smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CSc1nc(C2CC2)n[nH]1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737953731	945164512	/nfs/dbraw/zinc/16/45/12/945164512.db2.gz	NVHPWTSISMIKSS-UHFFFAOYSA-N	0	1	385.413	0.416	20	50		GCGDMN
CCc1n[nH]c(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000736666661	944866149	/nfs/dbraw/zinc/86/61/49/944866149.db2.gz	MHOYIWKIFNOVGM-UHFFFAOYSA-N	0	1	376.337	0.929	20	50		GCGDMN
COCCN1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006364	944931910	/nfs/dbraw/zinc/93/19/10/944931910.db2.gz	GZWXJKBBVFVCFA-TYWAAFNRSA-N	0	1	398.471	0.648	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@H](C)CN2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213718	945005088	/nfs/dbraw/zinc/00/50/88/945005088.db2.gz	WDYFGMNSXKNCCZ-BPKVKKHESA-N	0	1	397.487	0.173	20	50		GCGDMN
C[C@H](CN1CCOCC1)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000820261003	945398925	/nfs/dbraw/zinc/39/89/25/945398925.db2.gz	LBLZMVPVWOTUTD-CYBMUJFWSA-N	0	1	383.456	0.992	20	50		GCGDMN
CCN1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1	ZINC000821268353	945662978	/nfs/dbraw/zinc/66/29/78/945662978.db2.gz	VINOQIMWYWBZPN-UHFFFAOYSA-N	0	1	398.393	0.966	20	50		GCGDMN
COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[nH]n3)s2)cn1	ZINC000821836062	945883031	/nfs/dbraw/zinc/88/30/31/945883031.db2.gz	ZMNLPJYFTMYLJR-UHFFFAOYSA-N	0	1	376.427	0.963	20	50		GCGDMN
Cc1cc(C[C@@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)n[nH]1	ZINC000822199782	945984735	/nfs/dbraw/zinc/98/47/35/945984735.db2.gz	HOPFKOSNKDCMOI-SNVBAGLBSA-N	0	1	399.415	0.239	20	50		GCGDMN
Cc1cc(C[C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)n[nH]1	ZINC000822199818	945985429	/nfs/dbraw/zinc/98/54/29/945985429.db2.gz	IZESDWQICOPVOM-JTQLQIEISA-N	0	1	399.415	0.239	20	50		GCGDMN
Cc1nn(C)c(C)c1OCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000822492205	946105687	/nfs/dbraw/zinc/10/56/87/946105687.db2.gz	VJTYGQZFQJDKDN-UHFFFAOYSA-N	0	1	375.393	0.851	20	50		GCGDMN
CC(C)(C)OC(=O)N1C[C@H](NC(=O)NN=c2ccc(-c3nn[nH]n3)c[nH]2)CO1	ZINC001573857062	950397893	/nfs/dbraw/zinc/39/78/93/950397893.db2.gz	MPGDGLZBNMMPFC-JTQLQIEISA-N	0	1	391.392	0.439	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cc1	ZINC001605273932	973064288	/nfs/dbraw/zinc/06/42/88/973064288.db2.gz	VMEKOVFXACCZTF-IAGOWNOFSA-N	0	1	388.468	0.371	20	50		GCGDMN
CS[C@@H]1CCCCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227077	607475246	/nfs/dbraw/zinc/47/52/46/607475246.db2.gz	LHRWWJMPWRECSO-CQSZACIVSA-N	0	1	389.485	0.845	20	50		GCGDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1Cl	ZINC000833628350	605196102	/nfs/dbraw/zinc/19/61/02/605196102.db2.gz	GRPUOPBXPKXBMM-GFCCVEGCSA-N	0	1	382.848	0.582	20	50		GCGDMN
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000824114317	608206049	/nfs/dbraw/zinc/20/60/49/608206049.db2.gz	OFRARLYNAISGAX-UHFFFAOYSA-N	0	1	395.445	0.994	20	50		GCGDMN
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000824114327	608207823	/nfs/dbraw/zinc/20/78/23/608207823.db2.gz	OMPZVDIWJJYXBZ-UHFFFAOYSA-N	0	1	395.445	0.994	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc(-c2nn[nH]n2)n1C	ZINC000826235473	608276893	/nfs/dbraw/zinc/27/68/93/608276893.db2.gz	KQCFOFIMZATPLF-QWGHSUKYSA-N	0	1	377.412	0.817	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc(-c2nn[nH]n2)n1C	ZINC000826235475	608277010	/nfs/dbraw/zinc/27/70/10/608277010.db2.gz	KQCFOFIMZATPLF-YFTXEMMHSA-N	0	1	377.412	0.817	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000826235643	608553971	/nfs/dbraw/zinc/55/39/71/608553971.db2.gz	NYCAPEGPCQEQPK-HOVAHTAHSA-N	0	1	393.415	0.340	20	50		GCGDMN
O=C(CCCC[NH+]1CCOCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1	ZINC000826406163	608628034	/nfs/dbraw/zinc/62/80/34/608628034.db2.gz	KWUPQKKDOMLYMR-UHFFFAOYSA-N	0	1	380.840	0.861	20	50		GCGDMN
Cc1c(C=NNC(=O)C(F)F)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1	ZINC000826235979	609451589	/nfs/dbraw/zinc/45/15/89/609451589.db2.gz	VXFNNULWRYXABG-UHFFFAOYSA-N	0	1	386.322	0.985	20	50		GCGDMN
C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295460	944790229	/nfs/dbraw/zinc/79/02/29/944790229.db2.gz	UZZHTLKDLWGUGO-SWLSCSKDSA-N	0	1	384.444	0.780	20	50		GCGDMN
COCCN1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006363	944931276	/nfs/dbraw/zinc/93/12/76/944931276.db2.gz	GZWXJKBBVFVCFA-QOBZYLRHSA-N	0	1	398.471	0.648	20	50		GCGDMN
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cs2)c1	ZINC000821936471	945906272	/nfs/dbraw/zinc/90/62/72/945906272.db2.gz	ASHPRCPCDPUWLB-UHFFFAOYSA-N	0	1	392.422	0.407	20	50		GCGDMN
O=C(CSc1n[nH]c(=S)s1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823070813	946302570	/nfs/dbraw/zinc/30/25/70/946302570.db2.gz	PIOJJQUTJFLEMQ-UHFFFAOYSA-N	0	1	394.467	0.560	20	50		GCGDMN
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823273117	946371574	/nfs/dbraw/zinc/37/15/74/946371574.db2.gz	DZIVGTNOCWZWGD-UHFFFAOYSA-N	0	1	399.440	0.396	20	50		GCGDMN
Cc1ccccc1CC(=O)NNC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC001594417717	959022090	/nfs/dbraw/zinc/02/20/90/959022090.db2.gz	PYHUANKHISHAHQ-UHFFFAOYSA-N	0	1	377.441	0.641	20	50		GCGDMN
CCCc1c(C(=O)NNC(=O)[C@@H]2CC[N@@H+]2C2CCOCC2)[nH]c(C)c1C(=O)[O-]	ZINC001596041670	983326901	/nfs/dbraw/zinc/32/69/01/983326901.db2.gz	AFBMPTMDSGUOLV-AWEZNQCLSA-N	0	1	392.456	0.988	20	50		GCGDMN
CCCc1c(C(=O)NNC(=O)[C@@H]2CC[N@H+]2C2CCOCC2)[nH]c(C)c1C(=O)[O-]	ZINC001596041670	983326905	/nfs/dbraw/zinc/32/69/05/983326905.db2.gz	AFBMPTMDSGUOLV-AWEZNQCLSA-N	0	1	392.456	0.988	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C	ZINC001597817994	989450636	/nfs/dbraw/zinc/45/06/36/989450636.db2.gz	ISTULVRZLKDKCY-WDEREUQCSA-N	0	1	397.453	0.186	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C	ZINC001597817994	989450642	/nfs/dbraw/zinc/45/06/42/989450642.db2.gz	ISTULVRZLKDKCY-WDEREUQCSA-N	0	1	397.453	0.186	20	50		GCGDMN
CS[C@H]1CCCCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227078	607475284	/nfs/dbraw/zinc/47/52/84/607475284.db2.gz	LIXJOGGCUONKNT-AWEZNQCLSA-N	0	1	389.485	0.845	20	50		GCGDMN
O=C(CN1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410271	607527739	/nfs/dbraw/zinc/52/77/39/607527739.db2.gz	ISXQFYQOHNSONB-CVEARBPZSA-N	0	1	399.455	0.376	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)CCCNC(=O)[O-])CC2)cc1	ZINC000832932781	604424818	/nfs/dbraw/zinc/42/48/18/604424818.db2.gz	YAINHRNOHWBQDC-UHFFFAOYSA-N	0	1	391.472	0.308	20	50		GCGDMN
O=C(CCN1CCN(c2ccccn2)CC1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826407562	607724893	/nfs/dbraw/zinc/72/48/93/607724893.db2.gz	SJYJFWZJJHLAQQ-UHFFFAOYSA-N	0	1	393.455	0.917	20	50		GCGDMN
O=C(CN1CCC[C@@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410808	607924591	/nfs/dbraw/zinc/92/45/91/607924591.db2.gz	ZENRJJBPQXYSAX-HUUCEWRRSA-N	0	1	385.428	0.129	20	50		GCGDMN
CSCC[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228518	607925570	/nfs/dbraw/zinc/92/55/70/607925570.db2.gz	RMLKQICBWZOQLI-LLVKDONJSA-N	0	1	377.474	0.701	20	50		GCGDMN
O=C(CN(CCO)C1CCCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409669	607941678	/nfs/dbraw/zinc/94/16/78/607941678.db2.gz	JYYVHOYLQHSFIL-UHFFFAOYSA-N	0	1	387.444	0.255	20	50		GCGDMN
COc1cccc([C@@H](C)NCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826214639	608432374	/nfs/dbraw/zinc/43/23/74/608432374.db2.gz	RZOQUQRRASIWRL-GFCCVEGCSA-N	0	1	395.423	0.987	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564898	608462448	/nfs/dbraw/zinc/46/24/48/608462448.db2.gz	XWYXXKCMJLKDBX-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
