594403272.db2.gz	PMJYKMSQPIMMKQ-UHFFFAOYSA-N	-1	2	344.356	1.287	20	30		EDEDLM
Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1	ZINC001032581964	705016226	/nfs/dbraw/zinc/01/62/26/705016226.db2.gz	OPDYZQZCOZDCOT-HOTGVXAUSA-N	-1	2	349.394	1.461	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000355576156	150320943	/nfs/dbraw/zinc/32/09/43/150320943.db2.gz	OBRHJVNXTUESOW-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
C[NH+](C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C(=O)[O-])c1	ZINC000548769308	306137354	/nfs/dbraw/zinc/13/73/54/306137354.db2.gz	ZPHYHMVFNSIKNJ-UHFFFAOYSA-N	-1	2	335.341	1.716	20	30		EDEDLM
N#Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1-c1nn[nH]n1	ZINC000737709169	578550023	/nfs/dbraw/zinc/55/00/23/578550023.db2.gz	KKZFNYQWBGLTPJ-UHFFFAOYSA-N	-1	2	330.311	1.638	20	30		EDEDLM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823724726	593842885	/nfs/dbraw/zinc/84/28/85/593842885.db2.gz	SYKAJHLDGQZOID-RNCFNFMXSA-N	-1	2	338.327	1.737	20	30		EDEDLM
CNC(=O)C(C#N)=C(O)c1ccc2c(ccn2CCCNC(=O)[O-])c1	ZINC000828520698	594444041	/nfs/dbraw/zinc/44/40/41/594444041.db2.gz	NNPQOLKLUSXYLT-ZDUSSCGKSA-N	-1	2	342.355	1.367	20	30		EDEDLM
CC(C)c1ccc(N2CC(=O)C(C(=O)N(CC#N)CC(=O)[O-])=N2)cc1	ZINC000827112941	594643241	/nfs/dbraw/zinc/64/32/41/594643241.db2.gz	RBJYOOIQWWPZKZ-UHFFFAOYSA-N	-1	2	342.355	1.752	20	30		EDEDLM
N#CC(C(=O)CN1CCOC[C@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063354	594795323	/nfs/dbraw/zinc/79/53/23/594795323.db2.gz	IVKYLTOVQPFZQD-JQWIXIFHSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CCOC[C@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063354	594795324	/nfs/dbraw/zinc/79/53/24/594795324.db2.gz	IVKYLTOVQPFZQD-JQWIXIFHSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#CCCn1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1	ZINC000362310190	250182074	/nfs/dbraw/zinc/18/20/74/250182074.db2.gz	XJPRQDSABKYPKH-UHFFFAOYSA-N	-1	2	338.320	1.435	20	30		EDEDLM
CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000188628788	442774611	/nfs/dbraw/zinc/77/46/11/442774611.db2.gz	LLTTZODADVJVSX-AWEZNQCLSA-N	-1	2	330.432	1.267	20	30		EDEDLM
C[N@@H+]1CCN(CC/[NH+]=C(/[O-])Cc2cn3ccsc3n2)CC1(C)C	ZINC000328651665	444414928	/nfs/dbraw/zinc/41/49/28/444414928.db2.gz	BPYPNINWLZMIIJ-UHFFFAOYSA-N	-1	2	335.477	1.921	20	30		EDEDLM
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCn2cc[nH+]c21	ZINC000366718996	446321834	/nfs/dbraw/zinc/32/18/34/446321834.db2.gz	KYVZJQPKYXLCNB-NSHDSACASA-N	-1	2	334.376	1.750	20	30		EDEDLM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824710367	594060198	/nfs/dbraw/zinc/06/01/98/594060198.db2.gz	IFWXUHILMWFSCE-VHSXEESVSA-N	-1	2	330.348	1.508	20	30		EDEDLM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000740304728	579328965	/nfs/dbraw/zinc/32/89/65/579328965.db2.gz	XVNLTEMMCKRRHC-MRVPVSSYSA-N	-1	2	345.340	1.267	20	30		EDEDLM
