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@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000819865363	945300400	/nfs/dbraw/zinc/30/04/00/945300400.db2.gz	DAEVVHHARWXPBQ-JTQLQIEISA-N	1	1	398.393	0.965	20	50		GCGDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000735881939	944708797	/nfs/dbraw/zinc/70/87/97/944708797.db2.gz	LZEKYIOVAAQPIH-ZDUSSCGKSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](C)C1	ZINC000736263970	944781629	/nfs/dbraw/zinc/78/16/29/944781629.db2.gz	AFPOGEBDCIZKDX-QWHCGFSZSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264007	944781817	/nfs/dbraw/zinc/78/18/17/944781817.db2.gz	AWJRIHUTUKYFFR-STQMWFEESA-N	1	1	386.460	0.931	20	50		GCGDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736322926	944802164	/nfs/dbraw/zinc/80/21/64/944802164.db2.gz	RHVXUTJAALYAAX-LBPRGKRZSA-N	1	1	390.448	0.306	20	50		GCGDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007329	944930583	/nfs/dbraw/zinc/93/05/83/944930583.db2.gz	LUSWVEZASWJZCP-QOBZYLRHSA-N	1	1	398.471	0.648	20	50		GCGDMO
COCC[N@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006364	944931899	/nfs/dbraw/zinc/93/18/99/944931899.db2.gz	GZWXJKBBVFVCFA-TYWAAFNRSA-N	1	1	398.471	0.648	20	50		GCGDMO
Cc1cc(C(=O)NNC(=O)C[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	ZINC000737236989	945016805	/nfs/dbraw/zinc/01/68/05/945016805.db2.gz	XUQBVWWWOFYCKV-UHFFFAOYSA-N	1	1	382.428	0.597	20	50		GCGDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821268064	945661157	/nfs/dbraw/zinc/66/11/57/945661157.db2.gz	SBIHPLDJTMXDRV-CQSZACIVSA-N	1	1	387.492	0.766	20	50		GCGDMO
CCOC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821369388	945684797	/nfs/dbraw/zinc/68/47/97/945684797.db2.gz	ZYZPHSJRDHFTNZ-ZDUSSCGKSA-N	1	1	387.444	0.376	20	50		GCGDMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821369388	945684802	/nfs/dbraw/zinc/68/48/02/945684802.db2.gz	ZYZPHSJRDHFTNZ-ZDUSSCGKSA-N	1	1	387.444	0.376	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027487	945934323	/nfs/dbraw/zinc/93/43/23/945934323.db2.gz	HHKZSRQNFCUHAT-QQBLOHQYSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027487	945934331	/nfs/dbraw/zinc/93/43/31/945934331.db2.gz	HHKZSRQNFCUHAT-QQBLOHQYSA-N	1	1	384.444	0.256	20	50		GCGDMO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000822860135	946206172	/nfs/dbraw/zinc/20/61/72/946206172.db2.gz	NSRBFRAICYUCCF-CYBMUJFWSA-N	1	1	387.448	0.080	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991297	946249148	/nfs/dbraw/zinc/24/91/48/946249148.db2.gz	ACWQAWZFOKDHSO-CQSZACIVSA-N	1	1	381.396	0.710	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991297	946249161	/nfs/dbraw/zinc/24/91/61/946249161.db2.gz	ACWQAWZFOKDHSO-CQSZACIVSA-N	1	1	381.396	0.710	20	50		GCGDMO
O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997322	946257591	/nfs/dbraw/zinc/25/75/91/946257591.db2.gz	PBWWVMMTQWQYBU-LJQANCHMSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997322	946257603	/nfs/dbraw/zinc/25/76/03/946257603.db2.gz	PBWWVMMTQWQYBU-LJQANCHMSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[NH+]1CCc2ccccc2CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823001000	946259710	/nfs/dbraw/zinc/25/97/10/946259710.db2.gz	HLAWZSLCBTZGPD-UHFFFAOYSA-N	1	1	391.435	0.729	20	50		GCGDMO
C[N@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nn[nH]n3)c1)CC2	ZINC000826033441	947413999	/nfs/dbraw/zinc/41/39/99/947413999.db2.gz	DECJXMOIAVYYOO-UHFFFAOYSA-N	1	1	398.471	0.188	20	50		GCGDMO
CS[C@@H]1CCCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227077	607475245	/nfs/dbraw/zinc/47/52/45/607475245.db2.gz	LHRWWJMPWRECSO-CQSZACIVSA-N	1	1	389.485	0.845	20	50		GCGDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460516	607716978	/nfs/dbraw/zinc/71/69/78/607716978.db2.gz	ZOMJPVKEYMNQDL-ZBFHGGJFSA-N	1	1	398.471	0.643	20	50		GCGDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460513	607717338	/nfs/dbraw/zinc/71/73/38/607717338.db2.gz	ZOMJPVKEYMNQDL-GDBMZVCRSA-N	1	1	398.471	0.643	20	50		GCGDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824261126	607757458	/nfs/dbraw/zinc/75/74/58/607757458.db2.gz	BDZHEKUEDUPPMC-OAHLLOKOSA-N	1	1	386.460	0.931	20	50		GCGDMO
CSC[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228331	607924105	/nfs/dbraw/zinc/92/41/05/607924105.db2.gz	LVYGHKRMVCIWGA-CYBMUJFWSA-N	1	1	375.458	0.455	20	50		GCGDMO
CSC[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228331	607924106	/nfs/dbraw/zinc/92/41/06/607924106.db2.gz	LVYGHKRMVCIWGA-CYBMUJFWSA-N	1	1	375.458	0.455	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCC[C@H]1O	ZINC000825892551	609375968	/nfs/dbraw/zinc/37/59/68/609375968.db2.gz	OQXOHHONVFNJQY-HUUCEWRRSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCC[C@H]1O	ZINC000825892551	609375971	/nfs/dbraw/zinc/37/59/71/609375971.db2.gz	OQXOHHONVFNJQY-HUUCEWRRSA-N	1	1	387.444	0.111	20	50		GCGDMO
O=C(C[NH2+][C@H](CO)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412431	609425689	/nfs/dbraw/zinc/42/56/89/609425689.db2.gz	NSJSYIGFUAVFLY-OAHLLOKOSA-N	1	1	399.386	0.090	20	50		GCGDMO
O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410431	609608831	/nfs/dbraw/zinc/60/88/31/609608831.db2.gz	NAEPDTGYYYTNGI-INIZCTEOSA-N	1	1	399.455	0.376	20	50		GCGDMO
C[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC1	ZINC000736017438	944732661	/nfs/dbraw/zinc/73/26/61/944732661.db2.gz	NNTYYXDDURWAJJ-LLVKDONJSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295460	944790225	/nfs/dbraw/zinc/79/02/25/944790225.db2.gz	UZZHTLKDLWGUGO-SWLSCSKDSA-N	1	1	384.444	0.780	20	50		GCGDMO
CCC(=O)NNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000736304840	944795309	/nfs/dbraw/zinc/79/53/09/944795309.db2.gz	RBDOKQQFBOKOKH-ZDUSSCGKSA-N	1	1	386.460	0.325	20	50		GCGDMO
CCC(=O)NNC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000736304840	944795317	/nfs/dbraw/zinc/79/53/17/944795317.db2.gz	RBDOKQQFBOKOKH-ZDUSSCGKSA-N	1	1	386.460	0.325	20	50		GCGDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736322925	944801155	/nfs/dbraw/zinc/80/11/55/944801155.db2.gz	RHVXUTJAALYAAX-GFCCVEGCSA-N	1	1	390.448	0.306	20	50		GCGDMO
CC[N@@H+]1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568656	944844407	/nfs/dbraw/zinc/84/44/07/944844407.db2.gz	KRAUVBDDCLYMOI-XIEDVDOYSA-N	1	1	384.444	0.258	20	50		GCGDMO
CC[N@H+]1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568656	944844411	/nfs/dbraw/zinc/84/44/11/944844411.db2.gz	KRAUVBDDCLYMOI-XIEDVDOYSA-N	1	1	384.444	0.258	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1	ZINC000736760711	944885674	/nfs/dbraw/zinc/88/56/74/944885674.db2.gz	BSQLQGSGRVZRJP-UHFFFAOYSA-N	1	1	395.423	0.768	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859949	944900122	/nfs/dbraw/zinc/90/01/22/944900122.db2.gz	KNUWJVKKAIRBIQ-LSDHHAIUSA-N	1	1	384.444	0.780	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859908	944901075	/nfs/dbraw/zinc/90/10/75/944901075.db2.gz	KAVAIXHOKUIDBB-GJZGRUSLSA-N	1	1	384.444	0.780	20	50		GCGDMO
COCC[N@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006363	944931266	/nfs/dbraw/zinc/93/12/66/944931266.db2.gz	GZWXJKBBVFVCFA-QOBZYLRHSA-N	1	1	398.471	0.648	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211853	944988331	/nfs/dbraw/zinc/98/83/31/944988331.db2.gz	GGWHNROVHKVLAJ-KOBNLHKSSA-N	1	1	396.455	0.400	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737213929	945010195	/nfs/dbraw/zinc/01/01/95/945010195.db2.gz	ZARNPKGKTVXXBK-MJOIQJIUSA-N	1	1	398.471	0.505	20	50		GCGDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821087489	945631495	/nfs/dbraw/zinc/63/14/95/945631495.db2.gz	BTPMIPJHSFVWPY-CYBMUJFWSA-N	1	1	386.460	0.885	20	50		GCGDMO
C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21	ZINC000821625725	945755209	/nfs/dbraw/zinc/75/52/09/945755209.db2.gz	USYCBISTRHDNPX-CVEARBPZSA-N	1	1	398.471	0.044	20	50		GCGDMO
O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997635	946258770	/nfs/dbraw/zinc/25/87/70/946258770.db2.gz	TZCMTPXXRLFYSE-AWEZNQCLSA-N	1	1	395.427	0.230	20	50		GCGDMO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cncc(F)c1	ZINC000824563453	946800436	/nfs/dbraw/zinc/80/04/36/946800436.db2.gz	OSGAYSLZQFRZBY-JTQLQIEISA-N	1	1	384.375	0.513	20	50		GCGDMO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cncc(F)c1	ZINC000824563681	946801189	/nfs/dbraw/zinc/80/11/89/946801189.db2.gz	PGHSBFFYGFOWIW-JTQLQIEISA-N	1	1	384.375	0.513	20	50		GCGDMO
C[C@H]1C[C@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C	ZINC000824884092	946971890	/nfs/dbraw/zinc/97/18/90/946971890.db2.gz	LJEQXRFKWFVQPA-SWLSCSKDSA-N	1	1	386.460	0.042	20	50		GCGDMO
Cc1[nH+]ccn1CCCN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826330848	947961815	/nfs/dbraw/zinc/96/18/15/947961815.db2.gz	KNSIEYWPUSEKLA-UHFFFAOYSA-N	1	1	383.416	0.748	20	50		GCGDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458312	607343137	/nfs/dbraw/zinc/34/31/37/607343137.db2.gz	CBALWQZAJXAFPN-HOCLYGCPSA-N	1	1	398.471	0.643	20	50		GCGDMO