Cc1ncsc1C(=O)NNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737500125	945085019	/nfs/dbraw/zinc/08/50/19/945085019.db2.gz	OFVRSWXGCWLNAV-NYYWCZLTSA-N	0	1	397.424	0.647	20	50		GCGDMN
CCC(=O)N1CSC[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736303205	944792867	/nfs/dbraw/zinc/79/28/67/944792867.db2.gz	KEBNJWBRGCWTFW-QMMMGPOBSA-N	0	1	380.434	0.733	20	50		GCGDMN
COc1ncnc(OC)c1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000737160697	944971932	/nfs/dbraw/zinc/97/19/32/944971932.db2.gz	BRIWJZOIMGLQSE-UHFFFAOYSA-N	0	1	375.349	0.542	20	50		GCGDMN
CSc1[nH]c(=O)c(C(=O)NNC(=O)c2cccc(C#N)c2)cc1-c1nn[nH]n1	ZINC000737186049	944978222	/nfs/dbraw/zinc/97/82/22/944978222.db2.gz	FACDUJXFJGFEBI-UHFFFAOYSA-N	0	1	396.392	0.636	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cn(Cc3ccccn3)nn2)o1	ZINC000820203709	945381693	/nfs/dbraw/zinc/38/16/93/945381693.db2.gz	XYVFCIOYPFJBEJ-UHFFFAOYSA-N	0	1	395.387	0.770	20	50		GCGDMN
CCN(CC)S(=O)(=O)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000821197018	945651764	/nfs/dbraw/zinc/65/17/64/945651764.db2.gz	DTWSVPSGTWNIOM-UHFFFAOYSA-N	0	1	386.438	0.093	20	50		GCGDMN
CN(C)C(=O)c1ccc(NC(=O)C(C#N)=CC2=S=C(c3nn[nH]n3)C=C2)cc1	ZINC000821579955	945723834	/nfs/dbraw/zinc/72/38/34/945723834.db2.gz	UAWBIXRSUDDCKJ-FMIVXFBMSA-N	0	1	393.432	0.986	20	50		GCGDMN
O=C(CSc1ccc(Cl)cc1)NNC(=O)Cn1cnc(-c2nn[nH]n2)n1	ZINC000823066136	946300965	/nfs/dbraw/zinc/30/09/65/946300965.db2.gz	NCISWXFSVYQVHW-UHFFFAOYSA-N	0	1	393.820	0.051	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1ccc(Cl)cc1Cl	ZINC000823131257	946323774	/nfs/dbraw/zinc/32/37/74/946323774.db2.gz	DNFPVBYKEFWGQW-UHFFFAOYSA-N	0	1	382.171	0.226	20	50		GCGDMN
C[C@@]1(CCCO)CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818166	946944655	/nfs/dbraw/zinc/94/46/55/946944655.db2.gz	SMHUQHIERCFUHI-SFHVURJKSA-N	0	1	387.444	0.255	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc3c(c2)C(=O)NCCO3)o1	ZINC001574424920	948863171	/nfs/dbraw/zinc/86/31/71/948863171.db2.gz	WSSLNTIGRSEHFW-UHFFFAOYSA-N	0	1	398.383	0.857	20	50		GCGDMN
O=C([O-])CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001595018661	951303143	/nfs/dbraw/zinc/30/31/43/951303143.db2.gz	ALPIFZQSXQWZCC-GFCCVEGCSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001595018661	951303154	/nfs/dbraw/zinc/30/31/54/951303154.db2.gz	ALPIFZQSXQWZCC-GFCCVEGCSA-N	0	1	378.385	0.933	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cc1	ZINC001594358946	958432454	/nfs/dbraw/zinc/43/24/54/958432454.db2.gz	YGWYZGPRSBAJFN-SFHVURJKSA-N	0	1	388.468	0.371	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OC	ZINC001604763827	973981192	/nfs/dbraw/zinc/98/11/92/973981192.db2.gz	DYWXEISEBCVLRK-YPMHNXCESA-N	0	1	379.413	0.507	20	50		GCGDMN
CC(C)C(=O)NNC(=O)CN[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC001590938245	990961540	/nfs/dbraw/zinc/96/15/40/990961540.db2.gz	AEEBSZPPSDPMSV-IBGZPJMESA-N	0	1	376.457	0.499	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC	ZINC001599484583	996825437	/nfs/dbraw/zinc/82/54/37/996825437.db2.gz	YWYGPWVMCIGXKF-DGCLKSJQSA-N	0	1	379.413	0.507	20	50		GCGDMN
COCC[N@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1cc(Cl)ccc1OC	ZINC001599236149	997949727	/nfs/dbraw/zinc/94/97/27/997949727.db2.gz	GBDDDFWWKGMXQN-UHFFFAOYSA-N	0	1	387.820	0.533	20	50		GCGDMN
COCC[N@@H+](CCC(=O)[O-])CC(=O)NNC(=O)c1cc(Cl)ccc1OC	ZINC001599236149	997949737	/nfs/dbraw/zinc/94/97/37/997949737.db2.gz	GBDDDFWWKGMXQN-UHFFFAOYSA-N	0	1	387.820	0.533	20	50		GCGDMN
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000826249495	607453946	/nfs/dbraw/zinc/45/39/46/607453946.db2.gz	GCMMTJOXUNBFRW-BETUJISGSA-N	0	1	387.444	0.435	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@H](C)CC(=O)[O-])CC2)cc1	ZINC000832932215	604299602	/nfs/dbraw/zinc/29/96/02/604299602.db2.gz	DFTCIMNBHHTURU-OAHLLOKOSA-N	0	1	376.457	0.371	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)C(C)(C)NC(=O)[O-])CC2)cc1	ZINC000830308393	605124405	/nfs/dbraw/zinc/12/44/05/605124405.db2.gz	IPBIVQBZIVOLDW-UHFFFAOYSA-N	0	1	391.472	0.306	20	50		GCGDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1Cl	ZINC000833628351	605196350	/nfs/dbraw/zinc/19/63/50/605196350.db2.gz	GRPUOPBXPKXBMM-LBPRGKRZSA-N	0	1	382.848	0.582	20	50		GCGDMN
CCc1nc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825740372	608204350	/nfs/dbraw/zinc/20/43/50/608204350.db2.gz	SVTJQJYROHGEMO-TXEUWIOXSA-N	0	1	380.416	0.979	20	50		GCGDMN
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	ZINC000824114551	609247916	/nfs/dbraw/zinc/24/79/16/609247916.db2.gz	XGXGJHJYBPFDTB-UHFFFAOYSA-N	0	1	381.418	0.604	20	50		GCGDMN
CCOC(=O)c1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825560709	609296445	/nfs/dbraw/zinc/29/64/45/609296445.db2.gz	VVOULZDRRALMKO-WZUFQYTHSA-N	0	1	395.383	0.959	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CNC(=O)c2ccc(C#N)cc2)o1	ZINC000735938579	944717594	/nfs/dbraw/zinc/71/75/94/944717594.db2.gz	BCMIZPFMRVTSMY-UHFFFAOYSA-N	0	1	395.383	0.723	20	50		GCGDMN
COCCN1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006362	944930364	/nfs/dbraw/zinc/93/03/64/944930364.db2.gz	GZWXJKBBVFVCFA-LRQZKABGSA-N	0	1	398.471	0.648	20	50		GCGDMN
C[C@@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000820260902	945398208	/nfs/dbraw/zinc/39/82/08/945398208.db2.gz	KMSAAYIDEAYZLF-LBPRGKRZSA-N	0	1	382.428	0.766	20	50		GCGDMN
CN(CCC1CCOCC1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821599418	945737991	/nfs/dbraw/zinc/73/79/91/945737991.db2.gz	SLZKYDDRYQMYFX-UHFFFAOYSA-N	0	1	387.444	0.376	20	50		GCGDMN
O=C(Cc1cccc2ccccc21)NNC(=O)Cn1cnc(-c2nn[nH]n2)n1	ZINC000823111221	946314726	/nfs/dbraw/zinc/31/47/26/946314726.db2.gz	GQCCOFJNIHSDGO-UHFFFAOYSA-N	0	1	377.368	0.002	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2CC[C@@](COC)(C(=O)[O-])C2)cc1C	ZINC001593658056	953768503	/nfs/dbraw/zinc/76/85/03/953768503.db2.gz	XGIVANWSBPHFFG-QGZVFWFLSA-N	0	1	383.470	0.803	20	50		GCGDMN
COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001594096621	958411490	/nfs/dbraw/zinc/41/14/90/958411490.db2.gz	JRQKTMOCTLBRDI-BTDLBPIBSA-N	0	1	397.815	0.143	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)CCCCC(=O)[O-])CC2)cc1	ZINC001594358828	958431166	/nfs/dbraw/zinc/43/11/66/958431166.db2.gz	UUUMKJPPVRANEA-UHFFFAOYSA-N	0	1	390.484	0.905	20	50		GCGDMN
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000826249496	607453799	/nfs/dbraw/zinc/45/37/99/607453799.db2.gz	GCMMTJOXUNBFRW-CHWSQXEVSA-N	0	1	387.444	0.435	20	50		GCGDMN
CSc1[nH]c(=O)c(C(=O)NNC(=O)c2ncccc2C)cc1-c1nn[nH]n1	ZINC000826229516	607780869	/nfs/dbraw/zinc/78/08/69/607780869.db2.gz	HQWFECDUCRYYIA-UHFFFAOYSA-N	0	1	386.397	0.467	20	50		GCGDMN
CSCC[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228519	607925749	/nfs/dbraw/zinc/92/57/49/607925749.db2.gz	RMLKQICBWZOQLI-NSHDSACASA-N	0	1	377.474	0.701	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cncc(N3CCOCC3)c2)o1	ZINC000824358209	607936333	/nfs/dbraw/zinc/93/63/33/607936333.db2.gz	BYCMDKMMWWRMTI-UHFFFAOYSA-N	0	1	399.415	0.967	20	50		GCGDMN
CCc1nc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825740370	608204850	/nfs/dbraw/zinc/20/48/50/608204850.db2.gz	SVTJQJYROHGEMO-DKBJHAQFSA-N	0	1	380.416	0.979	20	50		GCGDMN
COc1ccc([C@H](C)NCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000826188269	608431840	/nfs/dbraw/zinc/43/18/40/608431840.db2.gz	RVPFLHMJCPEPHM-LBPRGKRZSA-N	0	1	395.423	0.987	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564121	608461880	/nfs/dbraw/zinc/46/18/80/608461880.db2.gz	RXWXNSAYHCVORG-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562513	608484117	/nfs/dbraw/zinc/48/41/17/608484117.db2.gz	GUCOKQZPYCBQJO-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000826235644	608554216	/nfs/dbraw/zinc/55/42/16/608554216.db2.gz	NYCAPEGPCQEQPK-PZHUPROXSA-N	0	1	393.415	0.340	20	50		GCGDMN