O=C([N-]C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277154	593493906	/nfs/dbraw/zinc/49/39/06/593493906.db2.gz	SGBCLLLTAUEQDP-RQJHMYQMSA-N	-1	2	338.223	1.804	20	30		EDEDLM
O=C([N-]C[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000812277154	593493905	/nfs/dbraw/zinc/49/39/05/593493905.db2.gz	SGBCLLLTAUEQDP-RQJHMYQMSA-N	-1	2	338.223	1.804	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc3c2N(C(=O)[O-])CC3)c(=O)o1	ZINC000825772880	594243474	/nfs/dbraw/zinc/24/34/74/594243474.db2.gz	SDNHAXLSRCIRJY-NFAHFFEMSA-N	-1	2	341.319	1.955	20	30		EDEDLM
COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1C(=O)[O-]	ZINC000832468445	594752613	/nfs/dbraw/zinc/75/26/13/594752613.db2.gz	CEMCJUGATSDEMZ-UHFFFAOYSA-N	-1	2	339.354	1.522	20	30		EDEDLM
Cc1cc(C(O)=C(C#N)C(=O)N2CCCC2)cc(C)c1OCC(=O)[O-]	ZINC000832859846	594781698	/nfs/dbraw/zinc/78/16/98/594781698.db2.gz	ZNDWOCYEOUTWPE-CQSZACIVSA-N	-1	2	344.367	1.712	20	30		EDEDLM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(CNC(=O)C(F)(F)F)o1	ZINC000860471761	595696927	/nfs/dbraw/zinc/69/69/27/595696927.db2.gz	RWHLFUAFOZZVKX-SECBINFHSA-N	-1	2	343.261	1.059	20	30		EDEDLM
N#C[C@H](C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccccn1	ZINC000740303935	579328719	/nfs/dbraw/zinc/32/87/19/579328719.db2.gz	NQXKNKUFZOWTQB-LBPRGKRZSA-N	-1	2	340.343	1.478	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1CCC#N	ZINC000271037740	443487707	/nfs/dbraw/zinc/48/77/07/443487707.db2.gz	JPZHJVYWILIZPX-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(C#N)c1	ZINC000324331929	444353631	/nfs/dbraw/zinc/35/36/31/444353631.db2.gz	BQXXJJHLNYXUCQ-UHFFFAOYSA-N	-1	2	333.325	1.461	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000739482642	578285420	/nfs/dbraw/zinc/28/54/20/578285420.db2.gz	YNNRRSHGVNGLKL-IUCAKERBSA-N	-1	2	337.357	1.496	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000739482642	578285421	/nfs/dbraw/zinc/28/54/21/578285421.db2.gz	YNNRRSHGVNGLKL-IUCAKERBSA-N	-1	2	337.357	1.496	20	30		EDEDLM
Cc1cc(O)c(C(=O)C=Cc2cccc(OCCC(=O)[O-])c2)c(=O)o1	ZINC000746683365	579606546	/nfs/dbraw/zinc/60/65/46/579606546.db2.gz	JRHRUDNGEZQULB-KEGWNNHHSA-N	-1	2	344.319	1.768	20	30		EDEDLM
N#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1	ZINC000751211030	579797451	/nfs/dbraw/zinc/79/74/51/579797451.db2.gz	KZETZVOZCOEJAP-UHFFFAOYSA-N	-1	2	348.336	1.794	20	30		EDEDLM
C#CCOc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000825631683	594209214	/nfs/dbraw/zinc/20/92/14/594209214.db2.gz	IXWNQKXQAMRPCA-UHFFFAOYSA-N	-1	2	338.366	1.654	20	30		EDEDLM
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000829809007	594268494	/nfs/dbraw/zinc/26/84/94/594268494.db2.gz	OEEYQFSCJCCDBB-UHFFFAOYSA-N	-1	2	349.372	1.072	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])n(CCC#N)n1	ZINC000832900273	594783982	/nfs/dbraw/zinc/78/39/82/594783982.db2.gz	VZTWEBRDMUAJLI-UHFFFAOYSA-N	-1	2	341.374	1.061	20	30		EDEDLM
C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1	ZINC000819697493	593764063	/nfs/dbraw/zinc/76/40/63/593764063.db2.gz	GSQHOFOFGZWTQT-SNVBAGLBSA-N	-1	2	332.795	1.802	20	30		EDEDLM