CS[C@H]1CCCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227078	607475283	/nfs/dbraw/zinc/47/52/83/607475283.db2.gz	LIXJOGGCUONKNT-AWEZNQCLSA-N	1	1	389.485	0.845	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410271	607527737	/nfs/dbraw/zinc/52/77/37/607527737.db2.gz	ISXQFYQOHNSONB-CVEARBPZSA-N	1	1	399.455	0.376	20	50		GCGDMO
CCCC[N@H+](CCOC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825285118	607922378	/nfs/dbraw/zinc/92/23/78/607922378.db2.gz	KDSKTLOAWNWSPN-UHFFFAOYSA-N	1	1	375.433	0.376	20	50		GCGDMO
CCCC[N@@H+](CCOC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825285118	607922379	/nfs/dbraw/zinc/92/23/79/607922379.db2.gz	KDSKTLOAWNWSPN-UHFFFAOYSA-N	1	1	375.433	0.376	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410808	607924590	/nfs/dbraw/zinc/92/45/90/607924590.db2.gz	ZENRJJBPQXYSAX-HUUCEWRRSA-N	1	1	385.428	0.129	20	50		GCGDMO
CSCC[C@@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228518	607925569	/nfs/dbraw/zinc/92/55/69/607925569.db2.gz	RMLKQICBWZOQLI-LLVKDONJSA-N	1	1	377.474	0.701	20	50		GCGDMO
O=C(C[N@H+](CCO)C1CCCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409669	607941677	/nfs/dbraw/zinc/94/16/77/607941677.db2.gz	JYYVHOYLQHSFIL-UHFFFAOYSA-N	1	1	387.444	0.255	20	50		GCGDMO
O=C(C[NH+]1CCC2(CCOC2)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410843	608042497	/nfs/dbraw/zinc/04/24/97/608042497.db2.gz	ZZSUXKLRVQCCCI-UHFFFAOYSA-N	1	1	385.428	0.130	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCC[C@H]1O	ZINC000825892552	609375557	/nfs/dbraw/zinc/37/55/57/609375557.db2.gz	OQXOHHONVFNJQY-LSDHHAIUSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCC[C@H]1O	ZINC000825892552	609375559	/nfs/dbraw/zinc/37/55/59/609375559.db2.gz	OQXOHHONVFNJQY-LSDHHAIUSA-N	1	1	387.444	0.111	20	50		GCGDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000820091815	945351070	/nfs/dbraw/zinc/35/10/70/945351070.db2.gz	AWZQQFUTLLPZQL-ZDUSSCGKSA-N	1	1	386.460	0.789	20	50		GCGDMO
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)[N@@H+](C)C1CC1	ZINC000736019070	944734975	/nfs/dbraw/zinc/73/49/75/944734975.db2.gz	YWDGIWQYYXZUQA-NSHDSACASA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)[N@@H+](C)C1CC1	ZINC000736019066	944736138	/nfs/dbraw/zinc/73/61/38/944736138.db2.gz	YWDGIWQYYXZUQA-LLVKDONJSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264006	944780699	/nfs/dbraw/zinc/78/06/99/944780699.db2.gz	AWJRIHUTUKYFFR-QWHCGFSZSA-N	1	1	386.460	0.931	20	50		GCGDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568286	944844176	/nfs/dbraw/zinc/84/41/76/944844176.db2.gz	KRAUVBDDCLYMOI-LULHVWEPSA-N	1	1	384.444	0.258	20	50		GCGDMO
CC[N@H+]1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568286	944844181	/nfs/dbraw/zinc/84/41/81/944844181.db2.gz	KRAUVBDDCLYMOI-LULHVWEPSA-N	1	1	384.444	0.258	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859946	944900374	/nfs/dbraw/zinc/90/03/74/944900374.db2.gz	KNUWJVKKAIRBIQ-CABCVRRESA-N	1	1	384.444	0.780	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859947	944902121	/nfs/dbraw/zinc/90/21/21/944902121.db2.gz	KNUWJVKKAIRBIQ-GJZGRUSLSA-N	1	1	384.444	0.780	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211856	944989626	/nfs/dbraw/zinc/98/96/26/944989626.db2.gz	GGWHNROVHKVLAJ-UPYRFZFASA-N	1	1	396.455	0.400	20	50		GCGDMO
C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@H+]1C	ZINC000820657924	945511828	/nfs/dbraw/zinc/51/18/28/945511828.db2.gz	NLJJZLHQDMMGBJ-NWDGAFQWSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[N@H+](CCc1ccccc1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821605226	945739814	/nfs/dbraw/zinc/73/98/14/945739814.db2.gz	ZZIVDGICNFGJBB-UHFFFAOYSA-N	1	1	379.424	0.802	20	50		GCGDMO
C[N@@H+](CCc1ccccc1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821605226	945739817	/nfs/dbraw/zinc/73/98/17/945739817.db2.gz	ZZIVDGICNFGJBB-UHFFFAOYSA-N	1	1	379.424	0.802	20	50		GCGDMO
C[N@H+](CCc1ccc(F)cc1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821605192	945741193	/nfs/dbraw/zinc/74/11/93/945741193.db2.gz	YYRALYTUCZCGLP-UHFFFAOYSA-N	1	1	397.414	0.941	20	50		GCGDMO
C[N@@H+](CCc1ccc(F)cc1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821605192	945741203	/nfs/dbraw/zinc/74/12/03/945741203.db2.gz	YYRALYTUCZCGLP-UHFFFAOYSA-N	1	1	397.414	0.941	20	50		GCGDMO
C[N@H+](CCc1cccs1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821607581	945742466	/nfs/dbraw/zinc/74/24/66/945742466.db2.gz	VCBGVNBKSFPLME-UHFFFAOYSA-N	1	1	385.453	0.864	20	50		GCGDMO
C[N@@H+](CCc1cccs1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821607581	945742475	/nfs/dbraw/zinc/74/24/75/945742475.db2.gz	VCBGVNBKSFPLME-UHFFFAOYSA-N	1	1	385.453	0.864	20	50		GCGDMO
C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21	ZINC000821625728	945756584	/nfs/dbraw/zinc/75/65/84/945756584.db2.gz	USYCBISTRHDNPX-JKSUJKDBSA-N	1	1	398.471	0.044	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996780	946256232	/nfs/dbraw/zinc/25/62/32/946256232.db2.gz	JCBFVXCIUGLASM-BEFAXECRSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996780	946256243	/nfs/dbraw/zinc/25/62/43/946256243.db2.gz	JCBFVXCIUGLASM-BEFAXECRSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997632	946260638	/nfs/dbraw/zinc/26/06/38/946260638.db2.gz	TWDASRHIBGLGID-UHFFFAOYSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCCC2(CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997632	946260649	/nfs/dbraw/zinc/26/06/49/946260649.db2.gz	TWDASRHIBGLGID-UHFFFAOYSA-N	1	1	399.455	0.520	20	50		GCGDMO
C[C@@]1(CCCO)CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818166	946944643	/nfs/dbraw/zinc/94/46/43/946944643.db2.gz	SMHUQHIERCFUHI-SFHVURJKSA-N	1	1	387.444	0.255	20	50		GCGDMO
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000826249495	607453944	/nfs/dbraw/zinc/45/39/44/607453944.db2.gz	GCMMTJOXUNBFRW-BETUJISGSA-N	1	1	387.444	0.435	20	50		GCGDMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826044153	607940012	/nfs/dbraw/zinc/94/00/12/607940012.db2.gz	AFCLXGUMWWIRJZ-INIZCTEOSA-N	1	1	392.423	0.997	20	50		GCGDMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826044153	607940013	/nfs/dbraw/zinc/94/00/13/607940013.db2.gz	AFCLXGUMWWIRJZ-INIZCTEOSA-N	1	1	392.423	0.997	20	50		GCGDMO
CCC1(CO)CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825170516	608171950	/nfs/dbraw/zinc/17/19/50/608171950.db2.gz	AWMGXSMTOKBMBR-UHFFFAOYSA-N	1	1	387.444	0.112	20	50		GCGDMO
CC[N@H+]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC000825444621	608256032	/nfs/dbraw/zinc/25/60/32/608256032.db2.gz	PGCYEGMUSNRSAR-STQMWFEESA-N	1	1	386.460	0.042	20	50		GCGDMO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(O)c1	ZINC000824564084	608475897	/nfs/dbraw/zinc/47/58/97/608475897.db2.gz	RJYDKXVVCRFORK-NSHDSACASA-N	1	1	381.396	0.684	20	50		GCGDMO
O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NNC(=O)c1ccccc1	ZINC000826412444	609282792	/nfs/dbraw/zinc/28/27/92/609282792.db2.gz	OFUMMOZMTNSEGU-UHFFFAOYSA-N	1	1	377.408	0.907	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]1C1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410225	609284240	/nfs/dbraw/zinc/28/42/40/609284240.db2.gz	GYJIHZUSTUKJSN-INIZCTEOSA-N	1	1	399.455	0.519	20	50		GCGDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737501238	945084593	/nfs/dbraw/zinc/08/45/93/945084593.db2.gz	TXFQKOSCKWJDSQ-NSHDSACASA-N	1	1	383.416	0.652	20	50		GCGDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000735882836	944708969	/nfs/dbraw/zinc/70/89/69/944708969.db2.gz	UHAHFFWISZFKFP-ZDUSSCGKSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264005	944782417	/nfs/dbraw/zinc/78/24/17/944782417.db2.gz	AWJRIHUTUKYFFR-OLZOCXBDSA-N	1	1	386.460	0.931	20	50		GCGDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736323201	944803211	/nfs/dbraw/zinc/80/32/11/944803211.db2.gz	VUSMUZUSWSFVJD-GFCCVEGCSA-N	1	1	390.448	0.306	20	50		GCGDMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736381526	944812944	/nfs/dbraw/zinc/81/29/44/944812944.db2.gz	IJDANNKHTZNVMM-HTRKUNOGSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[N@@H+]1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568284	944844435	/nfs/dbraw/zinc/84/44/35/944844435.db2.gz	KRAUVBDDCLYMOI-KEQVLUGWSA-N	1	1	384.444	0.258	20	50		GCGDMO
CC[N@H+]1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568284	944844444	/nfs/dbraw/zinc/84/44/44/944844444.db2.gz	KRAUVBDDCLYMOI-KEQVLUGWSA-N	1	1	384.444	0.258	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859909	944899810	/nfs/dbraw/zinc/89/98/10/944899810.db2.gz	KAVAIXHOKUIDBB-HUUCEWRRSA-N	1	1	384.444	0.780	20	50		GCGDMO
COCCC[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736982210	944925937	/nfs/dbraw/zinc/92/59/37/944925937.db2.gz	SDYAKXXVKMYZMA-GDNBJRDFSA-N	1	1	386.460	0.505	20	50		GCGDMO