C[C@H]1CN2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291135	944788444	/nfs/dbraw/zinc/78/84/44/944788444.db2.gz	DIHWYQKGNZYYEG-WFASDCNBSA-N	0	1	384.444	0.780	20	50		GCGDMN
CCC(=O)N1CSC[C@@H]1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736303201	944791784	/nfs/dbraw/zinc/79/17/84/944791784.db2.gz	KEBNJWBRGCWTFW-MRVPVSSYSA-N	0	1	380.434	0.733	20	50		GCGDMN
CCOCC(=O)NN=Cc1c(C)c(-c2nn[nH]n2)c2[nH]c3ccccc3n2c1=O	ZINC000736608813	944854935	/nfs/dbraw/zinc/85/49/35/944854935.db2.gz	MPRGBGKZHLNIGX-UHFFFAOYSA-N	0	1	394.395	0.756	20	50		GCGDMN
CNC(=O)c1cncc(C=CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000736881574	944906569	/nfs/dbraw/zinc/90/65/69/944906569.db2.gz	DJDQULXSXUZIRI-SNAWJCMRSA-N	0	1	397.399	0.889	20	50		GCGDMN
CSc1[nH]c(=O)c(C(=O)NNc2ccncc2Cl)cc1-c1nn[nH]n1	ZINC000821977652	945911375	/nfs/dbraw/zinc/91/13/75/945911375.db2.gz	ISWMEPXJAKSMGV-UHFFFAOYSA-N	0	1	378.805	0.916	20	50		GCGDMN
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cc(-c2nn[nH]n2)cs1	ZINC000823273833	946390350	/nfs/dbraw/zinc/39/03/50/946390350.db2.gz	ZYJGXFZFMGTLBD-UHFFFAOYSA-N	0	1	399.440	0.396	20	50		GCGDMN
COCCn1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c(C)n1	ZINC000826164030	947518640	/nfs/dbraw/zinc/51/86/40/947518640.db2.gz	WDMJUYPRWYHHQV-UHFFFAOYSA-N	0	1	375.393	0.886	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)cc1	ZINC001594358834	958431188	/nfs/dbraw/zinc/43/11/88/958431188.db2.gz	VMEKOVFXACCZTF-DLBZAZTESA-N	0	1	388.468	0.371	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@H](C(=O)[O-])C(C)C)CC2)cc1	ZINC001594358976	958434720	/nfs/dbraw/zinc/43/47/20/958434720.db2.gz	ZXYBCGJDNBBWQN-GOSISDBHSA-N	0	1	390.484	0.617	20	50		GCGDMN
CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001573822276	960970205	/nfs/dbraw/zinc/97/02/05/960970205.db2.gz	HWJIUESQCKNJKA-KRWDZBQOSA-N	0	1	378.385	0.933	20	50		GCGDMN
COC(=O)C1CC2(C1)C[N@H+](CC(=O)NNC(=O)c1ccccc1)C[C@@H]2C(=O)[O-]	ZINC001574048702	962147194	/nfs/dbraw/zinc/14/71/94/962147194.db2.gz	SDYGGIWRMBSJCO-SHYRYGCCSA-N	0	1	389.408	0.033	20	50		GCGDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NNC(=O)c1ccccc1)C[C@@H]2C(=O)[O-]	ZINC001574048702	962147205	/nfs/dbraw/zinc/14/72/05/962147205.db2.gz	SDYGGIWRMBSJCO-SHYRYGCCSA-N	0	1	389.408	0.033	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OC	ZINC001604763826	973980956	/nfs/dbraw/zinc/98/09/56/973980956.db2.gz	DYWXEISEBCVLRK-WCQYABFASA-N	0	1	379.413	0.507	20	50		GCGDMN
O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000739279101	978626831	/nfs/dbraw/zinc/62/68/31/978626831.db2.gz	SBTLAHHMCLRJGG-ZDUSSCGKSA-N	0	1	376.369	0.543	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cc1C	ZINC001597817993	989450584	/nfs/dbraw/zinc/45/05/84/989450584.db2.gz	ISTULVRZLKDKCY-QWRGUYRKSA-N	0	1	397.453	0.186	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)cc1C	ZINC001597817993	989450591	/nfs/dbraw/zinc/45/05/91/989450591.db2.gz	ISTULVRZLKDKCY-QWRGUYRKSA-N	0	1	397.453	0.186	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1OC	ZINC001599483546	996806970	/nfs/dbraw/zinc/80/69/70/996806970.db2.gz	BRKVONWAGRMNEQ-XIKOKIGWSA-N	0	1	377.397	0.404	20	50		GCGDMN
COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)[O-])C1	ZINC001599578512	998486204	/nfs/dbraw/zinc/48/62/04/998486204.db2.gz	CYZQJJQXFMUJIX-INIZCTEOSA-N	0	1	385.804	0.285	20	50		GCGDMN
COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1CC[C@@](OC)(C(=O)[O-])C1	ZINC001599578512	998486213	/nfs/dbraw/zinc/48/62/13/998486213.db2.gz	CYZQJJQXFMUJIX-INIZCTEOSA-N	0	1	385.804	0.285	20	50		GCGDMN
O=C(CN1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410273	607527553	/nfs/dbraw/zinc/52/75/53/607527553.db2.gz	ISXQFYQOHNSONB-HZPDHXFCSA-N	0	1	399.455	0.376	20	50		GCGDMN
O=C([O-])CCC1CC[NH+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000833224511	601843892	/nfs/dbraw/zinc/84/38/92/601843892.db2.gz	UUAIJTWDBZASRJ-UHFFFAOYSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C(CN(C[C@@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409620	607921917	/nfs/dbraw/zinc/92/19/17/607921917.db2.gz	HZEWAFMCLANBRR-LBPRGKRZSA-N	0	1	385.428	0.129	20	50		GCGDMN
CCc1nc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825740374	608204360	/nfs/dbraw/zinc/20/43/60/608204360.db2.gz	SVTJQJYROHGEMO-TZZQWBKVSA-N	0	1	380.416	0.979	20	50		GCGDMN
CCc1nc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825740368	608204730	/nfs/dbraw/zinc/20/47/30/608204730.db2.gz	SVTJQJYROHGEMO-DAVUEJTQSA-N	0	1	380.416	0.979	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564122	608461941	/nfs/dbraw/zinc/46/19/41/608461941.db2.gz	RXWXNSAYHCVORG-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564897	608462789	/nfs/dbraw/zinc/46/27/89/608462789.db2.gz	XWYXXKCMJLKDBX-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NNc1ccnc2ccccc21	ZINC000737889098	945144347	/nfs/dbraw/zinc/14/43/47/945144347.db2.gz	JNEDRWYKMJISPV-UHFFFAOYSA-N	0	1	388.391	0.710	20	50		GCGDMN
Cc1csc(CC(=O)NNC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1	ZINC001611221670	970941997	/nfs/dbraw/zinc/94/19/97/970941997.db2.gz	BMEBKJJLZGNVJR-AGIUHOORSA-N	0	1	380.470	0.859	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CNC(=O)OCC(F)(F)F)o1	ZINC000735939215	944719066	/nfs/dbraw/zinc/71/90/66/944719066.db2.gz	LONHUDSVJCEXIX-UHFFFAOYSA-N	0	1	392.298	0.710	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(=O)NCc2ccc(F)cc2)o1	ZINC000735939198	944720345	/nfs/dbraw/zinc/72/03/45/944720345.db2.gz	LBCMMFYKRKZYCH-UHFFFAOYSA-N	0	1	388.363	0.877	20	50		GCGDMN
CNC(=O)c1cncc(C=CC(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000736881573	944905981	/nfs/dbraw/zinc/90/59/81/944905981.db2.gz	DJDQULXSXUZIRI-PLNGDYQASA-N	0	1	397.399	0.889	20	50		GCGDMN
COCC(=O)N[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	ZINC000736966352	944921556	/nfs/dbraw/zinc/92/15/56/944921556.db2.gz	MYKMPZGSMQFKJY-JTQLQIEISA-N	0	1	380.409	0.208	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213719	945006231	/nfs/dbraw/zinc/00/62/31/945006231.db2.gz	WDYFGMNSXKNCCZ-LWLPBDFMSA-N	0	1	397.487	0.173	20	50		GCGDMN
Cc1ccc2c(O)c(C(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)cnc2n1	ZINC000737371361	945052388	/nfs/dbraw/zinc/05/23/88/945052388.db2.gz	CTULKOPOPRZGAN-UHFFFAOYSA-N	0	1	390.363	0.899	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)o1	ZINC000820202702	945375203	/nfs/dbraw/zinc/37/52/03/945375203.db2.gz	JZLZNBQLDABRAK-QMMMGPOBSA-N	0	1	386.376	0.197	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCCN2c2ncccn2)o1	ZINC000820203449	945382276	/nfs/dbraw/zinc/38/22/76/945382276.db2.gz	UOAZIIQZDNQMAY-SNVBAGLBSA-N	0	1	384.404	0.880	20	50		GCGDMN
Cn1c(CC(=O)NNC(=O)c2cc(-c3nn[nH]n3)cs2)nc2ccccc21	ZINC000822595626	946133001	/nfs/dbraw/zinc/13/30/01/946133001.db2.gz	AVJDOZGYORPOCF-UHFFFAOYSA-N	0	1	382.409	0.819	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2COCCN2CC(F)F)o1	ZINC001574424976	948869617	/nfs/dbraw/zinc/86/96/17/948869617.db2.gz	ZLDABZNKUVBPPG-MRVPVSSYSA-N	0	1	386.363	0.387	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1	ZINC001605252750	973014985	/nfs/dbraw/zinc/01/49/85/973014985.db2.gz	BLRICXAMDGCDNP-HOTGVXAUSA-N	0	1	399.451	0.680	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1	ZINC001605252750	973014993	/nfs/dbraw/zinc/01/49/93/973014993.db2.gz	BLRICXAMDGCDNP-HOTGVXAUSA-N	0	1	399.451	0.680	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1OC	ZINC001599484569	996825331	/nfs/dbraw/zinc/82/53/31/996825331.db2.gz	YHLXMJLYTSTOKJ-ZDUSSCGKSA-N	0	1	379.413	0.794	20	50		GCGDMN