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833954406	594973114	/nfs/dbraw/zinc/97/31/14/594973114.db2.gz	ITSSRDUIPWHRKJ-LLVKDONJSA-N	-1	2	326.312	1.644	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1CCC#N	ZINC000285220956	443900298	/nfs/dbraw/zinc/90/02/98/443900298.db2.gz	UVFRMOGDDJUIMO-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H]1CCOc2ccccc21	ZINC000329440006	444579743	/nfs/dbraw/zinc/57/97/43/444579743.db2.gz	MVJPGOBNMBWCEK-STQMWFEESA-N	-1	2	344.371	1.543	20	30		EDEDLM
C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000775298201	580387469	/nfs/dbraw/zinc/38/74/69/580387469.db2.gz	LFDJXHYDVQEXTP-UHFFFAOYSA-N	-1	2	347.348	1.903	20	30		EDEDLM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823724725	593842822	/nfs/dbraw/zinc/84/28/22/593842822.db2.gz	SYKAJHLDGQZOID-NOZJJQNGSA-N	-1	2	338.327	1.737	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1CCC#N	ZINC000348908262	445437326	/nfs/dbraw/zinc/43/73/26/445437326.db2.gz	OGJPGLVWTWDJGO-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1C#N	ZINC000740020419	579281336	/nfs/dbraw/zinc/28/13/36/579281336.db2.gz	FBLPFXRHSXDIGM-MRVPVSSYSA-N	-1	2	336.373	1.110	20	30		EDEDLM
COCCCNC(=O)C(C#N)=C(O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000828950757	594536391	/nfs/dbraw/zinc/53/63/91/594536391.db2.gz	RSJZFPHIYMMXLX-LBPRGKRZSA-N	-1	2	333.344	1.560	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n(CCC#N)n1	ZINC000832899260	594783897	/nfs/dbraw/zinc/78/38/97/594783897.db2.gz	HCZWFETWESTHPD-UHFFFAOYSA-N	-1	2	340.386	1.666	20	30		EDEDLM
C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2[nH]c1=S	ZINC000269093042	249376987	/nfs/dbraw/zinc/37/69/87/249376987.db2.gz	WNBIDLLGKVXICI-VIFPVBQESA-N	-1	2	347.396	1.416	20	30		EDEDLM
CC[C@@H](C#N)S(=O)(=O)Nc1cc(CCC(=O)[O-])ccc1OC	ZINC000416949638	447722317	/nfs/dbraw/zinc/72/23/17/447722317.db2.gz	HJVSVKVZUSIJBQ-NSHDSACASA-N	-1	2	326.374	1.756	20	30		EDEDLM
CC[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000749378898	579724078	/nfs/dbraw/zinc/72/40/78/579724078.db2.gz	HRNVYXHKFPADFK-BYPYZUCNSA-N	-1	2	344.202	1.798	20	30		EDEDLM
N#Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1	ZINC000751217078	579797652	/nfs/dbraw/zinc/79/76/52/579797652.db2.gz	RGHHHLDQYGLWOC-UHFFFAOYSA-N	-1	2	334.309	1.468	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](CC)NC(=O)[O-])n1	ZINC000827354878	594663961	/nfs/dbraw/zinc/66/39/61/594663961.db2.gz	DXXFHWUPNCOYKO-SFYZADRCSA-N	-1	2	325.346	1.542	20	30		EDEDLM
C=CCONC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1	ZINC000836551012	594974172	/nfs/dbraw/zinc/97/41/72/594974172.db2.gz	ROMPHEVRIXQKSG-UHFFFAOYSA-N	-1	2	332.404	1.590	20	30		EDEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000343874745	444639720	/nfs/dbraw/zinc/63/97/20/444639720.db2.gz	YSTZJCGJQSMUAO-UHFFFAOYSA-N	-1	2	336.325	1.967	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1C#N	ZINC000829753969	594255658	/nfs/dbraw/zinc/25/56/58/594255658.db2.gz	JUEAJEMHFRRYRK-SECBINFHSA-N	-1	2	336.373	1.253	20	30		EDEDLM