COCC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C	ZINC000737002466	944928464	/nfs/dbraw/zinc/92/84/64/944928464.db2.gz	BJZFPIITAQPBRE-WPBJZHHJSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C	ZINC000737002466	944928470	/nfs/dbraw/zinc/92/84/70/944928470.db2.gz	BJZFPIITAQPBRE-WPBJZHHJSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C	ZINC000737002465	944929731	/nfs/dbraw/zinc/92/97/31/944929731.db2.gz	BJZFPIITAQPBRE-WFSQQTBHSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C	ZINC000737002465	944929739	/nfs/dbraw/zinc/92/97/39/944929739.db2.gz	BJZFPIITAQPBRE-WFSQQTBHSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006362	944930358	/nfs/dbraw/zinc/93/03/58/944930358.db2.gz	GZWXJKBBVFVCFA-LRQZKABGSA-N	1	1	398.471	0.648	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc(-c2nn[nH]n2)n1C	ZINC000737211750	944988946	/nfs/dbraw/zinc/98/89/46/944988946.db2.gz	FLECBINJRUREFX-AWNIVKPZSA-N	1	1	394.443	0.537	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213432	945001818	/nfs/dbraw/zinc/00/18/18/945001818.db2.gz	SPMICMHNIFMJNM-DHDCSXOGSA-N	1	1	398.471	0.336	20	50		GCGDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821087813	945633148	/nfs/dbraw/zinc/63/31/48/945633148.db2.gz	GOHMMSHWUWAXFG-CYBMUJFWSA-N	1	1	386.460	0.885	20	50		GCGDMO
CCC[N@@H+](CC)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821094109	945633339	/nfs/dbraw/zinc/63/33/39/945633339.db2.gz	DEPRRDZMXRQTFC-UHFFFAOYSA-N	1	1	390.448	0.308	20	50		GCGDMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821368695	945684560	/nfs/dbraw/zinc/68/45/60/945684560.db2.gz	UWVRVAVRTIORDI-CYBMUJFWSA-N	1	1	387.444	0.376	20	50		GCGDMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821368695	945684565	/nfs/dbraw/zinc/68/45/65/945684565.db2.gz	UWVRVAVRTIORDI-CYBMUJFWSA-N	1	1	387.444	0.376	20	50		GCGDMO
C[N@@H+](CCC1CCOCC1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821599418	945737986	/nfs/dbraw/zinc/73/79/86/945737986.db2.gz	SLZKYDDRYQMYFX-UHFFFAOYSA-N	1	1	387.444	0.376	20	50		GCGDMO
C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21	ZINC000821625727	945756427	/nfs/dbraw/zinc/75/64/27/945756427.db2.gz	USYCBISTRHDNPX-HZPDHXFCSA-N	1	1	398.471	0.044	20	50		GCGDMO
C[NH+]1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1	ZINC000821627230	945756716	/nfs/dbraw/zinc/75/67/16/945756716.db2.gz	SHLOBCCJYSATOK-UHFFFAOYSA-N	1	1	384.366	0.576	20	50		GCGDMO
Cc1[nH+]ccn1CCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822478521	946099544	/nfs/dbraw/zinc/09/95/44/946099544.db2.gz	SVWVUQJKTPUEJI-UHFFFAOYSA-N	1	1	383.416	0.796	20	50		GCGDMO
Cc1[nH+]ccn1CCCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822477121	946100312	/nfs/dbraw/zinc/10/03/12/946100312.db2.gz	GWFBASOJFOGQQN-UHFFFAOYSA-N	1	1	383.416	0.796	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997103	946256543	/nfs/dbraw/zinc/25/65/43/946256543.db2.gz	NAQZLHWDOPWEKZ-HNAYVOBHSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997103	946256550	/nfs/dbraw/zinc/25/65/50/946256550.db2.gz	NAQZLHWDOPWEKZ-HNAYVOBHSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996845	946256978	/nfs/dbraw/zinc/25/69/78/946256978.db2.gz	KJBXKYUHYHWACW-LJQANCHMSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996845	946256992	/nfs/dbraw/zinc/25/69/92/946256992.db2.gz	KJBXKYUHYHWACW-LJQANCHMSA-N	1	1	399.455	0.520	20	50		GCGDMO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cncc(F)c1	ZINC000824563454	946802408	/nfs/dbraw/zinc/80/24/08/946802408.db2.gz	OSGAYSLZQFRZBY-SNVBAGLBSA-N	1	1	384.375	0.513	20	50		GCGDMO
C[N@H+]1CCCC12CCN(CC(=O)NNC(=O)c1ccc(-c3nn[nH]n3)cc1)CC2	ZINC000826033729	947413945	/nfs/dbraw/zinc/41/39/45/947413945.db2.gz	IPKFLDAFSPQPNK-UHFFFAOYSA-N	1	1	398.471	0.188	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235145	947689709	/nfs/dbraw/zinc/68/97/09/947689709.db2.gz	CQEPERRQZFABIO-OQLLNIDSSA-N	1	1	398.471	0.336	20	50		GCGDMO
O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410151	948245473	/nfs/dbraw/zinc/24/54/73/948245473.db2.gz	DQCIPPCMSLNSSY-MRXNPFEDSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410150	948245903	/nfs/dbraw/zinc/24/59/03/948245903.db2.gz	DQCIPPCMSLNSSY-INIZCTEOSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000826446368	607343601	/nfs/dbraw/zinc/34/36/01/607343601.db2.gz	IZZRHFNGEFOZOC-LJQANCHMSA-N	1	1	379.424	0.947	20	50		GCGDMO
C[NH+]1CCN(c2ncc(C=NNC(=O)c3cccc(-c4nn[nH]n4)c3)cn2)CC1	ZINC000826045328	607888689	/nfs/dbraw/zinc/88/86/89/607888689.db2.gz	UXOUAHLRDKNRPJ-UHFFFAOYSA-N	1	1	392.427	0.172	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000558	607923199	/nfs/dbraw/zinc/92/31/99/607923199.db2.gz	SJZKMBVULWSFKL-CJNGLKHVSA-N	1	1	398.471	0.186	20	50		GCGDMO
CSCC[C@H](C)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228519	607925748	/nfs/dbraw/zinc/92/57/48/607925748.db2.gz	RMLKQICBWZOQLI-NSHDSACASA-N	1	1	377.474	0.701	20	50		GCGDMO
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000826446452	608171589	/nfs/dbraw/zinc/17/15/89/608171589.db2.gz	MEFPQZWWHIHEJL-ZDUSSCGKSA-N	1	1	396.377	0.719	20	50		GCGDMO
CC[N@H+]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC000825444620	608255973	/nfs/dbraw/zinc/25/59/73/608255973.db2.gz	PGCYEGMUSNRSAR-QWHCGFSZSA-N	1	1	386.460	0.042	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCC[C@@H]1O	ZINC000825892549	609375352	/nfs/dbraw/zinc/37/53/52/609375352.db2.gz	OQXOHHONVFNJQY-CABCVRRESA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCC[C@@H]1O	ZINC000825892549	609375355	/nfs/dbraw/zinc/37/53/55/609375355.db2.gz	OQXOHHONVFNJQY-CABCVRRESA-N	1	1	387.444	0.111	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291135	944788439	/nfs/dbraw/zinc/78/84/39/944788439.db2.gz	DIHWYQKGNZYYEG-WFASDCNBSA-N	1	1	384.444	0.780	20	50		GCGDMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736381528	944813628	/nfs/dbraw/zinc/81/36/28/944813628.db2.gz	IJDANNKHTZNVMM-QOBZYLRHSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568279	944843789	/nfs/dbraw/zinc/84/37/89/944843789.db2.gz	KRAUVBDDCLYMOI-GSHXUFRSSA-N	1	1	384.444	0.258	20	50		GCGDMO
CC[N@H+]1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736568279	944843796	/nfs/dbraw/zinc/84/37/96/944843796.db2.gz	KRAUVBDDCLYMOI-GSHXUFRSSA-N	1	1	384.444	0.258	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc(-c2nn[nH]n2)n1C	ZINC000737211751	944989255	/nfs/dbraw/zinc/98/92/55/944989255.db2.gz	FLECBINJRUREFX-MLPAPPSSSA-N	1	1	394.443	0.537	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211859	944989498	/nfs/dbraw/zinc/98/94/98/944989498.db2.gz	GGWHNROVHKVLAJ-VFPQPWSNSA-N	1	1	396.455	0.400	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NCC[NH+]2CCSCC2)cc(-c2nn[nH]n2)n1C	ZINC000737212756	944994890	/nfs/dbraw/zinc/99/48/90/944994890.db2.gz	MDUGYTPGYWRPTB-NTEUORMPSA-N	1	1	386.485	0.586	20	50		GCGDMO
C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@H]21	ZINC000821625071	945753584	/nfs/dbraw/zinc/75/35/84/945753584.db2.gz	FBRYCWQFZDMJFJ-HZPDHXFCSA-N	1	1	398.471	0.044	20	50		GCGDMO
O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997108	946255884	/nfs/dbraw/zinc/25/58/84/946255884.db2.gz	NEUCAKAUEWSSEW-UHFFFAOYSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCCC2(CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997108	946255896	/nfs/dbraw/zinc/25/58/96/946255896.db2.gz	NEUCAKAUEWSSEW-UHFFFAOYSA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410273	607527551	/nfs/dbraw/zinc/52/75/51/607527551.db2.gz	ISXQFYQOHNSONB-HZPDHXFCSA-N	1	1	399.455	0.376	20	50		GCGDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460514	607716861	/nfs/dbraw/zinc/71/68/61/607716861.db2.gz	ZOMJPVKEYMNQDL-GOEBONIOSA-N	1	1	398.471	0.643	20	50		GCGDMO
O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409620	607921916	/nfs/dbraw/zinc/92/19/16/607921916.db2.gz	HZEWAFMCLANBRR-LBPRGKRZSA-N	1	1	385.428	0.129	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1Cc2ccccc2C1	ZINC000825892610	607921960	/nfs/dbraw/zinc/92/19/60/607921960.db2.gz	PZBNRGFKBLJNNX-UHFFFAOYSA-N	1	1	391.435	0.727	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1Cc2ccccc2C1	ZINC000825892610	607921961	/nfs/dbraw/zinc/92/19/61/607921961.db2.gz	PZBNRGFKBLJNNX-UHFFFAOYSA-N	1	1	391.435	0.727	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034932	607922374	/nfs/dbraw/zinc/92/23/74/607922374.db2.gz	ZIGFNZOLGQNIAB-JKSUJKDBSA-N	1	1	398.471	0.186	20	50		GCGDMO
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154926	607923497	/nfs/dbraw/zinc/92/34/97/607923497.db2.gz	VPCKAIIXUJBVLH-GJZGRUSLSA-N	1	1	387.444	0.253	20	50		GCGDMO
CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154926	607923498	/nfs/dbraw/zinc/92/34/98/607923498.db2.gz	VPCKAIIXUJBVLH-GJZGRUSLSA-N	1	1	387.444	0.253	20	50		GCGDMO
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[C@H]1C[N@H+]2CCN1CCC2	ZINC000826446451	608171327	/nfs/dbraw/zinc/17/13/27/608171327.db2.gz	MEFPQZWWHIHEJL-CYBMUJFWSA-N	1	1	396.377	0.719	20	50		GCGDMO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1	ZINC000824562342	608476105	/nfs/dbraw/zinc/47/61/05/608476105.db2.gz	FXJVPDYAZZALBT-LLVKDONJSA-N	1	1	381.396	0.684	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235634	609393078	/nfs/dbraw/zinc/39/30/78/609393078.db2.gz	NSGGKLLKNFAWNE-XNTDXEJSSA-N	1	1	398.471	0.336	20	50		GCGDMO
O=C(C[NH2+][C@@H](CO)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412430	609425276	/nfs/dbraw/zinc/42/52/76/609425276.db2.gz	NSJSYIGFUAVFLY-HNNXBMFYSA-N	1	1	399.386	0.090	20	50		GCGDMO