N#Cc1ccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1C(F)(F)F	ZINC000826385912	607394792	/nfs/dbraw/zinc/39/47/92/607394792.db2.gz	HAVMFZBIZHNDAR-UHFFFAOYSA-N	0	1	378.278	0.492	20	50		GCGDMN
O=C(CN1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410274	607528144	/nfs/dbraw/zinc/52/81/44/607528144.db2.gz	ISXQFYQOHNSONB-JKSUJKDBSA-N	0	1	399.455	0.376	20	50		GCGDMN
O=C(CN1CC[C@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410172	607859212	/nfs/dbraw/zinc/85/92/12/607859212.db2.gz	FLWCLTFIPYYRLQ-INIZCTEOSA-N	0	1	399.455	0.376	20	50		GCGDMN
O=C(CN1CCC[C@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410807	607924542	/nfs/dbraw/zinc/92/45/42/607924542.db2.gz	ZENRJJBPQXYSAX-GJZGRUSLSA-N	0	1	385.428	0.129	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cnc3c(c2)NC(=O)CO3)o1	ZINC000824358428	608157541	/nfs/dbraw/zinc/15/75/41/608157541.db2.gz	JRBOEBOUTSYFGU-UHFFFAOYSA-N	0	1	385.344	0.461	20	50		GCGDMN
COc1ccc([C@@H](C)NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000826188093	608431850	/nfs/dbraw/zinc/43/18/50/608431850.db2.gz	NKTDGMFHVVHEPC-GFCCVEGCSA-N	0	1	395.423	0.987	20	50		GCGDMN
COc1cccc([C@@H](C)NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000826214190	608432362	/nfs/dbraw/zinc/43/23/62/608432362.db2.gz	DAQQZZOPDRSUMX-GFCCVEGCSA-N	0	1	395.423	0.987	20	50		GCGDMN
O=C(CN[C@@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412231	608433002	/nfs/dbraw/zinc/43/30/02/608433002.db2.gz	HGDDAJIOZKGHTB-INIZCTEOSA-N	0	1	395.423	0.341	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564847	608461956	/nfs/dbraw/zinc/46/19/56/608461956.db2.gz	WTJNZXHPUMSGKS-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562792	608485745	/nfs/dbraw/zinc/48/57/45/608485745.db2.gz	IRHMJXHAWQTHEK-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C#CC[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823839096	608519573	/nfs/dbraw/zinc/51/95/73/608519573.db2.gz	ZLCGXFVCYJCEAA-QGZVFWFLSA-N	0	1	389.419	0.982	20	50		GCGDMN
C[N@H+](CCCI)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000825918545	609295173	/nfs/dbraw/zinc/29/51/73/609295173.db2.gz	GOAWWMKHDWOBCR-UHFFFAOYSA-N	0	1	390.233	0.862	20	50		GCGDMN
C[N@@H+](CCCI)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000825918545	609295175	/nfs/dbraw/zinc/29/51/75/609295175.db2.gz	GOAWWMKHDWOBCR-UHFFFAOYSA-N	0	1	390.233	0.862	20	50		GCGDMN
C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1	ZINC000819867952	945302552	/nfs/dbraw/zinc/30/25/52/945302552.db2.gz	VRIQSGQDQWXVQJ-CYBMUJFWSA-N	0	1	387.444	0.657	20	50		GCGDMN
CC(C)Cn1[nH]c(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1=O	ZINC000820108709	945352244	/nfs/dbraw/zinc/35/22/44/945352244.db2.gz	PCBCCUHTKAMILE-UHFFFAOYSA-N	0	1	384.400	0.016	20	50		GCGDMN
C[NH+](C)CC(=O)N[N-]C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1	ZINC000736760562	944885327	/nfs/dbraw/zinc/88/53/27/944885327.db2.gz	AEYBZWRDHIOFDG-UHFFFAOYSA-N	0	1	385.384	0.361	20	50		GCGDMN
COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NNC(=O)c1scnc1C	ZINC000737025124	944935416	/nfs/dbraw/zinc/93/54/16/944935416.db2.gz	XRUJERXIPCUZIP-UHFFFAOYSA-N	0	1	389.397	0.480	20	50		GCGDMN
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000737200904	944983074	/nfs/dbraw/zinc/98/30/74/944983074.db2.gz	WARJMWDXSKDRAQ-UHFFFAOYSA-N	0	1	398.387	0.308	20	50		GCGDMN
Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NNc1ncnc2[nH]cnc21	ZINC000822542245	946120169	/nfs/dbraw/zinc/12/01/69/946120169.db2.gz	WHPSETRUSGXENV-UHFFFAOYSA-N	0	1	391.355	0.982	20	50		GCGDMN
Cc1oc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1S(N)(=O)=O	ZINC000822542266	946120267	/nfs/dbraw/zinc/12/02/67/946120267.db2.gz	WYUSSNJFGNRFJD-UHFFFAOYSA-N	0	1	396.389	0.284	20	50		GCGDMN
O=C(CSc1nc(C2CC2)n[nH]1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823070610	946303397	/nfs/dbraw/zinc/30/33/97/946303397.db2.gz	HCHAUZDDNUFRPZ-UHFFFAOYSA-N	0	1	385.413	0.416	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(N3CCOCC3)CCC2)o1	ZINC000824352781	946666943	/nfs/dbraw/zinc/66/69/43/946666943.db2.gz	NDZDNWDWYHUHOS-UHFFFAOYSA-N	0	1	376.421	0.676	20	50		GCGDMN
O=C([O-])CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001595018709	951302537	/nfs/dbraw/zinc/30/25/37/951302537.db2.gz	BLBPVJBWCTYZGO-GFCCVEGCSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001595018709	951302554	/nfs/dbraw/zinc/30/25/54/951302554.db2.gz	BLBPVJBWCTYZGO-GFCCVEGCSA-N	0	1	378.385	0.933	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)cc1C	ZINC001593658055	953768910	/nfs/dbraw/zinc/76/89/10/953768910.db2.gz	XGIVANWSBPHFFG-KRWDZBQOSA-N	0	1	383.470	0.803	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC	ZINC000818578998	955404374	/nfs/dbraw/zinc/40/43/74/955404374.db2.gz	YFNUGPYOAOFLIO-GFCCVEGCSA-N	0	1	379.413	0.652	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC	ZINC001604763824	973980911	/nfs/dbraw/zinc/98/09/11/973980911.db2.gz	DYWXEISEBCVLRK-AAEUAGOBSA-N	0	1	379.413	0.507	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1C	ZINC001603997465	974499920	/nfs/dbraw/zinc/49/99/20/974499920.db2.gz	DXRPZGJZLINHJN-GTNSWQLSSA-N	0	1	381.454	0.413	20	50		GCGDMN
CCc1[nH]c(C(=O)NNC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1C(=O)[O-]	ZINC000737245421	978391891	/nfs/dbraw/zinc/39/18/91/978391891.db2.gz	XZVNWJXNBJVKSI-PHIMTYICSA-N	0	1	380.445	0.844	20	50		GCGDMN
O=C([O-])[C@H]1CC12CC[NH+](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000739279100	978626991	/nfs/dbraw/zinc/62/69/91/978626991.db2.gz	SBTLAHHMCLRJGG-CYBMUJFWSA-N	0	1	376.369	0.543	20	50		GCGDMN
O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC2	ZINC000739277434	978627006	/nfs/dbraw/zinc/62/70/06/978627006.db2.gz	APCKRHXGUCEJQM-ZDUSSCGKSA-N	0	1	376.369	0.543	20	50		GCGDMN
CCCc1c(C(=O)NNC(=O)[C@H]2CC[N@@H+]2C2CCOCC2)[nH]c(C)c1C(=O)[O-]	ZINC001596041671	983326914	/nfs/dbraw/zinc/32/69/14/983326914.db2.gz	AFBMPTMDSGUOLV-CQSZACIVSA-N	0	1	392.456	0.988	20	50		GCGDMN
CCCc1c(C(=O)NNC(=O)[C@H]2CC[N@H+]2C2CCOCC2)[nH]c(C)c1C(=O)[O-]	ZINC001596041671	983326916	/nfs/dbraw/zinc/32/69/16/983326916.db2.gz	AFBMPTMDSGUOLV-CQSZACIVSA-N	0	1	392.456	0.988	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1OC	ZINC001599484030	996814171	/nfs/dbraw/zinc/81/41/71/996814171.db2.gz	MBFJGYHYOZPVBG-WCQYABFASA-N	0	1	379.413	0.507	20	50		GCGDMN
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	ZINC000826249497	607453607	/nfs/dbraw/zinc/45/36/07/607453607.db2.gz	GCMMTJOXUNBFRW-STQMWFEESA-N	0	1	387.444	0.435	20	50		GCGDMN
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	ZINC000824113984	608206372	/nfs/dbraw/zinc/20/63/72/608206372.db2.gz	HOMUXBOJIOEFRO-UHFFFAOYSA-N	0	1	395.445	0.994	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc(-c2nn[nH]n2)n1C	ZINC000826235474	608276969	/nfs/dbraw/zinc/27/69/69/608276969.db2.gz	KQCFOFIMZATPLF-XLVZXTRVSA-N	0	1	377.412	0.817	20	50		GCGDMN
Cc1cc(CC(=O)NN=Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)[nH]n1	ZINC000826266418	609304252	/nfs/dbraw/zinc/30/42/52/609304252.db2.gz	ODEURHCUELDHNS-UHFFFAOYSA-N	0	1	390.411	0.992	20	50		GCGDMN
Cc1ncsc1C(=O)NNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F	ZINC000737498574	945082417	/nfs/dbraw/zinc/08/24/17/945082417.db2.gz	HMOLDJWFJNWOBR-UHFFFAOYSA-N	0	1	376.377	0.915	20	50		GCGDMN
Cc1csc(CC(=O)NNC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1	ZINC001611221679	970941372	/nfs/dbraw/zinc/94/13/72/970941372.db2.gz	BMEBKJJLZGNVJR-XQQFMLRXSA-N	0	1	380.470	0.859	20	50		GCGDMN