COCCCNC(=O)C(C#N)=C(O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000828950756	594536542	/nfs/dbraw/zinc/53/65/42/594536542.db2.gz	RSJZFPHIYMMXLX-GFCCVEGCSA-N	-1	2	333.344	1.560	20	30		EDEDLM
CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n1	ZINC000827356085	594664042	/nfs/dbraw/zinc/66/40/42/594664042.db2.gz	OOLFZDSYIJFLHY-BDAKNGLRSA-N	-1	2	339.373	1.742	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n1	ZINC000827356085	594664043	/nfs/dbraw/zinc/66/40/43/594664043.db2.gz	OOLFZDSYIJFLHY-BDAKNGLRSA-N	-1	2	339.373	1.742	20	30		EDEDLM
Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)cc(C)c1OCC(=O)[O-]	ZINC000832859759	594781519	/nfs/dbraw/zinc/78/15/19/594781519.db2.gz	VZOOXDOEOKZBFD-ZDUSSCGKSA-N	-1	2	330.340	1.368	20	30		EDEDLM
Cc1cc(C(O)=C(C#N)C(=O)N2CCCC2)cc(C)c1OCC(=O)[O-]	ZINC000832859845	594781659	/nfs/dbraw/zinc/78/16/59/594781659.db2.gz	ZNDWOCYEOUTWPE-AWEZNQCLSA-N	-1	2	344.367	1.712	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000355583151	303199478	/nfs/dbraw/zinc/19/94/78/303199478.db2.gz	YBNBZXROKGYIKU-UHFFFAOYSA-N	-1	2	347.308	1.965	20	30		EDEDLM
Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccnc1C#N)CCC2	ZINC000365426517	446201451	/nfs/dbraw/zinc/20/14/51/446201451.db2.gz	VTAVYZNTLDJLGP-GFCCVEGCSA-N	-1	2	331.401	1.314	20	30		EDEDLM
COc1ccc(C#N)cc1NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000832153261	594730561	/nfs/dbraw/zinc/73/05/61/594730561.db2.gz	YXVWPPZMTSHNSF-UHFFFAOYSA-N	-1	2	339.354	1.522	20	30		EDEDLM
C=C(Br)C[NH+]1CCC(NC(=O)c2cnc[nH]c2=O)CC1	ZINC001003117855	710007110	/nfs/dbraw/zinc/00/71/10/710007110.db2.gz	YKRCVHVVBLHKJL-UHFFFAOYSA-N	-1	2	341.209	1.285	20	30		EDEDLM
C=CCOc1cccc(NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1	ZINC000632183191	451097209	/nfs/dbraw/zinc/09/72/09/451097209.db2.gz	KCTNFBMAEMAOCX-OAHLLOKOSA-N	-1	2	326.418	1.324	20	30		EDEDLM
O=C([N-]C1(CNC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F	ZINC000773427276	580336989	/nfs/dbraw/zinc/33/69/89/580336989.db2.gz	DZMGWLUFBCBBGK-UHFFFAOYSA-N	-1	2	342.186	1.552	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(F)c1	ZINC000776433580	580417209	/nfs/dbraw/zinc/41/72/09/580417209.db2.gz	WZTVUKBSMTWCJY-UHFFFAOYSA-N	-1	2	336.300	1.902	20	30		EDEDLM
CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n1	ZINC000827356093	594664107	/nfs/dbraw/zinc/66/41/07/594664107.db2.gz	OOLFZDSYIJFLHY-RKDXNWHRSA-N	-1	2	339.373	1.742	20	30		EDEDLM
CCOC(=O)c1csc(C(C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n1	ZINC000827356093	594664108	/nfs/dbraw/zinc/66/41/08/594664108.db2.gz	OOLFZDSYIJFLHY-RKDXNWHRSA-N	-1	2	339.373	1.742	20	30		EDEDLM
N#C[C@@H](C(=O)C1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961703	594975648	/nfs/dbraw/zinc/97/56/48/594975648.db2.gz	UHDYTRXILZNJLO-NSHDSACASA-N	-1	2	328.353	1.991	20	30		EDEDLM