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000819865369	945299812	/nfs/dbraw/zinc/29/98/12/945299812.db2.gz	DAEVVHHARWXPBQ-SNVBAGLBSA-N	1	1	398.393	0.965	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859910	944900010	/nfs/dbraw/zinc/90/00/10/944900010.db2.gz	KAVAIXHOKUIDBB-LSDHHAIUSA-N	1	1	384.444	0.780	20	50		GCGDMO
C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C	ZINC000820657712	945510848	/nfs/dbraw/zinc/51/08/48/945510848.db2.gz	MIWUWVLHKVLGSA-WCQYABFASA-N	1	1	388.432	0.059	20	50		GCGDMO
CCOC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821369385	945683643	/nfs/dbraw/zinc/68/36/43/945683643.db2.gz	ZYZPHSJRDHFTNZ-CYBMUJFWSA-N	1	1	387.444	0.376	20	50		GCGDMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821369385	945683651	/nfs/dbraw/zinc/68/36/51/945683651.db2.gz	ZYZPHSJRDHFTNZ-CYBMUJFWSA-N	1	1	387.444	0.376	20	50		GCGDMO
C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@H]21	ZINC000821625072	945752786	/nfs/dbraw/zinc/75/27/86/945752786.db2.gz	FBRYCWQFZDMJFJ-JKSUJKDBSA-N	1	1	398.471	0.044	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410274	607528143	/nfs/dbraw/zinc/52/81/43/607528143.db2.gz	ISXQFYQOHNSONB-JKSUJKDBSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410172	607859211	/nfs/dbraw/zinc/85/92/11/607859211.db2.gz	FLWCLTFIPYYRLQ-INIZCTEOSA-N	1	1	399.455	0.376	20	50		GCGDMO
C#CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1	ZINC000823844571	607920975	/nfs/dbraw/zinc/92/09/75/607920975.db2.gz	BKIMVEZEMPIRRK-UHFFFAOYSA-N	1	1	381.440	0.896	20	50		GCGDMO
C#CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1	ZINC000823844571	607920976	/nfs/dbraw/zinc/92/09/76/607920976.db2.gz	BKIMVEZEMPIRRK-UHFFFAOYSA-N	1	1	381.440	0.896	20	50		GCGDMO
C[C@](CO)([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000824437143	607922089	/nfs/dbraw/zinc/92/20/89/607922089.db2.gz	YVLYPQSNTGUFHP-LJQANCHMSA-N	1	1	395.423	0.125	20	50		GCGDMO
CC[N@H+](CCc1ccccn1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825428147	607924403	/nfs/dbraw/zinc/92/44/03/607924403.db2.gz	DFDYJZLYKKYUFC-UHFFFAOYSA-N	1	1	394.439	0.587	20	50		GCGDMO
CC[N@@H+](CCc1ccccn1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825428147	607924404	/nfs/dbraw/zinc/92/44/04/607924404.db2.gz	DFDYJZLYKKYUFC-UHFFFAOYSA-N	1	1	394.439	0.587	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410807	607924541	/nfs/dbraw/zinc/92/45/41/607924541.db2.gz	ZENRJJBPQXYSAX-GJZGRUSLSA-N	1	1	385.428	0.129	20	50		GCGDMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000825119499	607994566	/nfs/dbraw/zinc/99/45/66/607994566.db2.gz	DCCZGCUISYOYKI-QOBZYLRHSA-N	1	1	398.471	0.336	20	50		GCGDMO
C[N@@H+](CCCI)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825918545	609295171	/nfs/dbraw/zinc/29/51/71/609295171.db2.gz	GOAWWMKHDWOBCR-UHFFFAOYSA-N	1	1	390.233	0.862	20	50		GCGDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000736747070	944881725	/nfs/dbraw/zinc/88/17/25/944881725.db2.gz	MXZJAEOYVJRXJI-UHFFFAOYSA-N	1	1	387.448	0.045	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1	ZINC000736762544	944885129	/nfs/dbraw/zinc/88/51/29/944885129.db2.gz	ITMUVASHUZZLLG-UHFFFAOYSA-N	1	1	395.423	0.768	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1	ZINC000736765431	944885281	/nfs/dbraw/zinc/88/52/81/944885281.db2.gz	WQKOBIDHJWZGKM-UHFFFAOYSA-N	1	1	382.384	0.377	20	50		GCGDMO
COCC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C	ZINC000737002462	944929759	/nfs/dbraw/zinc/92/97/59/944929759.db2.gz	BJZFPIITAQPBRE-BPKVKKHESA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C	ZINC000737002462	944929771	/nfs/dbraw/zinc/92/97/71/944929771.db2.gz	BJZFPIITAQPBRE-BPKVKKHESA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007323	944931506	/nfs/dbraw/zinc/93/15/06/944931506.db2.gz	LUSWVEZASWJZCP-HTRKUNOGSA-N	1	1	398.471	0.648	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212524	944992676	/nfs/dbraw/zinc/99/26/76/944992676.db2.gz	KOJCJRZLPNXDBJ-GGKDNFRLSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212524	944992680	/nfs/dbraw/zinc/99/26/80/944992680.db2.gz	KOJCJRZLPNXDBJ-GGKDNFRLSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212522	944993643	/nfs/dbraw/zinc/99/36/43/944993643.db2.gz	KOJCJRZLPNXDBJ-FGDDQOBJSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212522	944993648	/nfs/dbraw/zinc/99/36/48/944993648.db2.gz	KOJCJRZLPNXDBJ-FGDDQOBJSA-N	1	1	398.471	0.334	20	50		GCGDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821087491	945630262	/nfs/dbraw/zinc/63/02/62/945630262.db2.gz	BTPMIPJHSFVWPY-ZDUSSCGKSA-N	1	1	386.460	0.885	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O	ZINC000821593851	945733212	/nfs/dbraw/zinc/73/32/12/945733212.db2.gz	MVBADRZSFGOUPE-UHFFFAOYSA-N	1	1	381.396	0.465	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O	ZINC000821593851	945733218	/nfs/dbraw/zinc/73/32/18/945733218.db2.gz	MVBADRZSFGOUPE-UHFFFAOYSA-N	1	1	381.396	0.465	20	50		GCGDMO
NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000822860136	946204933	/nfs/dbraw/zinc/20/49/33/946204933.db2.gz	NSRBFRAICYUCCF-ZDUSSCGKSA-N	1	1	387.448	0.080	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997100	946256474	/nfs/dbraw/zinc/25/64/74/946256474.db2.gz	NAQZLHWDOPWEKZ-BEFAXECRSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997100	946256484	/nfs/dbraw/zinc/25/64/84/946256484.db2.gz	NAQZLHWDOPWEKZ-BEFAXECRSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996782	946256658	/nfs/dbraw/zinc/25/66/58/946256658.db2.gz	JCBFVXCIUGLASM-DNVCBOLYSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996782	946256665	/nfs/dbraw/zinc/25/66/65/946256665.db2.gz	JCBFVXCIUGLASM-DNVCBOLYSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996784	946256867	/nfs/dbraw/zinc/25/68/67/946256867.db2.gz	JCBFVXCIUGLASM-HNAYVOBHSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996784	946256877	/nfs/dbraw/zinc/25/68/77/946256877.db2.gz	JCBFVXCIUGLASM-HNAYVOBHSA-N	1	1	399.455	0.255	20	50		GCGDMO
C[NH+]1CCN(c2cc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)ccn2)CC1	ZINC000826038311	607347977	/nfs/dbraw/zinc/34/79/77/607347977.db2.gz	JIYNIIDQJJPBPA-UHFFFAOYSA-N	1	1	379.428	0.770	20	50		GCGDMO
Cc1[nH+]ccn1CCCN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826330905	607565056	/nfs/dbraw/zinc/56/50/56/607565056.db2.gz	NDHQQLWUUYSJOX-UHFFFAOYSA-N	1	1	383.416	0.748	20	50		GCGDMO
C[NH+]1CCN(c2ncc(C=NNC(=O)c3ccc(-c4nn[nH]n4)cc3)cn2)CC1	ZINC000826045228	607887646	/nfs/dbraw/zinc/88/76/46/607887646.db2.gz	SAYMLMAUKCIBTL-UHFFFAOYSA-N	1	1	392.427	0.172	20	50		GCGDMO
C[C@@](CO)([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000824437141	607922123	/nfs/dbraw/zinc/92/21/23/607922123.db2.gz	YVLYPQSNTGUFHP-IBGZPJMESA-N	1	1	395.423	0.125	20	50		GCGDMO
CCC1(CO)CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000825172044	608172657	/nfs/dbraw/zinc/17/26/57/608172657.db2.gz	ZSERIXAOWJMIDE-UHFFFAOYSA-N	1	1	387.444	0.112	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]1C1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410226	609283782	/nfs/dbraw/zinc/28/37/82/609283782.db2.gz	GYJIHZUSTUKJSN-MRXNPFEDSA-N	1	1	399.455	0.519	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCC[C@H]1O	ZINC000825892661	609375346	/nfs/dbraw/zinc/37/53/46/609375346.db2.gz	RQWILSCZCMROQE-LSDHHAIUSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCC[C@H]1O	ZINC000825892661	609375348	/nfs/dbraw/zinc/37/53/48/609375348.db2.gz	RQWILSCZCMROQE-LSDHHAIUSA-N	1	1	387.444	0.111	20	50		GCGDMO
CCCC[N@@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736454437	944825121	/nfs/dbraw/zinc/82/51/21/944825121.db2.gz	ZDCYSPNGJDNYDW-UHFFFAOYSA-N	1	1	390.448	0.308	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000736764368	944886229	/nfs/dbraw/zinc/88/62/29/944886229.db2.gz	PVSXPUROKAIPQE-UHFFFAOYSA-N	1	1	380.412	0.933	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000736761369	944886557	/nfs/dbraw/zinc/88/65/57/944886557.db2.gz	DTWDLXFMHSCJFR-UHFFFAOYSA-N	1	1	381.396	0.982	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212527	944993141	/nfs/dbraw/zinc/99/31/41/944993141.db2.gz	KOJCJRZLPNXDBJ-WPJXSRQUSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212527	944993148	/nfs/dbraw/zinc/99/31/48/944993148.db2.gz	KOJCJRZLPNXDBJ-WPJXSRQUSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737213930	945010528	/nfs/dbraw/zinc/01/05/28/945010528.db2.gz	ZARNPKGKTVXXBK-TUTDSIAXSA-N	1	1	398.471	0.505	20	50		GCGDMO
C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C	ZINC000820657710	945512074	/nfs/dbraw/zinc/51/20/74/945512074.db2.gz	MIWUWVLHKVLGSA-DGCLKSJQSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C	ZINC000824884094	946972389	/nfs/dbraw/zinc/97/23/89/946972389.db2.gz	LJEQXRFKWFVQPA-WFASDCNBSA-N	1	1	386.460	0.042	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410349	607527854	/nfs/dbraw/zinc/52/78/54/607527854.db2.gz	KQRGAIDNLYMXOR-JKSUJKDBSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000826447533	607717605	/nfs/dbraw/zinc/71/76/05/607717605.db2.gz	KIQZWCHROHTQQE-IBGZPJMESA-N	1	1	379.424	0.947	20	50		GCGDMO
COCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	ZINC000826157706	607921747	/nfs/dbraw/zinc/92/17/47/607921747.db2.gz	HVQBRVVQLFQTBE-UHFFFAOYSA-N	1	1	375.433	0.232	20	50		GCGDMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826044154	607939975	/nfs/dbraw/zinc/93/99/75/607939975.db2.gz	AFCLXGUMWWIRJZ-MRXNPFEDSA-N	1	1	392.423	0.997	20	50		GCGDMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826044154	607939976	/nfs/dbraw/zinc/93/99/76/607939976.db2.gz	AFCLXGUMWWIRJZ-MRXNPFEDSA-N	1	1	392.423	0.997	20	50		GCGDMO
O=C(C[NH+]1CCC2(CCOC2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410608	608042212	/nfs/dbraw/zinc/04/22/12/608042212.db2.gz	SFICWSPQSDJVIK-UHFFFAOYSA-N	1	1	385.428	0.130	20	50		GCGDMO
COC[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000826150693	608477879	/nfs/dbraw/zinc/47/78/79/608477879.db2.gz	JUAZIUGJUMOEKZ-MRXNPFEDSA-N	1	1	395.423	0.605	20	50		GCGDMO
CCCC[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736452672	944825692	/nfs/dbraw/zinc/82/56/92/944825692.db2.gz	HJCUVJULSXLMPO-UHFFFAOYSA-N	1	1	390.448	0.308	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211849	944988510	/nfs/dbraw/zinc/98/85/10/944988510.db2.gz	GGWHNROVHKVLAJ-ILYXUJSMSA-N	1	1	396.455	0.400	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737213928	945010803	/nfs/dbraw/zinc/01/08/03/945010803.db2.gz	ZARNPKGKTVXXBK-KHAFMBKQSA-N	1	1	398.471	0.505	20	50		GCGDMO
C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@H+]1C	ZINC000820657927	945511678	/nfs/dbraw/zinc/51/16/78/945511678.db2.gz	NLJJZLHQDMMGBJ-VXGBXAGGSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC000821625069	945753782	/nfs/dbraw/zinc/75/37/82/945753782.db2.gz	FBRYCWQFZDMJFJ-CVEARBPZSA-N	1	1	398.471	0.044	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027486	945933967	/nfs/dbraw/zinc/93/39/67/945933967.db2.gz	HHKZSRQNFCUHAT-GEBRQLOPSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027486	945933980	/nfs/dbraw/zinc/93/39/80/945933980.db2.gz	HHKZSRQNFCUHAT-GEBRQLOPSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)OCCC[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027848	945936742	/nfs/dbraw/zinc/93/67/42/945936742.db2.gz	JZPLTBCGBNDCNE-GDNBJRDFSA-N	1	1	385.428	0.686	20	50		GCGDMO
O=C(C[N@H+]1CCC2(C1)CCOCC2)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997895	946258655	/nfs/dbraw/zinc/25/86/55/946258655.db2.gz	XBKXIISVSOUNOA-UHFFFAOYSA-N	1	1	385.428	0.130	20	50		GCGDMO
O=C(C[NH+]1CCc2ccccc2CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823002340	946261901	/nfs/dbraw/zinc/26/19/01/946261901.db2.gz	WVGYLSPTLZEQOU-UHFFFAOYSA-N	1	1	391.435	0.729	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410272	607528114	/nfs/dbraw/zinc/52/81/14/607528114.db2.gz	ISXQFYQOHNSONB-HOTGVXAUSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000826447534	607717581	/nfs/dbraw/zinc/71/75/81/607717581.db2.gz	KIQZWCHROHTQQE-LJQANCHMSA-N	1	1	379.424	0.947	20	50		GCGDMO
CCCCC[N@H+](CCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825276114	607922350	/nfs/dbraw/zinc/92/23/50/607922350.db2.gz	QBIQQVPDWZKCJO-UHFFFAOYSA-N	1	1	375.433	0.112	20	50		GCGDMO
CCCCC[N@@H+](CCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825276114	607922351	/nfs/dbraw/zinc/92/23/51/607922351.db2.gz	QBIQQVPDWZKCJO-UHFFFAOYSA-N	1	1	375.433	0.112	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034929	607922726	/nfs/dbraw/zinc/92/27/26/607922726.db2.gz	ZIGFNZOLGQNIAB-CVEARBPZSA-N	1	1	398.471	0.186	20	50		GCGDMO
CC[C@H](CO)[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000825119496	607994724	/nfs/dbraw/zinc/99/47/24/607994724.db2.gz	DCCZGCUISYOYKI-HTRKUNOGSA-N	1	1	398.471	0.336	20	50		GCGDMO
CCCC[N@@H+](CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825285090	608562509	/nfs/dbraw/zinc/56/25/09/608562509.db2.gz	JCHBKVYHECQYSW-UHFFFAOYSA-N	1	1	375.433	0.112	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCC[C@H]1O	ZINC000825892659	609375574	/nfs/dbraw/zinc/37/55/74/609375574.db2.gz	RQWILSCZCMROQE-HUUCEWRRSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCC[C@H]1O	ZINC000825892659	609375577	/nfs/dbraw/zinc/37/55/77/609375577.db2.gz	RQWILSCZCMROQE-HUUCEWRRSA-N	1	1	387.444	0.111	20	50		GCGDMO
Cc1[nH+]ccn1CCCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000737501952	945083202	/nfs/dbraw/zinc/08/32/02/945083202.db2.gz	XESMEKRKEBPUSH-UHFFFAOYSA-N	1	1	384.400	0.378	20	50		GCGDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000820093022	945350577	/nfs/dbraw/zinc/35/05/77/945350577.db2.gz	RPAAPOFBZQTKET-CYBMUJFWSA-N	1	1	386.460	0.789	20	50		GCGDMO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](C)C1	ZINC000736263971	944782088	/nfs/dbraw/zinc/78/20/88/944782088.db2.gz	AFPOGEBDCIZKDX-STQMWFEESA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1	ZINC000736287397	944786452	/nfs/dbraw/zinc/78/64/52/944786452.db2.gz	OVKZSQBSMPHNNG-BETUJISGSA-N	1	1	387.444	0.056	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295455	944788564	/nfs/dbraw/zinc/78/85/64/944788564.db2.gz	UZZHTLKDLWGUGO-DOMZBBRYSA-N	1	1	384.444	0.780	20	50		GCGDMO
C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736760140	944883567	/nfs/dbraw/zinc/88/35/67/944883567.db2.gz	PRLBVXSLJLXRCL-INIZCTEOSA-N	1	1	379.424	0.801	20	50		GCGDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007327	944932162	/nfs/dbraw/zinc/93/21/62/944932162.db2.gz	LUSWVEZASWJZCP-LRQZKABGSA-N	1	1	398.471	0.648	20	50		GCGDMO
C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@H+]1C	ZINC000820657925	945511652	/nfs/dbraw/zinc/51/16/52/945511652.db2.gz	NLJJZLHQDMMGBJ-RYUDHWBXSA-N	1	1	388.432	0.059	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)OCCC[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027851	945937033	/nfs/dbraw/zinc/93/70/33/945937033.db2.gz	JZPLTBCGBNDCNE-XNTDXEJSSA-N	1	1	385.428	0.686	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997106	946256027	/nfs/dbraw/zinc/25/60/27/946256027.db2.gz	NAQZLHWDOPWEKZ-KXBFYZLASA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997106	946256041	/nfs/dbraw/zinc/25/60/41/946256041.db2.gz	NAQZLHWDOPWEKZ-KXBFYZLASA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997320	946256330	/nfs/dbraw/zinc/25/63/30/946256330.db2.gz	PBWWVMMTQWQYBU-IBGZPJMESA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997320	946256342	/nfs/dbraw/zinc/25/63/42/946256342.db2.gz	PBWWVMMTQWQYBU-IBGZPJMESA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997814	946259337	/nfs/dbraw/zinc/25/93/37/946259337.db2.gz	VMTWRKWHUQRAFK-CQSZACIVSA-N	1	1	395.427	0.230	20	50		GCGDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458307	607342995	/nfs/dbraw/zinc/34/29/95/607342995.db2.gz	CBALWQZAJXAFPN-GDBMZVCRSA-N	1	1	398.471	0.643	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410348	607527709	/nfs/dbraw/zinc/52/77/09/607527709.db2.gz	KQRGAIDNLYMXOR-HZPDHXFCSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409619	607921223	/nfs/dbraw/zinc/92/12/23/607921223.db2.gz	HZEWAFMCLANBRR-GFCCVEGCSA-N	1	1	385.428	0.129	20	50		GCGDMO
CC(C)[N@H+]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824300470	607922035	/nfs/dbraw/zinc/92/20/35/607922035.db2.gz	HOAZSTJMIQCMSI-UHFFFAOYSA-N	1	1	386.460	0.044	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000557	607923170	/nfs/dbraw/zinc/92/31/70/607923170.db2.gz	SJZKMBVULWSFKL-BBRMVZONSA-N	1	1	398.471	0.186	20	50		GCGDMO
CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154928	607923416	/nfs/dbraw/zinc/92/34/16/607923416.db2.gz	VPCKAIIXUJBVLH-LSDHHAIUSA-N	1	1	387.444	0.253	20	50		GCGDMO
CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154928	607923417	/nfs/dbraw/zinc/92/34/17/607923417.db2.gz	VPCKAIIXUJBVLH-LSDHHAIUSA-N	1	1	387.444	0.253	20	50		GCGDMO
O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410432	609608288	/nfs/dbraw/zinc/60/82/88/609608288.db2.gz	NAEPDTGYYYTNGI-MRXNPFEDSA-N	1	1	399.455	0.376	20	50		GCGDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264004	944782134	/nfs/dbraw/zinc/78/21/34/944782134.db2.gz	AWJRIHUTUKYFFR-CHWSQXEVSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000736263969	944782772	/nfs/dbraw/zinc/78/27/72/944782772.db2.gz	AFPOGEBDCIZKDX-OLZOCXBDSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291132	944788730	/nfs/dbraw/zinc/78/87/30/944788730.db2.gz	DIHWYQKGNZYYEG-DOMZBBRYSA-N	1	1	384.444	0.780	20	50		GCGDMO
CCC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000736304837	944793543	/nfs/dbraw/zinc/79/35/43/944793543.db2.gz	RBDOKQQFBOKOKH-CYBMUJFWSA-N	1	1	386.460	0.325	20	50		GCGDMO