C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1	ZINC000736287401	944786839	/nfs/dbraw/zinc/78/68/39/944786839.db2.gz	OVKZSQBSMPHNNG-CHWSQXEVSA-N	0	1	387.444	0.056	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)NC[C@H](C)N2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213512	945002781	/nfs/dbraw/zinc/00/27/81/945002781.db2.gz	USXICUVRESILFF-LWLPBDFMSA-N	0	1	397.487	0.173	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2(CS(C)(=O)=O)CC2)o1	ZINC000820202212	945375952	/nfs/dbraw/zinc/37/59/52/945375952.db2.gz	FKHCVDGIVBONGJ-UHFFFAOYSA-N	0	1	383.434	0.636	20	50		GCGDMN
CN(C)C(=O)c1ccc(NC(=O)C(C#N)=CC2=S=C(c3nn[nH]n3)C=C2)cc1	ZINC000821579956	945722997	/nfs/dbraw/zinc/72/29/97/945722997.db2.gz	UAWBIXRSUDDCKJ-XFXZXTDPSA-N	0	1	393.432	0.986	20	50		GCGDMN
Cc1cc(C[C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)n[nH]1	ZINC000822199819	945984541	/nfs/dbraw/zinc/98/45/41/945984541.db2.gz	IZESDWQICOPVOM-SNVBAGLBSA-N	0	1	399.415	0.239	20	50		GCGDMN
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1	ZINC000822229512	946010608	/nfs/dbraw/zinc/01/06/08/946010608.db2.gz	WDNGPPJBYGIWGK-UHFFFAOYSA-N	0	1	399.415	0.116	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)c1cc2c(s1)CCCCC2	ZINC000823131342	946327883	/nfs/dbraw/zinc/32/78/83/946327883.db2.gz	GELJOORZRATMMZ-UHFFFAOYSA-N	0	1	387.429	0.250	20	50		GCGDMN
C[C@H](C(=O)NNc1cc(Cl)nc2ncccc12)n1cnc(-c2nn[nH]n2)n1	ZINC001573728327	948561200	/nfs/dbraw/zinc/56/12/00/948561200.db2.gz	DCIVYXSBKFDFEQ-SSDOTTSWSA-N	0	1	385.779	0.759	20	50		GCGDMN
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC001573851916	950297079	/nfs/dbraw/zinc/29/70/79/950297079.db2.gz	AMSSQCLRJOLCJY-SECBINFHSA-N	0	1	393.429	0.699	20	50		GCGDMN
O=C([O-])CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001595018710	951302974	/nfs/dbraw/zinc/30/29/74/951302974.db2.gz	BLBPVJBWCTYZGO-LBPRGKRZSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001595018710	951302989	/nfs/dbraw/zinc/30/29/89/951302989.db2.gz	BLBPVJBWCTYZGO-LBPRGKRZSA-N	0	1	378.385	0.933	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@@H](C(=O)[O-])C(C)C)CC2)cc1	ZINC001594358979	958434648	/nfs/dbraw/zinc/43/46/48/958434648.db2.gz	ZXYBCGJDNBBWQN-SFHVURJKSA-N	0	1	390.484	0.617	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1OC	ZINC001599485205	996836460	/nfs/dbraw/zinc/83/64/60/996836460.db2.gz	ZZMGKJGMWXNYQS-NSHDSACASA-N	0	1	379.413	0.650	20	50		GCGDMN
O=C(CCN1CCN(c2ccccn2)CC1)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826407123	607348268	/nfs/dbraw/zinc/34/82/68/607348268.db2.gz	BVFYVJXBVSJKSF-UHFFFAOYSA-N	0	1	393.455	0.917	20	50		GCGDMN
Cc1csc(CC(=O)NNC(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)n1	ZINC000832989709	601049619	/nfs/dbraw/zinc/04/96/19/601049619.db2.gz	UAEIPLOMNMCSSN-UHFFFAOYSA-N	0	1	384.458	0.097	20	50		GCGDMN
O=C(CN1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410349	607527856	/nfs/dbraw/zinc/52/78/56/607527856.db2.gz	KQRGAIDNLYMXOR-JKSUJKDBSA-N	0	1	399.455	0.376	20	50		GCGDMN
COCCN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	ZINC000826157706	607921748	/nfs/dbraw/zinc/92/17/48/607921748.db2.gz	HVQBRVVQLFQTBE-UHFFFAOYSA-N	0	1	375.433	0.232	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000826235646	608554194	/nfs/dbraw/zinc/55/41/94/608554194.db2.gz	NYCAPEGPCQEQPK-XXLSNGBASA-N	0	1	393.415	0.340	20	50		GCGDMN
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948495	609157331	/nfs/dbraw/zinc/15/73/31/609157331.db2.gz	PGFCYTKBIYAMQO-LLVKDONJSA-N	0	1	375.408	0.814	20	50		GCGDMN
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1sccc1-c1nn[nH]n1	ZINC000738129467	945200943	/nfs/dbraw/zinc/20/09/43/945200943.db2.gz	CJLYWJGMIDHDKK-UHFFFAOYSA-N	0	1	399.440	0.396	20	50		GCGDMN
CC(C)CCOc1ccc(C(=O)NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1	ZINC000820076639	945346797	/nfs/dbraw/zinc/34/67/97/945346797.db2.gz	QBIPYLVQUSVPCN-UHFFFAOYSA-N	0	1	399.415	0.344	20	50		GCGDMN
O=C([O-])[C@@H]1C[N@@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1	ZINC001601318476	970974564	/nfs/dbraw/zinc/97/45/64/970974564.db2.gz	XTUNDCCLFGMHMJ-UONOGXRCSA-N	0	1	376.369	0.398	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@H](C)CN2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213721	945005402	/nfs/dbraw/zinc/00/54/02/945005402.db2.gz	WDYFGMNSXKNCCZ-WPBJZHHJSA-N	0	1	397.487	0.173	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCCN2c2ncccn2)o1	ZINC000820203446	945382245	/nfs/dbraw/zinc/38/22/45/945382245.db2.gz	UOAZIIQZDNQMAY-JTQLQIEISA-N	0	1	384.404	0.880	20	50		GCGDMN
C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1	ZINC000820750553	945545607	/nfs/dbraw/zinc/54/56/07/945545607.db2.gz	BRYOLCGOGNQDEX-CHWSQXEVSA-N	0	1	387.444	0.056	20	50		GCGDMN
O=C(CN1CCC2(C1)CCOCC2)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997895	946258668	/nfs/dbraw/zinc/25/86/68/946258668.db2.gz	XBKXIISVSOUNOA-UHFFFAOYSA-N	0	1	385.428	0.130	20	50		GCGDMN
O=C(NN=C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1COCCO1	ZINC000823269514	946366580	/nfs/dbraw/zinc/36/65/80/946366580.db2.gz	IGWXGOLMMAHKKX-MRXNPFEDSA-N	0	1	385.428	0.350	20	50		GCGDMN
Cc1ccncc1[C@H](C)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826315967	947924248	/nfs/dbraw/zinc/92/42/48/947924248.db2.gz	ZPJVIDOHGCNMSW-LBPRGKRZSA-N	0	1	380.412	0.682	20	50		GCGDMN
C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)NNC(=O)C(=O)[O-])cc2)C[C@H]1C	ZINC001594530692	986113109	/nfs/dbraw/zinc/11/31/09/986113109.db2.gz	BQZCNNJWXXZACA-OKILXGFUSA-N	0	1	392.456	0.611	20	50		GCGDMN
CC(C)C(=O)NNC(=O)CN[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC001590938247	990961318	/nfs/dbraw/zinc/96/13/18/990961318.db2.gz	AEEBSZPPSDPMSV-LJQANCHMSA-N	0	1	376.457	0.499	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1OC	ZINC001599485204	996835307	/nfs/dbraw/zinc/83/53/07/996835307.db2.gz	ZZMGKJGMWXNYQS-LLVKDONJSA-N	0	1	379.413	0.650	20	50		GCGDMN
COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@@H+]1CC[C@](OC)(C(=O)[O-])C1	ZINC001599578513	998486483	/nfs/dbraw/zinc/48/64/83/998486483.db2.gz	CYZQJJQXFMUJIX-MRXNPFEDSA-N	0	1	385.804	0.285	20	50		GCGDMN
COc1ccc(Cl)cc1C(=O)NNC(=O)C[N@H+]1CC[C@](OC)(C(=O)[O-])C1	ZINC001599578513	998486494	/nfs/dbraw/zinc/48/64/94/998486494.db2.gz	CYZQJJQXFMUJIX-MRXNPFEDSA-N	0	1	385.804	0.285	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(F)cc1Br	ZINC000826425494	607339630	/nfs/dbraw/zinc/33/96/30/607339630.db2.gz	GTPWZQKRUYQPLI-UHFFFAOYSA-N	0	1	382.157	0.503	20	50		GCGDMN
Cc1cc(Br)ccc1NNC(=O)Cn1cnc(-c2nn[nH]n2)n1	ZINC000826256660	607396860	/nfs/dbraw/zinc/39/68/60/607396860.db2.gz	UPLIJRXWDFMVFM-UHFFFAOYSA-N	0	1	378.194	0.672	20	50		GCGDMN
O=C(CN1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410272	607528115	/nfs/dbraw/zinc/52/81/15/607528115.db2.gz	ISXQFYQOHNSONB-HOTGVXAUSA-N	0	1	399.455	0.376	20	50		GCGDMN
CC(C)(C)C(=O)NNC(=O)CN[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833422334	605219094	/nfs/dbraw/zinc/21/90/94/605219094.db2.gz	YATIBONMIBYOFZ-FQEVSTJZSA-N	0	1	390.484	0.889	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc(-c2nn[nH]n2)n1C	ZINC000826235476	608276874	/nfs/dbraw/zinc/27/68/74/608276874.db2.gz	KQCFOFIMZATPLF-YQJFHSMKSA-N	0	1	377.412	0.817	20	50		GCGDMN
COc1cccc([C@H](C)NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000826214191	608432155	/nfs/dbraw/zinc/43/21/55/608432155.db2.gz	DAQQZZOPDRSUMX-LBPRGKRZSA-N	0	1	395.423	0.987	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824562848	608485791	/nfs/dbraw/zinc/48/57/91/608485791.db2.gz	KBVXQALNIZAACK-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