N#CC(C(=O)C1CN(C(=O)[O-])C1)c1nc(-c2ccncc2)cs1	ZINC000833961703	594975650	/nfs/dbraw/zinc/97/56/50/594975650.db2.gz	UHDYTRXILZNJLO-NSHDSACASA-N	-1	2	328.353	1.991	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1CCC#N	ZINC000348863783	445420823	/nfs/dbraw/zinc/42/08/23/445420823.db2.gz	AMQQDKJFVIXALB-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
N#CC(C(=O)CN1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303830	579328777	/nfs/dbraw/zinc/32/87/77/579328777.db2.gz	MSEWNOKJHYGYMT-GHMZBOCLSA-N	-1	2	344.396	1.814	20	30		EDEDLM
N#C[C@H](C(=O)CN1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1	ZINC000740303830	579328778	/nfs/dbraw/zinc/32/87/78/579328778.db2.gz	MSEWNOKJHYGYMT-GHMZBOCLSA-N	-1	2	344.396	1.814	20	30		EDEDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)CC1(C#N)CC1	ZINC000274920852	443615520	/nfs/dbraw/zinc/61/55/20/443615520.db2.gz	ASWROMNZHKSGDV-UHFFFAOYSA-N	-1	2	328.321	1.578	20	30		EDEDLM
C=CCS(=O)(=O)[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000497220779	447975539	/nfs/dbraw/zinc/97/55/39/447975539.db2.gz	KWASALKTSMMGQB-SSDOTTSWSA-N	-1	2	346.327	1.074	20	30		EDEDLM
N#CC(C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063353	594795302	/nfs/dbraw/zinc/79/53/02/594795302.db2.gz	IVKYLTOVQPFZQD-CMPLNLGQSA-N	-1	2	345.380	1.258	20	30		EDEDLM
N#C[C@@H](C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1nc2ccccc2s1	ZINC000833063353	594795303	/nfs/dbraw/zinc/79/53/03/594795303.db2.gz	IVKYLTOVQPFZQD-CMPLNLGQSA-N	-1	2	345.380	1.258	20	30		EDEDLM
O=C1[C@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CCCN1O	ZINC000895162506	591628411	/nfs/dbraw/zinc/62/84/11/591628411.db2.gz	MDKJLEPCIDTUQV-GFCCVEGCSA-N	-1	2	339.758	1.530	20	30		EDEDLM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c(F)c1	ZINC000565421373	306383538	/nfs/dbraw/zinc/38/35/38/306383538.db2.gz	GHWKNKUTDAKBKR-SNVBAGLBSA-N	-1	2	333.335	1.220	20	30		EDEDLM
C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000779849607	580499567	/nfs/dbraw/zinc/49/95/67/580499567.db2.gz	WZFPVYVZFGTATH-JTQLQIEISA-N	-1	2	349.368	1.815	20	30		EDEDLM
CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cc1C#N	ZINC000829754652	594255745	/nfs/dbraw/zinc/25/57/45/594255745.db2.gz	QLHMTIZCTSYZDK-VIFPVBQESA-N	-1	2	336.373	1.205	20	30		EDEDLM
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000528482941	268299219	/nfs/dbraw/zinc/29/92/19/268299219.db2.gz	DNBOEJDYVIWJJC-CQSZACIVSA-N	-1	2	343.387	1.001	20	30		EDEDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1CCC#N	ZINC000271064743	443489579	/nfs/dbraw/zinc/48/95/79/443489579.db2.gz	MJEXTPUEABWMSL-UHFFFAOYSA-N	-1	2	348.384	1.913	20	30		EDEDLM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000357416501	445557693	/nfs/dbraw/zinc/55/76/93/445557693.db2.gz	RNXRWQNEOKFTQA-UHFFFAOYSA-N	-1	2	334.357	1.604	20	30		EDEDLM
CC(=NNc1nnc(C)c(=O)[nH]1)c1cccc(OCCCC(=O)[O-])c1	ZINC000814734655	593601754	/nfs/dbraw/zinc/60/17/54/593601754.db2.gz	GOHZLBYKFNDSAF-UHFFFAOYSA-N	-1	2	345.359	1.965	20	30		EDEDLM