CCC(=O)NNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000736304837	944793552	/nfs/dbraw/zinc/79/35/52/944793552.db2.gz	RBDOKQQFBOKOKH-CYBMUJFWSA-N	1	1	386.460	0.325	20	50		GCGDMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736381527	944812987	/nfs/dbraw/zinc/81/29/87/944812987.db2.gz	IJDANNKHTZNVMM-LRQZKABGSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[N@@H+](CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C	ZINC000736537472	944841375	/nfs/dbraw/zinc/84/13/75/944841375.db2.gz	SLEXWUZGPOCXLY-UHFFFAOYSA-N	1	1	390.448	0.306	20	50		GCGDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853712	944899773	/nfs/dbraw/zinc/89/97/73/944899773.db2.gz	ZTTMCSOSJBBUQQ-HNNXBMFYSA-N	1	1	385.476	0.661	20	50		GCGDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853712	944899776	/nfs/dbraw/zinc/89/97/76/944899776.db2.gz	ZTTMCSOSJBBUQQ-HNNXBMFYSA-N	1	1	385.476	0.661	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859907	944901222	/nfs/dbraw/zinc/90/12/22/944901222.db2.gz	KAVAIXHOKUIDBB-CABCVRRESA-N	1	1	384.444	0.780	20	50		GCGDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821087814	945632825	/nfs/dbraw/zinc/63/28/25/945632825.db2.gz	GOHMMSHWUWAXFG-ZDUSSCGKSA-N	1	1	386.460	0.885	20	50		GCGDMO
CCOC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821368697	945684157	/nfs/dbraw/zinc/68/41/57/945684157.db2.gz	UWVRVAVRTIORDI-ZDUSSCGKSA-N	1	1	387.444	0.376	20	50		GCGDMO
CCOC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821368697	945684162	/nfs/dbraw/zinc/68/41/62/945684162.db2.gz	UWVRVAVRTIORDI-ZDUSSCGKSA-N	1	1	387.444	0.376	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027488	945934697	/nfs/dbraw/zinc/93/46/97/945934697.db2.gz	HHKZSRQNFCUHAT-VQPUQDIZSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027488	945934701	/nfs/dbraw/zinc/93/47/01/945934701.db2.gz	HHKZSRQNFCUHAT-VQPUQDIZSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822477075	946100373	/nfs/dbraw/zinc/10/03/73/946100373.db2.gz	FRPZXCGRWWKBHI-OAHLLOKOSA-N	1	1	395.427	0.891	20	50		GCGDMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822478014	946101164	/nfs/dbraw/zinc/10/11/64/946101164.db2.gz	OOHRJXUIEUNKLT-OAHLLOKOSA-N	1	1	395.427	0.891	20	50		GCGDMO
O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997638	946259290	/nfs/dbraw/zinc/25/92/90/946259290.db2.gz	TZCMTPXXRLFYSE-CQSZACIVSA-N	1	1	395.427	0.230	20	50		GCGDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458310	607343125	/nfs/dbraw/zinc/34/31/25/607343125.db2.gz	CBALWQZAJXAFPN-GOEBONIOSA-N	1	1	398.471	0.643	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000560	607923295	/nfs/dbraw/zinc/92/32/95/607923295.db2.gz	SJZKMBVULWSFKL-XJKSGUPXSA-N	1	1	398.471	0.186	20	50		GCGDMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826044487	607940071	/nfs/dbraw/zinc/94/00/71/607940071.db2.gz	GGAMMTCWQJDOJH-MRXNPFEDSA-N	1	1	392.423	0.997	20	50		GCGDMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826044487	607940072	/nfs/dbraw/zinc/94/00/72/607940072.db2.gz	GGAMMTCWQJDOJH-MRXNPFEDSA-N	1	1	392.423	0.997	20	50		GCGDMO
CC[C@@H](CSC)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122180	608325052	/nfs/dbraw/zinc/32/50/52/608325052.db2.gz	XUMKLTNKSBIFBL-ZDUSSCGKSA-N	1	1	377.474	0.701	20	50		GCGDMO
CCCC[N@@H+](CCCO)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825285157	608562227	/nfs/dbraw/zinc/56/22/27/608562227.db2.gz	LLZQMVXHLZVHFX-UHFFFAOYSA-N	1	1	375.433	0.112	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295463	944788372	/nfs/dbraw/zinc/78/83/72/944788372.db2.gz	UZZHTLKDLWGUGO-WFASDCNBSA-N	1	1	384.444	0.780	20	50		GCGDMO
CC[N@@H+](CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000736537147	944841298	/nfs/dbraw/zinc/84/12/98/944841298.db2.gz	RNCSNOYQELDIEU-UHFFFAOYSA-N	1	1	388.432	0.060	20	50		GCGDMO
C[NH+](C)[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccco1	ZINC000736759702	944882928	/nfs/dbraw/zinc/88/29/28/944882928.db2.gz	OHBLLZZYSVQTII-CYBMUJFWSA-N	1	1	384.400	0.707	20	50		GCGDMO
C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccco1	ZINC000736759705	944883515	/nfs/dbraw/zinc/88/35/15/944883515.db2.gz	OHBLLZZYSVQTII-ZDUSSCGKSA-N	1	1	384.400	0.707	20	50		GCGDMO
C[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1	ZINC000736801184	944893698	/nfs/dbraw/zinc/89/36/98/944893698.db2.gz	SYJJQJKGOZSKRX-UHFFFAOYSA-N	1	1	394.439	0.943	20	50		GCGDMO
COCC[N@H+]1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007565	944930516	/nfs/dbraw/zinc/93/05/16/944930516.db2.gz	MWZAYDUNUQSZAQ-UJMHRVFCSA-N	1	1	384.444	0.258	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NCC[NH+]2CCSCC2)cc(-c2nn[nH]n2)n1C	ZINC000737212758	944994902	/nfs/dbraw/zinc/99/49/02/944994902.db2.gz	MDUGYTPGYWRPTB-ZROIWOOFSA-N	1	1	386.485	0.586	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737213931	945011750	/nfs/dbraw/zinc/01/17/50/945011750.db2.gz	ZARNPKGKTVXXBK-WJHGTXIHSA-N	1	1	398.471	0.505	20	50		GCGDMO
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@H+]1C	ZINC000820657923	945510514	/nfs/dbraw/zinc/51/05/14/945510514.db2.gz	NLJJZLHQDMMGBJ-NEPJUHHUSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C	ZINC000820657714	945511958	/nfs/dbraw/zinc/51/19/58/945511958.db2.gz	MIWUWVLHKVLGSA-YPMHNXCESA-N	1	1	388.432	0.059	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O	ZINC000821594062	945731804	/nfs/dbraw/zinc/73/18/04/945731804.db2.gz	XAPMJADTNUXRCD-UHFFFAOYSA-N	1	1	381.396	0.465	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O	ZINC000821594062	945731808	/nfs/dbraw/zinc/73/18/08/945731808.db2.gz	XAPMJADTNUXRCD-UHFFFAOYSA-N	1	1	381.396	0.465	20	50		GCGDMO
O=C(C[N@H+]1CCC2(C1)CCOCC2)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997109	946255763	/nfs/dbraw/zinc/25/57/63/946255763.db2.gz	NGDFSHVDQJNCIR-UHFFFAOYSA-N	1	1	385.428	0.130	20	50		GCGDMO
O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996844	946257702	/nfs/dbraw/zinc/25/77/02/946257702.db2.gz	KJBXKYUHYHWACW-IBGZPJMESA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996844	946257716	/nfs/dbraw/zinc/25/77/16/946257716.db2.gz	KJBXKYUHYHWACW-IBGZPJMESA-N	1	1	399.455	0.520	20	50		GCGDMO
O=C(C[NH+]1CCC(CCCO)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410384	948247054	/nfs/dbraw/zinc/24/70/54/948247054.db2.gz	LMIJGUDKEAGRCS-UHFFFAOYSA-N	1	1	387.444	0.112	20	50		GCGDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458315	607342907	/nfs/dbraw/zinc/34/29/07/607342907.db2.gz	CBALWQZAJXAFPN-ZBFHGGJFSA-N	1	1	398.471	0.643	20	50		GCGDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460515	607717102	/nfs/dbraw/zinc/71/71/02/607717102.db2.gz	ZOMJPVKEYMNQDL-HOCLYGCPSA-N	1	1	398.471	0.643	20	50		GCGDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825451167	607924433	/nfs/dbraw/zinc/92/44/33/607924433.db2.gz	GXBAUNPOCIITPK-CVEARBPZSA-N	1	1	398.471	0.186	20	50		GCGDMO
CSC[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228332	607924471	/nfs/dbraw/zinc/92/44/71/607924471.db2.gz	LVYGHKRMVCIWGA-ZDUSSCGKSA-N	1	1	375.458	0.455	20	50		GCGDMO
CSC[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228332	607924472	/nfs/dbraw/zinc/92/44/72/607924472.db2.gz	LVYGHKRMVCIWGA-ZDUSSCGKSA-N	1	1	375.458	0.455	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410809	607924916	/nfs/dbraw/zinc/92/49/16/607924916.db2.gz	ZENRJJBPQXYSAX-LSDHHAIUSA-N	1	1	385.428	0.129	20	50		GCGDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000825119501	607994550	/nfs/dbraw/zinc/99/45/50/607994550.db2.gz	DCCZGCUISYOYKI-TYWAAFNRSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000825119497	607994779	/nfs/dbraw/zinc/99/47/79/607994779.db2.gz	DCCZGCUISYOYKI-LRQZKABGSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[N@H+]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC000825444619	608255827	/nfs/dbraw/zinc/25/58/27/608255827.db2.gz	PGCYEGMUSNRSAR-OLZOCXBDSA-N	1	1	386.460	0.042	20	50		GCGDMO
COc1ccccc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826219287	608422388	/nfs/dbraw/zinc/42/23/88/608422388.db2.gz	XMKSUUUWKYVCNX-GFCCVEGCSA-N	1	1	395.423	0.987	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCC[C@@H]1O	ZINC000825892657	609375885	/nfs/dbraw/zinc/37/58/85/609375885.db2.gz	RQWILSCZCMROQE-CABCVRRESA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCC[C@@H]1O	ZINC000825892657	609375887	/nfs/dbraw/zinc/37/58/87/609375887.db2.gz	RQWILSCZCMROQE-CABCVRRESA-N	1	1	387.444	0.111	20	50		GCGDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737501236	945085060	/nfs/dbraw/zinc/08/50/60/945085060.db2.gz	TXFQKOSCKWJDSQ-LLVKDONJSA-N	1	1	383.416	0.652	20	50		GCGDMO
C[C@@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC1	ZINC000736017440	944732142	/nfs/dbraw/zinc/73/21/42/944732142.db2.gz	NNTYYXDDURWAJJ-NSHDSACASA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291134	944788540	/nfs/dbraw/zinc/78/85/40/944788540.db2.gz	DIHWYQKGNZYYEG-SWLSCSKDSA-N	1	1	384.444	0.780	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295457	944790183	/nfs/dbraw/zinc/79/01/83/944790183.db2.gz	UZZHTLKDLWGUGO-IUODEOHRSA-N	1	1	384.444	0.780	20	50		GCGDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736323202	944801391	/nfs/dbraw/zinc/80/13/91/944801391.db2.gz	VUSMUZUSWSFVJD-LBPRGKRZSA-N	1	1	390.448	0.306	20	50		GCGDMO