CCCCN(CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825285090	608562512	/nfs/dbraw/zinc/56/25/12/608562512.db2.gz	JCHBKVYHECQYSW-UHFFFAOYSA-N	0	1	375.433	0.112	20	50		GCGDMN
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948496	609157206	/nfs/dbraw/zinc/15/72/06/609157206.db2.gz	PGFCYTKBIYAMQO-NSHDSACASA-N	0	1	375.408	0.814	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[nH]c1C	ZINC000825565316	609397175	/nfs/dbraw/zinc/39/71/75/609397175.db2.gz	QYSAKBFXSGTMOA-UHFFFAOYSA-N	0	1	382.384	0.828	20	50		GCGDMN
C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1	ZINC000736287397	944786459	/nfs/dbraw/zinc/78/64/59/944786459.db2.gz	OVKZSQBSMPHNNG-BETUJISGSA-N	0	1	387.444	0.056	20	50		GCGDMN
C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1	ZINC000736287403	944786508	/nfs/dbraw/zinc/78/65/08/944786508.db2.gz	OVKZSQBSMPHNNG-STQMWFEESA-N	0	1	387.444	0.056	20	50		GCGDMN
C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295455	944788574	/nfs/dbraw/zinc/78/85/74/944788574.db2.gz	UZZHTLKDLWGUGO-DOMZBBRYSA-N	0	1	384.444	0.780	20	50		GCGDMN
C[NH+](C)CC(=O)N[N-]C(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1	ZINC000736765641	944885233	/nfs/dbraw/zinc/88/52/33/944885233.db2.gz	ZJCKFAMQUYUOFT-UHFFFAOYSA-N	0	1	385.384	0.361	20	50		GCGDMN
C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000820261006	945397898	/nfs/dbraw/zinc/39/78/98/945397898.db2.gz	LBLZMVPVWOTUTD-ZDUSSCGKSA-N	0	1	383.456	0.992	20	50		GCGDMN
C[C@H]1CN(CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1	ZINC000820750555	945545559	/nfs/dbraw/zinc/54/55/59/945545559.db2.gz	BRYOLCGOGNQDEX-STQMWFEESA-N	0	1	387.444	0.056	20	50		GCGDMN
COCC(=O)NN=Cc1c(C)c(-c2nn[nH]n2)c2[nH]c3ccccc3n2c1=O	ZINC000821680858	945800716	/nfs/dbraw/zinc/80/07/16/945800716.db2.gz	WUTBLAZQTOLTOK-UHFFFAOYSA-N	0	1	380.368	0.366	20	50		GCGDMN
Cn1nc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)c2ccccc2c1=O	ZINC000822703760	946160520	/nfs/dbraw/zinc/16/05/20/946160520.db2.gz	CHZLDMXOBGEIIY-UHFFFAOYSA-N	0	1	396.392	0.250	20	50		GCGDMN
O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000823005157	946263366	/nfs/dbraw/zinc/26/33/66/946263366.db2.gz	FDHCKESWPWEASH-UHFFFAOYSA-N	0	1	377.411	0.181	20	50		GCGDMN
Cc1ccncc1[C@H](C)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826315629	947921071	/nfs/dbraw/zinc/92/10/71/947921071.db2.gz	ONRJELYECLSWKU-LBPRGKRZSA-N	0	1	380.412	0.682	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2COCCN2CC(F)F)o1	ZINC001574424977	948868317	/nfs/dbraw/zinc/86/83/17/948868317.db2.gz	ZLDABZNKUVBPPG-QMMMGPOBSA-N	0	1	386.363	0.387	20	50		GCGDMN
O=C([O-])CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001595018664	951303426	/nfs/dbraw/zinc/30/34/26/951303426.db2.gz	ALPIFZQSXQWZCC-LBPRGKRZSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001595018664	951303431	/nfs/dbraw/zinc/30/34/31/951303431.db2.gz	ALPIFZQSXQWZCC-LBPRGKRZSA-N	0	1	378.385	0.933	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1	ZINC001589396029	954375382	/nfs/dbraw/zinc/37/53/82/954375382.db2.gz	RZTADTUIJIQJCP-BETUJISGSA-N	0	1	379.413	0.410	20	50		GCGDMN
CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC001573822277	960970418	/nfs/dbraw/zinc/97/04/18/960970418.db2.gz	HWJIUESQCKNJKA-QGZVFWFLSA-N	0	1	378.385	0.933	20	50		GCGDMN
O=C([O-])[C@@H](Cc1ccccc1)[NH2+]CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC001574531409	961898235	/nfs/dbraw/zinc/89/82/35/961898235.db2.gz	HTOITEWIKPLUMC-OAHLLOKOSA-N	0	1	386.364	0.641	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC	ZINC000737930754	978460850	/nfs/dbraw/zinc/46/08/50/978460850.db2.gz	QVRJKKDUSIBQCQ-ZDUSSCGKSA-N	0	1	391.424	0.652	20	50		GCGDMN
O=C([O-])[C@H]1CC12CC[NH+](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC2	ZINC000739277428	978626924	/nfs/dbraw/zinc/62/69/24/978626924.db2.gz	APCKRHXGUCEJQM-CYBMUJFWSA-N	0	1	376.369	0.543	20	50		GCGDMN
CN(C)C(=O)C[NH+]1CCC(NC(=O)NNc2ccc(C(=O)[O-])cc2F)CC1	ZINC001598127558	990560759	/nfs/dbraw/zinc/56/07/59/990560759.db2.gz	GASIHVCIHSDFLB-UHFFFAOYSA-N	0	1	381.408	0.703	20	50		GCGDMN
O=C(CN1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410348	607527711	/nfs/dbraw/zinc/52/77/11/607527711.db2.gz	KQRGAIDNLYMXOR-HZPDHXFCSA-N	0	1	399.455	0.376	20	50		GCGDMN
O=C([O-])CCC1CC[NH+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000833224480	601844440	/nfs/dbraw/zinc/84/44/40/601844440.db2.gz	PFJBDUUCRWCHLF-UHFFFAOYSA-N	0	1	378.385	0.933	20	50		GCGDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000833629231	605200856	/nfs/dbraw/zinc/20/08/56/605200856.db2.gz	SNRHYXWUZFHIRL-LBPRGKRZSA-N	0	1	382.848	0.582	20	50		GCGDMN
CNS(=O)(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)co1	ZINC000826090248	607889634	/nfs/dbraw/zinc/88/96/34/607889634.db2.gz	DVLRXZRGECOCDF-UHFFFAOYSA-N	0	1	396.389	0.236	20	50		GCGDMN
O=C(CN(C[C@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409619	607921224	/nfs/dbraw/zinc/92/12/24/607921224.db2.gz	HZEWAFMCLANBRR-GFCCVEGCSA-N	0	1	385.428	0.129	20	50		GCGDMN
COc1ccc([C@H](C)NCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000826188094	608431790	/nfs/dbraw/zinc/43/17/90/608431790.db2.gz	NKTDGMFHVVHEPC-LBPRGKRZSA-N	0	1	395.423	0.987	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824563474	608461925	/nfs/dbraw/zinc/46/19/25/608461925.db2.gz	PDYLTRBDLJRCDN-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000826235645	608554142	/nfs/dbraw/zinc/55/41/42/608554142.db2.gz	NYCAPEGPCQEQPK-RYPVXOHGSA-N	0	1	393.415	0.340	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[nH]c1C	ZINC000825565007	609397117	/nfs/dbraw/zinc/39/71/17/609397117.db2.gz	JYHJGLHPXMDOLZ-UHFFFAOYSA-N	0	1	382.384	0.828	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)[nH]c1C	ZINC000825565158	609397127	/nfs/dbraw/zinc/39/71/27/609397127.db2.gz	MVPGRZQDUKIUQH-UHFFFAOYSA-N	0	1	398.387	0.092	20	50		GCGDMN
Cc1[nH+]c(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)c2ccccn12	ZINC000737468272	945075982	/nfs/dbraw/zinc/07/59/82/945075982.db2.gz	SAZZEDNSVDUSPZ-UHFFFAOYSA-N	0	1	392.379	0.663	20	50		GCGDMN
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000819939407	945315667	/nfs/dbraw/zinc/31/56/67/945315667.db2.gz	ASURKPFLADPCDL-UHFFFAOYSA-N	0	1	396.433	0.397	20	50		GCGDMN
CC(C)Cn1[nH]c(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1=O	ZINC000820108928	945353340	/nfs/dbraw/zinc/35/33/40/945353340.db2.gz	VLQTZXZZJSTXQM-UHFFFAOYSA-N	0	1	384.400	0.016	20	50		GCGDMN
Cc1csc(CC(=O)NNC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1	ZINC001600658355	970842321	/nfs/dbraw/zinc/84/23/21/970842321.db2.gz	BMEBKJJLZGNVJR-AVGNSLFASA-N	0	1	380.470	0.859	20	50		GCGDMN
C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291132	944788737	/nfs/dbraw/zinc/78/87/37/944788737.db2.gz	DIHWYQKGNZYYEG-DOMZBBRYSA-N	0	1	384.444	0.780	20	50		GCGDMN
CCc1cc(CNC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)n[nH]1	ZINC000736675979	944865951	/nfs/dbraw/zinc/86/59/51/944865951.db2.gz	NPCNIWYNOYXQCT-UHFFFAOYSA-N	0	1	385.388	0.062	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)o1	ZINC000820202701	945376326	/nfs/dbraw/zinc/37/63/26/945376326.db2.gz	JZLZNBQLDABRAK-MRVPVSSYSA-N	0	1	386.376	0.197	20	50		GCGDMN
C[C@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000820260899	945398082	/nfs/dbraw/zinc/39/80/82/945398082.db2.gz	KMSAAYIDEAYZLF-GFCCVEGCSA-N	0	1	382.428	0.766	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)C[C@H](C)O1	ZINC000820752308	945548860	/nfs/dbraw/zinc/54/88/60/945548860.db2.gz	LRMZXAITGJSNEQ-AOOOYVTPSA-N	0	1	379.446	0.189	20	50		GCGDMN
Cc1ncsc1C(=O)NNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1	ZINC000822482573	946102285	/nfs/dbraw/zinc/10/22/85/946102285.db2.gz	WPTZYBRSCXNMAX-UHFFFAOYSA-N	0	1	388.413	0.655	20	50		GCGDMN