C[NH+](C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736760142	944883256	/nfs/dbraw/zinc/88/32/56/944883256.db2.gz	PRLBVXSLJLXRCL-MRXNPFEDSA-N	1	1	379.424	0.801	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000736763540	944886875	/nfs/dbraw/zinc/88/68/75/944886875.db2.gz	MDRMDAFDOMAUQN-UHFFFAOYSA-N	1	1	395.423	0.768	20	50		GCGDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853715	944900183	/nfs/dbraw/zinc/90/01/83/944900183.db2.gz	ZTTMCSOSJBBUQQ-OAHLLOKOSA-N	1	1	385.476	0.661	20	50		GCGDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853715	944900186	/nfs/dbraw/zinc/90/01/86/944900186.db2.gz	ZTTMCSOSJBBUQQ-OAHLLOKOSA-N	1	1	385.476	0.661	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859948	944901896	/nfs/dbraw/zinc/90/18/96/944901896.db2.gz	KNUWJVKKAIRBIQ-HUUCEWRRSA-N	1	1	384.444	0.780	20	50		GCGDMO
COCC[N@H+]1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007560	944930391	/nfs/dbraw/zinc/93/03/91/944930391.db2.gz	MWZAYDUNUQSZAQ-NHXNDTTKSA-N	1	1	384.444	0.258	20	50		GCGDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007334	944930635	/nfs/dbraw/zinc/93/06/35/944930635.db2.gz	LUSWVEZASWJZCP-TYWAAFNRSA-N	1	1	398.471	0.648	20	50		GCGDMO
COCC[N@H+]1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007558	944931927	/nfs/dbraw/zinc/93/19/27/944931927.db2.gz	MWZAYDUNUQSZAQ-CKNOQMABSA-N	1	1	384.444	0.258	20	50		GCGDMO
C[N@@H+](CCC1CCOCC1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821599110	945735608	/nfs/dbraw/zinc/73/56/08/945735608.db2.gz	GDMGRQJDWRTWPC-UHFFFAOYSA-N	1	1	387.444	0.376	20	50		GCGDMO
C[N@H+](CCc1cccs1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821607227	945740943	/nfs/dbraw/zinc/74/09/43/945740943.db2.gz	FAMDPGHHNDVYQF-UHFFFAOYSA-N	1	1	385.453	0.864	20	50		GCGDMO
C[N@@H+](CCc1cccs1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821607227	945740950	/nfs/dbraw/zinc/74/09/50/945740950.db2.gz	FAMDPGHHNDVYQF-UHFFFAOYSA-N	1	1	385.453	0.864	20	50		GCGDMO
C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC000821625070	945753931	/nfs/dbraw/zinc/75/39/31/945753931.db2.gz	FBRYCWQFZDMJFJ-HOTGVXAUSA-N	1	1	398.471	0.044	20	50		GCGDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822478012	946101319	/nfs/dbraw/zinc/10/13/19/946101319.db2.gz	OOHRJXUIEUNKLT-HNNXBMFYSA-N	1	1	395.427	0.891	20	50		GCGDMO
O=C(CN1CCC(c2[nH]cc[nH+]2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822992239	946251063	/nfs/dbraw/zinc/25/10/63/946251063.db2.gz	KXPGMKGKHCBFEI-UHFFFAOYSA-N	1	1	395.427	0.230	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996787	946255811	/nfs/dbraw/zinc/25/58/11/946255811.db2.gz	JCBFVXCIUGLASM-KXBFYZLASA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996787	946255820	/nfs/dbraw/zinc/25/58/20/946255820.db2.gz	JCBFVXCIUGLASM-KXBFYZLASA-N	1	1	399.455	0.255	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235144	947690297	/nfs/dbraw/zinc/69/02/97/947690297.db2.gz	CQEPERRQZFABIO-DHDCSXOGSA-N	1	1	398.471	0.336	20	50		GCGDMO
O=C(C[NH+]1CCC(CCCO)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410574	948246574	/nfs/dbraw/zinc/24/65/74/948246574.db2.gz	QXHTUYVRQZJMNQ-UHFFFAOYSA-N	1	1	387.444	0.112	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410346	607527543	/nfs/dbraw/zinc/52/75/43/607527543.db2.gz	KQRGAIDNLYMXOR-CVEARBPZSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410441	607859525	/nfs/dbraw/zinc/85/95/25/607859525.db2.gz	NJUGTMXAGHRXGL-MRXNPFEDSA-N	1	1	399.455	0.376	20	50		GCGDMO
CC(C)(C)C[N@@H+](CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824086502	607922048	/nfs/dbraw/zinc/92/20/48/607922048.db2.gz	MPYGKLYPHWHIOD-UHFFFAOYSA-N	1	1	389.460	0.358	20	50		GCGDMO
COCC1(C)CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826152877	608328014	/nfs/dbraw/zinc/32/80/14/608328014.db2.gz	REYPDWSFVXOYED-UHFFFAOYSA-N	1	1	387.444	0.376	20	50		GCGDMO
COc1ccccc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826218919	608422444	/nfs/dbraw/zinc/42/24/44/608422444.db2.gz	OCSFRKGSFNXCAV-GFCCVEGCSA-N	1	1	395.423	0.987	20	50		GCGDMO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1	ZINC000824562343	608475935	/nfs/dbraw/zinc/47/59/35/608475935.db2.gz	FXJVPDYAZZALBT-NSHDSACASA-N	1	1	381.396	0.684	20	50		GCGDMO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(O)c1	ZINC000824564083	608475987	/nfs/dbraw/zinc/47/59/87/608475987.db2.gz	RJYDKXVVCRFORK-LLVKDONJSA-N	1	1	381.396	0.684	20	50		GCGDMO
COC[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000826150692	608477932	/nfs/dbraw/zinc/47/79/32/608477932.db2.gz	JUAZIUGJUMOEKZ-INIZCTEOSA-N	1	1	395.423	0.605	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCC[C@@H]1O	ZINC000825892658	609375977	/nfs/dbraw/zinc/37/59/77/609375977.db2.gz	RQWILSCZCMROQE-GJZGRUSLSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCC[C@@H]1O	ZINC000825892658	609375983	/nfs/dbraw/zinc/37/59/83/609375983.db2.gz	RQWILSCZCMROQE-GJZGRUSLSA-N	1	1	387.444	0.111	20	50		GCGDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000820091814	945350321	/nfs/dbraw/zinc/35/03/21/945350321.db2.gz	AWZQQFUTLLPZQL-CYBMUJFWSA-N	1	1	386.460	0.789	20	50		GCGDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000820093023	945351248	/nfs/dbraw/zinc/35/12/48/945351248.db2.gz	RPAAPOFBZQTKET-ZDUSSCGKSA-N	1	1	386.460	0.789	20	50		GCGDMO
CC[N@@H+](CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)C1CC1	ZINC000736537874	944840281	/nfs/dbraw/zinc/84/02/81/944840281.db2.gz	XZEGTYZZZUKNPU-UHFFFAOYSA-N	1	1	388.432	0.060	20	50		GCGDMO
COCC[N@H+]1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007563	944931154	/nfs/dbraw/zinc/93/11/54/944931154.db2.gz	MWZAYDUNUQSZAQ-OWTLUSIOSA-N	1	1	384.444	0.258	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212525	944992521	/nfs/dbraw/zinc/99/25/21/944992521.db2.gz	KOJCJRZLPNXDBJ-LCNIPZBYSA-N	1	1	398.471	0.334	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212525	944992525	/nfs/dbraw/zinc/99/25/25/944992525.db2.gz	KOJCJRZLPNXDBJ-LCNIPZBYSA-N	1	1	398.471	0.334	20	50		GCGDMO
C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C	ZINC000820657708	945511395	/nfs/dbraw/zinc/51/13/95/945511395.db2.gz	MIWUWVLHKVLGSA-AAEUAGOBSA-N	1	1	388.432	0.059	20	50		GCGDMO
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1	ZINC000820750550	945544771	/nfs/dbraw/zinc/54/47/71/945544771.db2.gz	BRYOLCGOGNQDEX-BETUJISGSA-N	1	1	387.444	0.056	20	50		GCGDMO
CCC[N@@H+](CC)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000821094720	945632724	/nfs/dbraw/zinc/63/27/24/945632724.db2.gz	OWULWOCSJMPYDE-UHFFFAOYSA-N	1	1	390.448	0.308	20	50		GCGDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822477074	946100672	/nfs/dbraw/zinc/10/06/72/946100672.db2.gz	FRPZXCGRWWKBHI-HNNXBMFYSA-N	1	1	395.427	0.891	20	50		GCGDMO
O=C(CN1CCC(c2[nH]cc[nH+]2)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991685	946250000	/nfs/dbraw/zinc/25/00/00/946250000.db2.gz	FGNUEGFRLCKDDG-UHFFFAOYSA-N	1	1	395.427	0.230	20	50		GCGDMO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cncc(F)c1	ZINC000824563682	946800403	/nfs/dbraw/zinc/80/04/03/946800403.db2.gz	PGHSBFFYGFOWIW-SNVBAGLBSA-N	1	1	384.375	0.513	20	50		GCGDMO
C[C@@H]1C[C@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C	ZINC000824884090	946971983	/nfs/dbraw/zinc/97/19/83/946971983.db2.gz	LJEQXRFKWFVQPA-IUODEOHRSA-N	1	1	386.460	0.042	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410806	607924768	/nfs/dbraw/zinc/92/47/68/607924768.db2.gz	ZENRJJBPQXYSAX-CABCVRRESA-N	1	1	385.428	0.129	20	50		GCGDMO
COc1ccccc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826219288	608422334	/nfs/dbraw/zinc/42/23/34/608422334.db2.gz	XMKSUUUWKYVCNX-LBPRGKRZSA-N	1	1	395.423	0.987	20	50		GCGDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000735881936	944710013	/nfs/dbraw/zinc/71/00/13/944710013.db2.gz	LZEKYIOVAAQPIH-CYBMUJFWSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000736263968	944782043	/nfs/dbraw/zinc/78/20/43/944782043.db2.gz	AFPOGEBDCIZKDX-CHWSQXEVSA-N	1	1	386.460	0.931	20	50		GCGDMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736381529	944812509	/nfs/dbraw/zinc/81/25/09/944812509.db2.gz	IJDANNKHTZNVMM-TYWAAFNRSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[N@@H+](CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)C(C)C	ZINC000736537001	944840852	/nfs/dbraw/zinc/84/08/52/944840852.db2.gz	OXCUEIONKHEBEX-UHFFFAOYSA-N	1	1	390.448	0.306	20	50		GCGDMO
C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736763041	944886372	/nfs/dbraw/zinc/88/63/72/944886372.db2.gz	ZSTFZORUWCAXGY-INIZCTEOSA-N	1	1	379.424	0.801	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1	ZINC000736764314	944886612	/nfs/dbraw/zinc/88/66/12/944886612.db2.gz	OYOVBMCEBAGZHQ-UHFFFAOYSA-N	1	1	395.423	0.768	20	50		GCGDMO
C[N@H+](CCc1ccc(F)cc1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821605074	945740449	/nfs/dbraw/zinc/74/04/49/945740449.db2.gz	UHWUESUPVZBYDZ-UHFFFAOYSA-N	1	1	397.414	0.941	20	50		GCGDMO
C[N@@H+](CCc1ccc(F)cc1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821605074	945740457	/nfs/dbraw/zinc/74/04/57/945740457.db2.gz	UHWUESUPVZBYDZ-UHFFFAOYSA-N	1	1	397.414	0.941	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027489	945934289	/nfs/dbraw/zinc/93/42/89/945934289.db2.gz	HHKZSRQNFCUHAT-ZZIXRIHPSA-N	1	1	384.444	0.256	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1C	ZINC000822027489	945934294	/nfs/dbraw/zinc/93/42/94/945934294.db2.gz	HHKZSRQNFCUHAT-ZZIXRIHPSA-N	1	1	384.444	0.256	20	50		GCGDMO
C[C@]1(CCCO)CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818165	946945403	/nfs/dbraw/zinc/94/54/03/946945403.db2.gz	SMHUQHIERCFUHI-GOSISDBHSA-N	1	1	387.444	0.255	20	50		GCGDMO
CC(C)c1[nH+]ccn1CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC001574432937	948941011	/nfs/dbraw/zinc/94/10/11/948941011.db2.gz	PWKQTTJUTUDWLP-UHFFFAOYSA-N	1	1	384.400	0.413	20	50		GCGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000826446367	607343508	/nfs/dbraw/zinc/34/35/08/607343508.db2.gz	IZZRHFNGEFOZOC-IBGZPJMESA-N	1	1	379.424	0.947	20	50		GCGDMO
CS[C@H]1CCCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227076	607475438	/nfs/dbraw/zinc/47/54/38/607475438.db2.gz	LHRWWJMPWRECSO-AWEZNQCLSA-N	1	1	389.485	0.845	20	50		GCGDMO
CS[C@@H]1CCCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227079	607475531	/nfs/dbraw/zinc/47/55/31/607475531.db2.gz	LIXJOGGCUONKNT-CQSZACIVSA-N	1	1	389.485	0.845	20	50		GCGDMO
C[NH+]1CCN(c2cc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)ccn2)CC1	ZINC000826038668	607724058	/nfs/dbraw/zinc/72/40/58/607724058.db2.gz	UCGAYESUURDNKD-UHFFFAOYSA-N	1	1	379.428	0.770	20	50		GCGDMO
C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034931	607922370	/nfs/dbraw/zinc/92/23/70/607922370.db2.gz	ZIGFNZOLGQNIAB-HZPDHXFCSA-N	1	1	398.471	0.186	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000559	607923222	/nfs/dbraw/zinc/92/32/22/607923222.db2.gz	SJZKMBVULWSFKL-CZUORRHYSA-N	1	1	398.471	0.186	20	50		GCGDMO
CC[N@H+](CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825428352	608164840	/nfs/dbraw/zinc/16/48/40/608164840.db2.gz	KHYZMXVQOJGEAW-UHFFFAOYSA-N	1	1	394.439	0.587	20	50		GCGDMO
CC[N@@H+](CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825428352	608164842	/nfs/dbraw/zinc/16/48/42/608164842.db2.gz	KHYZMXVQOJGEAW-UHFFFAOYSA-N	1	1	394.439	0.587	20	50		GCGDMO
CC[C@H](CSC)[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122179	608325067	/nfs/dbraw/zinc/32/50/67/608325067.db2.gz	XUMKLTNKSBIFBL-CYBMUJFWSA-N	1	1	377.474	0.701	20	50		GCGDMO
COCC1(C)CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826152662	608328140	/nfs/dbraw/zinc/32/81/40/608328140.db2.gz	IWIJVXTUPIWHJL-UHFFFAOYSA-N	1	1	387.444	0.376	20	50		GCGDMO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCC[C@@H]1O	ZINC000825892550	609376041	/nfs/dbraw/zinc/37/60/41/609376041.db2.gz	OQXOHHONVFNJQY-GJZGRUSLSA-N	1	1	387.444	0.111	20	50		GCGDMO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCC[C@@H]1O	ZINC000825892550	609376042	/nfs/dbraw/zinc/37/60/42/609376042.db2.gz	OQXOHHONVFNJQY-GJZGRUSLSA-N	1	1	387.444	0.111	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235633	609393110	/nfs/dbraw/zinc/39/31/10/609393110.db2.gz	NSGGKLLKNFAWNE-GDNBJRDFSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000735882834	944709012	/nfs/dbraw/zinc/70/90/12/944709012.db2.gz	UHAHFFWISZFKFP-CYBMUJFWSA-N	1	1	386.460	0.931	20	50		GCGDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291133	944789032	/nfs/dbraw/zinc/78/90/32/944789032.db2.gz	DIHWYQKGNZYYEG-IUODEOHRSA-N	1	1	384.444	0.780	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1	ZINC000736763598	944886449	/nfs/dbraw/zinc/88/64/49/944886449.db2.gz	MYDRFXAODOKSPT-UHFFFAOYSA-N	1	1	395.423	0.768	20	50		GCGDMO
C[NH+](C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736763042	944886583	/nfs/dbraw/zinc/88/65/83/944886583.db2.gz	ZSTFZORUWCAXGY-MRXNPFEDSA-N	1	1	379.424	0.801	20	50		GCGDMO
COCCC[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736982212	944926818	/nfs/dbraw/zinc/92/68/18/944926818.db2.gz	SDYAKXXVKMYZMA-XNTDXEJSSA-N	1	1	386.460	0.505	20	50		GCGDMO
COCC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C	ZINC000737002463	944929235	/nfs/dbraw/zinc/92/92/35/944929235.db2.gz	BJZFPIITAQPBRE-LWLPBDFMSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C	ZINC000737002463	944929244	/nfs/dbraw/zinc/92/92/44/944929244.db2.gz	BJZFPIITAQPBRE-LWLPBDFMSA-N	1	1	398.471	0.600	20	50		GCGDMO
COCC[N@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006361	944931208	/nfs/dbraw/zinc/93/12/08/944931208.db2.gz	GZWXJKBBVFVCFA-HTRKUNOGSA-N	1	1	398.471	0.648	20	50		GCGDMO
Cc1c(C=C(C#N)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213433	945000845	/nfs/dbraw/zinc/00/08/45/945000845.db2.gz	SPMICMHNIFMJNM-OQLLNIDSSA-N	1	1	398.471	0.336	20	50		GCGDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821268062	945662115	/nfs/dbraw/zinc/66/21/15/945662115.db2.gz	SBIHPLDJTMXDRV-AWEZNQCLSA-N	1	1	387.492	0.766	20	50		GCGDMO
C[N@H+](CCc1ccccc1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821605181	945740635	/nfs/dbraw/zinc/74/06/35/945740635.db2.gz	YRSKDWPRFOBJHJ-UHFFFAOYSA-N	1	1	379.424	0.802	20	50		GCGDMO
C[N@@H+](CCc1ccccc1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821605181	945740640	/nfs/dbraw/zinc/74/06/40/945740640.db2.gz	YRSKDWPRFOBJHJ-UHFFFAOYSA-N	1	1	379.424	0.802	20	50		GCGDMO
C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21	ZINC000821625726	945756741	/nfs/dbraw/zinc/75/67/41/945756741.db2.gz	USYCBISTRHDNPX-HOTGVXAUSA-N	1	1	398.471	0.044	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991289	946248258	/nfs/dbraw/zinc/24/82/58/946248258.db2.gz	ACWQAWZFOKDHSO-AWEZNQCLSA-N	1	1	381.396	0.710	20	50		GCGDMO
O=C(C[N@H+]1CC[C@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991289	946248267	/nfs/dbraw/zinc/24/82/67/946248267.db2.gz	ACWQAWZFOKDHSO-AWEZNQCLSA-N	1	1	381.396	0.710	20	50		GCGDMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997101	946256132	/nfs/dbraw/zinc/25/61/32/946256132.db2.gz	NAQZLHWDOPWEKZ-DNVCBOLYSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997101	946256143	/nfs/dbraw/zinc/25/61/43/946256143.db2.gz	NAQZLHWDOPWEKZ-DNVCBOLYSA-N	1	1	399.455	0.255	20	50		GCGDMO
O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997813	946258516	/nfs/dbraw/zinc/25/85/16/946258516.db2.gz	VMTWRKWHUQRAFK-AWEZNQCLSA-N	1	1	395.427	0.230	20	50		GCGDMO
C[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C	ZINC000824884089	946973053	/nfs/dbraw/zinc/97/30/53/946973053.db2.gz	LJEQXRFKWFVQPA-DOMZBBRYSA-N	1	1	386.460	0.042	20	50		GCGDMO
O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410347	607527860	/nfs/dbraw/zinc/52/78/60/607527860.db2.gz	KQRGAIDNLYMXOR-HOTGVXAUSA-N	1	1	399.455	0.376	20	50		GCGDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824261406	607757568	/nfs/dbraw/zinc/75/75/68/607757568.db2.gz	JPCGKSXYMCODLS-OAHLLOKOSA-N	1	1	386.460	0.931	20	50		GCGDMO
O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410440	607859284	/nfs/dbraw/zinc/85/92/84/607859284.db2.gz	NJUGTMXAGHRXGL-INIZCTEOSA-N	1	1	399.455	0.376	20	50		GCGDMO
O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410173	607859382	/nfs/dbraw/zinc/85/93/82/607859382.db2.gz	FLWCLTFIPYYRLQ-MRXNPFEDSA-N	1	1	399.455	0.376	20	50		GCGDMO
CCC(CC)[N@@H+](CCOC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825107097	607922042	/nfs/dbraw/zinc/92/20/42/607922042.db2.gz	LQNXSZSYNSCZCL-UHFFFAOYSA-N	1	1	389.460	0.765	20	50		GCGDMO
C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034930	607922659	/nfs/dbraw/zinc/92/26/59/607922659.db2.gz	ZIGFNZOLGQNIAB-HOTGVXAUSA-N	1	1	398.471	0.186	20	50		GCGDMO
COC1CCC([N@@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826145644	607922760	/nfs/dbraw/zinc/92/27/60/607922760.db2.gz	KGZHPFQGASAHGS-UHFFFAOYSA-N	1	1	387.444	0.517	20	50		GCGDMO
CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154927	607923541	/nfs/dbraw/zinc/92/35/41/607923541.db2.gz	VPCKAIIXUJBVLH-HUUCEWRRSA-N	1	1	387.444	0.253	20	50		GCGDMO
CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154927	607923542	/nfs/dbraw/zinc/92/35/42/607923542.db2.gz	VPCKAIIXUJBVLH-HUUCEWRRSA-N	1	1	387.444	0.253	20	50		GCGDMO
CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154925	607923716	/nfs/dbraw/zinc/92/37/16/607923716.db2.gz	VPCKAIIXUJBVLH-CABCVRRESA-N	1	1	387.444	0.253	20	50		GCGDMO
CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825154925	607923717	/nfs/dbraw/zinc/92/37/17/607923717.db2.gz	VPCKAIIXUJBVLH-CABCVRRESA-N	1	1	387.444	0.253	20	50		GCGDMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826044484	607939966	/nfs/dbraw/zinc/93/99/66/607939966.db2.gz	GGAMMTCWQJDOJH-INIZCTEOSA-N	1	1	392.423	0.997	20	50		GCGDMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826044484	607939967	/nfs/dbraw/zinc/93/99/67/607939967.db2.gz	GGAMMTCWQJDOJH-INIZCTEOSA-N	1	1	392.423	0.997	20	50		GCGDMO
CC[N@H+]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC000825444618	608255823	/nfs/dbraw/zinc/25/58/23/608255823.db2.gz	PGCYEGMUSNRSAR-CHWSQXEVSA-N	1	1	386.460	0.042	20	50		GCGDMO
COc1ccccc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826218920	608422080	/nfs/dbraw/zinc/42/20/80/608422080.db2.gz	OCSFRKGSFNXCAV-LBPRGKRZSA-N	1	1	395.423	0.987	20	50		GCGDMO
C[NH+](C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1	ZINC000825854927	609404210	/nfs/dbraw/zinc/40/42/10/609404210.db2.gz	FAUFMBGGKQDGOA-UHFFFAOYSA-N	1	1	381.396	0.982	20	50		GCGDMO