O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000823005384	946263939	/nfs/dbraw/zinc/26/39/39/946263939.db2.gz	PHCSWGZZHAWIAJ-UHFFFAOYSA-N	0	1	377.411	0.181	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000823132103	946326739	/nfs/dbraw/zinc/32/67/39/946326739.db2.gz	ZZDIVRWNKHIDTQ-UHFFFAOYSA-N	0	1	385.432	0.212	20	50		GCGDMN
COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1	ZINC001593967224	956567679	/nfs/dbraw/zinc/56/76/79/956567679.db2.gz	RBRGIAXCYPCEJM-QGZVFWFLSA-N	0	1	399.831	0.533	20	50		GCGDMN
COC(=O)C1CC2(C1)C[N@H+](CC(=O)NNC(=O)c1ccccc1)C[C@H]2C(=O)[O-]	ZINC001574048701	962148161	/nfs/dbraw/zinc/14/81/61/962148161.db2.gz	SDYGGIWRMBSJCO-BIWSTMPVSA-N	0	1	389.408	0.033	20	50		GCGDMN
COC(=O)C1CC2(C1)C[N@@H+](CC(=O)NNC(=O)c1ccccc1)C[C@H]2C(=O)[O-]	ZINC001574048701	962148174	/nfs/dbraw/zinc/14/81/74/962148174.db2.gz	SDYGGIWRMBSJCO-BIWSTMPVSA-N	0	1	389.408	0.033	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC	ZINC000737930741	978461049	/nfs/dbraw/zinc/46/10/49/978461049.db2.gz	QVRJKKDUSIBQCQ-CYBMUJFWSA-N	0	1	391.424	0.652	20	50		GCGDMN
CCOc1cc(C(=O)NNC(=O)N2CC[NH+](C)CC2)ccc1OCC(=O)[O-]	ZINC001597005753	986330615	/nfs/dbraw/zinc/33/06/15/986330615.db2.gz	BZNZXEIBPYOBRV-UHFFFAOYSA-N	0	1	380.401	0.151	20	50		GCGDMN
CC[C@@H](CSC)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122180	608325054	/nfs/dbraw/zinc/32/50/54/608325054.db2.gz	XUMKLTNKSBIFBL-ZDUSSCGKSA-N	0	1	377.474	0.701	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824562370	608485632	/nfs/dbraw/zinc/48/56/32/608485632.db2.gz	GJGVHBLSCJNQMO-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824562847	608485787	/nfs/dbraw/zinc/48/57/87/608485787.db2.gz	KBVXQALNIZAACK-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824562371	608485831	/nfs/dbraw/zinc/48/58/31/608485831.db2.gz	GJGVHBLSCJNQMO-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
C#CC[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823839094	608519633	/nfs/dbraw/zinc/51/96/33/608519633.db2.gz	ZLCGXFVCYJCEAA-KRWDZBQOSA-N	0	1	389.419	0.982	20	50		GCGDMN
CCCCN(CCCO)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825285157	608562229	/nfs/dbraw/zinc/56/22/29/608562229.db2.gz	LLZQMVXHLZVHFX-UHFFFAOYSA-N	0	1	375.433	0.112	20	50		GCGDMN
O=C(NN=C1CCN(CCN2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738129544	945202250	/nfs/dbraw/zinc/20/22/50/945202250.db2.gz	UOVHVKWPBCRGNT-UHFFFAOYSA-N	0	1	398.471	0.381	20	50		GCGDMN
C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1	ZINC000819867953	945302435	/nfs/dbraw/zinc/30/24/35/945302435.db2.gz	VRIQSGQDQWXVQJ-ZDUSSCGKSA-N	0	1	387.444	0.657	20	50		GCGDMN
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000819939620	945316621	/nfs/dbraw/zinc/31/66/21/945316621.db2.gz	HFUWOHSFSFZZMS-UHFFFAOYSA-N	0	1	396.433	0.397	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)N[N-]C(=O)c2sccc2-c2nn[nH]n2)C[C@H](C)O1	ZINC000736284900	944787039	/nfs/dbraw/zinc/78/70/39/944787039.db2.gz	HOBWXZKJDWLCIG-AOOOYVTPSA-N	0	1	379.446	0.189	20	50		GCGDMN
C[C@H]1CN2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295463	944788380	/nfs/dbraw/zinc/78/83/80/944788380.db2.gz	UZZHTLKDLWGUGO-WFASDCNBSA-N	0	1	384.444	0.780	20	50		GCGDMN
COCCN1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007565	944930522	/nfs/dbraw/zinc/93/05/22/944930522.db2.gz	MWZAYDUNUQSZAQ-UJMHRVFCSA-N	0	1	384.444	0.258	20	50		GCGDMN
Cc1c(C=NNC(=O)CN(C)C)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1	ZINC000737211660	944987589	/nfs/dbraw/zinc/98/75/89/944987589.db2.gz	NNNXBDUHOSPYCB-UHFFFAOYSA-N	0	1	393.411	0.281	20	50		GCGDMN
C[C@H]1CCc2sc(C(=O)NNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2C1	ZINC000820733454	945539283	/nfs/dbraw/zinc/53/92/83/945539283.db2.gz	FYUFTSWEEJJXBZ-QMMMGPOBSA-N	0	1	387.429	0.106	20	50		GCGDMN
O=C(CN1CCC2(C1)CCOCC2)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997109	946255773	/nfs/dbraw/zinc/25/57/73/946255773.db2.gz	NGDFSHVDQJNCIR-UHFFFAOYSA-N	0	1	385.428	0.130	20	50		GCGDMN
CCc1cnccc1[C@@H](C)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825739474	947307662	/nfs/dbraw/zinc/30/76/62/947307662.db2.gz	DVTJAOIIADNMTP-GFCCVEGCSA-N	0	1	394.439	0.936	20	50		GCGDMN
CCc1cnccc1[C@H](C)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825740128	947309606	/nfs/dbraw/zinc/30/96/06/947309606.db2.gz	NXXFCRTYZVBTAA-LBPRGKRZSA-N	0	1	394.439	0.936	20	50		GCGDMN
CCc1cnccc1[C@@H](C)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825740127	947309797	/nfs/dbraw/zinc/30/97/97/947309797.db2.gz	NXXFCRTYZVBTAA-GFCCVEGCSA-N	0	1	394.439	0.936	20	50		GCGDMN
CN1c2ccccc2N(C)C1=C(C#N)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N	ZINC000826010123	947402539	/nfs/dbraw/zinc/40/25/39/947402539.db2.gz	DPTIKGUAKRXVIJ-UHFFFAOYSA-N	0	1	386.379	0.825	20	50		GCGDMN
CC(C)(C)OC(=O)N[C@H](C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)C(C)(C)O	ZINC001573862539	950466197	/nfs/dbraw/zinc/46/61/97/950466197.db2.gz	WIASLTJCUOJRIU-LLVKDONJSA-N	0	1	392.420	0.369	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1OC	ZINC001574195906	962876678	/nfs/dbraw/zinc/87/66/78/962876678.db2.gz	GKWGHGJIRBNMES-UHFFFAOYSA-N	0	1	379.413	0.652	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1	ZINC001605252752	973015218	/nfs/dbraw/zinc/01/52/18/973015218.db2.gz	BLRICXAMDGCDNP-JKSUJKDBSA-N	0	1	399.451	0.680	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1	ZINC001605252752	973015231	/nfs/dbraw/zinc/01/52/31/973015231.db2.gz	BLRICXAMDGCDNP-JKSUJKDBSA-N	0	1	399.451	0.680	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cc1C	ZINC001597817992	989450661	/nfs/dbraw/zinc/45/06/61/989450661.db2.gz	ISTULVRZLKDKCY-MNOVXSKESA-N	0	1	397.453	0.186	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@@H+]2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cc1C	ZINC001597817992	989450667	/nfs/dbraw/zinc/45/06/67/989450667.db2.gz	ISTULVRZLKDKCY-MNOVXSKESA-N	0	1	397.453	0.186	20	50		GCGDMN
C[NH+]1CCN(C(=O)NNC(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1	ZINC001598609038	993731642	/nfs/dbraw/zinc/73/16/42/993731642.db2.gz	JQZFWYCWAKPERU-UHFFFAOYSA-N	0	1	385.218	0.749	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(Br)cc1F	ZINC000826425412	607357999	/nfs/dbraw/zinc/35/79/99/607357999.db2.gz	BZADOTWBROZDOG-UHFFFAOYSA-N	0	1	382.157	0.503	20	50		GCGDMN
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nn[nH]n2)s1	ZINC000823277726	606519186	/nfs/dbraw/zinc/51/91/86/606519186.db2.gz	VIUKWMHWTLEIMV-UHFFFAOYSA-N	0	1	382.365	0.652	20	50		GCGDMN
O=C(CN1CCC[C@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410809	607924917	/nfs/dbraw/zinc/92/49/17/607924917.db2.gz	ZENRJJBPQXYSAX-LSDHHAIUSA-N	0	1	385.428	0.129	20	50		GCGDMN
Cc1c(C(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)sc2nccn12	ZINC000826234300	608392111	/nfs/dbraw/zinc/39/21/11/608392111.db2.gz	POIXCSPUEDOZMQ-UHFFFAOYSA-N	0	1	398.408	0.724	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562793	608485673	/nfs/dbraw/zinc/48/56/73/608485673.db2.gz	IRHMJXHAWQTHEK-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948824	609275347	/nfs/dbraw/zinc/27/53/47/609275347.db2.gz	ZTAHIXYTBCBAMK-LLVKDONJSA-N	0	1	375.408	0.814	20	50		GCGDMN
CCOC(=O)c1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000825560708	609296483	/nfs/dbraw/zinc/29/64/83/609296483.db2.gz	VVOULZDRRALMKO-VZUCSPMQSA-N	0	1	395.383	0.959	20	50		GCGDMN
COc1ccc2[nH]c(=NNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c(C)cc2c1	ZINC000826213681	609400745	/nfs/dbraw/zinc/40/07/45/609400745.db2.gz	HBEGAJHYOUENKQ-UHFFFAOYSA-N	0	1	380.372	0.467	20	50		GCGDMN
COC(=O)CNC(=O)NN=C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826138527	609523365	/nfs/dbraw/zinc/52/33/65/609523365.db2.gz	YIBBMMXSDBGREU-UHFFFAOYSA-N	0	1	386.416	0.291	20	50		GCGDMN
Cc1csc(CC(=O)NNC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1	ZINC001611221677	970941980	/nfs/dbraw/zinc/94/19/80/970941980.db2.gz	BMEBKJJLZGNVJR-UPJWGTAASA-N	0	1	380.470	0.859	20	50		GCGDMN
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1sccc1-c1nn[nH]n1	ZINC000735636344	944680997	/nfs/dbraw/zinc/68/09/97/944680997.db2.gz	VKCXCNKMUWGMOK-UHFFFAOYSA-N	0	1	396.433	0.397	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ccc(S(N)(=O)=O)s2)o1	ZINC000735939769	944721568	/nfs/dbraw/zinc/72/15/68/944721568.db2.gz	SHGVCZLYRHVBAI-UHFFFAOYSA-N	0	1	398.430	0.444	20	50		GCGDMN
C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291134	944788547	/nfs/dbraw/zinc/78/85/47/944788547.db2.gz	DIHWYQKGNZYYEG-SWLSCSKDSA-N	0	1	384.444	0.780	20	50		GCGDMN
C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295457	944790190	/nfs/dbraw/zinc/79/01/90/944790190.db2.gz	UZZHTLKDLWGUGO-IUODEOHRSA-N	0	1	384.444	0.780	20	50		GCGDMN
COCCN1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007560	944930396	/nfs/dbraw/zinc/93/03/96/944930396.db2.gz	MWZAYDUNUQSZAQ-NHXNDTTKSA-N	0	1	384.444	0.258	20	50		GCGDMN
COCCN1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007558	944931939	/nfs/dbraw/zinc/93/19/39/944931939.db2.gz	MWZAYDUNUQSZAQ-CKNOQMABSA-N	0	1	384.444	0.258	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)NC[C@H](C)N2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213513	945002842	/nfs/dbraw/zinc/00/28/42/945002842.db2.gz	USXICUVRESILFF-WFSQQTBHSA-N	0	1	397.487	0.173	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)N2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213511	945003703	/nfs/dbraw/zinc/00/37/03/945003703.db2.gz	USXICUVRESILFF-BPKVKKHESA-N	0	1	397.487	0.173	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213720	945005624	/nfs/dbraw/zinc/00/56/24/945005624.db2.gz	WDYFGMNSXKNCCZ-WFSQQTBHSA-N	0	1	397.487	0.173	20	50		GCGDMN
CN(CCC1CCOCC1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821599110	945735611	/nfs/dbraw/zinc/73/56/11/945735611.db2.gz	GDMGRQJDWRTWPC-UHFFFAOYSA-N	0	1	387.444	0.376	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC(c3nc[nH]n3)CC2)cc(-c2nn[nH]n2)n1C	ZINC000822027631	945936569	/nfs/dbraw/zinc/93/65/69/945936569.db2.gz	IUIWHIDDRPKZHG-AUWJEWJLSA-N	0	1	392.427	0.945	20	50		GCGDMN
Cc1cc(C[C@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)n[nH]1	ZINC000822199781	945985179	/nfs/dbraw/zinc/98/51/79/945985179.db2.gz	HOPFKOSNKDCMOI-JTQLQIEISA-N	0	1	399.415	0.239	20	50		GCGDMN
Cn1nc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cs2)c2ccccc2c1=O	ZINC000822705115	946164601	/nfs/dbraw/zinc/16/46/01/946164601.db2.gz	WAYZYKFLHZTLGN-UHFFFAOYSA-N	0	1	396.392	0.250	20	50		GCGDMN
O=C(CSc1n[nH]c(=S)s1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823070976	946303189	/nfs/dbraw/zinc/30/31/89/946303189.db2.gz	VTSVTVIZPZNKMC-UHFFFAOYSA-N	0	1	394.467	0.560	20	50		GCGDMN
CC(=O)NCc1ccc(CNC(=O)NN=c2ccc(-c3nn[nH]n3)c[nH]2)cc1	ZINC001573533118	946709601	/nfs/dbraw/zinc/70/96/01/946709601.db2.gz	HZHQEPOIHSQWJH-UHFFFAOYSA-N	0	1	381.400	0.724	20	50		GCGDMN
CCc1cnccc1[C@H](C)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825739476	947308243	/nfs/dbraw/zinc/30/82/43/947308243.db2.gz	DVTJAOIIADNMTP-LBPRGKRZSA-N	0	1	394.439	0.936	20	50		GCGDMN
Cc1ccncc1[C@@H](C)NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826315628	947921514	/nfs/dbraw/zinc/92/15/14/947921514.db2.gz	ONRJELYECLSWKU-GFCCVEGCSA-N	0	1	380.412	0.682	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2COc3ccc(O)cc3O2)o1	ZINC001574424953	948868852	/nfs/dbraw/zinc/86/88/52/948868852.db2.gz	YLSVGTKYNDKMSE-LLVKDONJSA-N	0	1	387.356	0.967	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1OC	ZINC000818578999	955404539	/nfs/dbraw/zinc/40/45/39/955404539.db2.gz	YFNUGPYOAOFLIO-LBPRGKRZSA-N	0	1	379.413	0.652	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)C3(C(=O)[O-])CCC3)CC2)cc1	ZINC001574366816	961044054	/nfs/dbraw/zinc/04/40/54/961044054.db2.gz	RKYZGMAYGOQGEX-UHFFFAOYSA-N	0	1	388.468	0.515	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1	ZINC001605252751	973014925	/nfs/dbraw/zinc/01/49/25/973014925.db2.gz	BLRICXAMDGCDNP-HZPDHXFCSA-N	0	1	399.451	0.680	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1	ZINC001605252751	973014939	/nfs/dbraw/zinc/01/49/39/973014939.db2.gz	BLRICXAMDGCDNP-HZPDHXFCSA-N	0	1	399.451	0.680	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C	ZINC001597817991	989450492	/nfs/dbraw/zinc/45/04/92/989450492.db2.gz	ISTULVRZLKDKCY-GHMZBOCLSA-N	0	1	397.453	0.186	20	50		GCGDMN
CCc1sc(C(=O)NNC(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C	ZINC001597817991	989450496	/nfs/dbraw/zinc/45/04/96/989450496.db2.gz	ISTULVRZLKDKCY-GHMZBOCLSA-N	0	1	397.453	0.186	20	50		GCGDMN
C[N@@H+](CCOc1cccc(CNC(=O)NNC(=O)C(=O)[O-])c1)C1CCOCC1	ZINC001598499899	992420186	/nfs/dbraw/zinc/42/01/86/992420186.db2.gz	ZVECGFPUVVQAEZ-UHFFFAOYSA-N	0	1	394.428	0.091	20	50		GCGDMN
O=C(CN1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410346	607527545	/nfs/dbraw/zinc/52/75/45/607527545.db2.gz	KQRGAIDNLYMXOR-CVEARBPZSA-N	0	1	399.455	0.376	20	50		GCGDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000833629230	605200517	/nfs/dbraw/zinc/20/05/17/605200517.db2.gz	SNRHYXWUZFHIRL-GFCCVEGCSA-N	0	1	382.848	0.582	20	50		GCGDMN
CC(C)(C)C(=O)NNC(=O)CN[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1	ZINC000833422335	605219153	/nfs/dbraw/zinc/21/91/53/605219153.db2.gz	YATIBONMIBYOFZ-HXUWFJFHSA-N	0	1	390.484	0.889	20	50		GCGDMN
O=C(CN1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410441	607859526	/nfs/dbraw/zinc/85/95/26/607859526.db2.gz	NJUGTMXAGHRXGL-MRXNPFEDSA-N	0	1	399.455	0.376	20	50		GCGDMN
CC(C)(C)CN(CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824086502	607922049	/nfs/dbraw/zinc/92/20/49/607922049.db2.gz	MPYGKLYPHWHIOD-UHFFFAOYSA-N	0	1	389.460	0.358	20	50		GCGDMN
O=C(CN[C@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412232	608432789	/nfs/dbraw/zinc/43/27/89/608432789.db2.gz	HGDDAJIOZKGHTB-MRXNPFEDSA-N	0	1	395.423	0.341	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562515	608485833	/nfs/dbraw/zinc/48/58/33/608485833.db2.gz	GUCOKQZPYCBQJO-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[nH]c1C	ZINC000825565508	609397031	/nfs/dbraw/zinc/39/70/31/609397031.db2.gz	UEQZDRCUVVTBGG-UHFFFAOYSA-N	0	1	398.383	0.664	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[nH]c1C	ZINC000825565298	609397350	/nfs/dbraw/zinc/39/73/50/609397350.db2.gz	QLWCFLAHPFIGMW-UHFFFAOYSA-N	0	1	398.383	0.664	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC(=O)NCC(F)(F)F)o1	ZINC000824358164	609500130	/nfs/dbraw/zinc/50/01/30/609500130.db2.gz	AQZXJWJIFDCNPT-UHFFFAOYSA-N	0	1	376.299	0.490	20	50		GCGDMN
Cc1ncsc1C(=O)NNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737500128	945084377	/nfs/dbraw/zinc/08/43/77/945084377.db2.gz	OFVRSWXGCWLNAV-WCIBSUBMSA-N	0	1	397.424	0.647	20	50		GCGDMN
Cn1cc(C(=O)NN=C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1	ZINC000737601386	945100604	/nfs/dbraw/zinc/10/06/04/945100604.db2.gz	CYLZSRKUJGXGQH-UHFFFAOYSA-N	0	1	379.428	0.982	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)o1	ZINC000735938873	944716335	/nfs/dbraw/zinc/71/63/35/944716335.db2.gz	FXTLLNKJQAYUBV-UHFFFAOYSA-N	0	1	390.364	0.961	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)o1	ZINC000735939786	944722168	/nfs/dbraw/zinc/72/21/68/944722168.db2.gz	SUYGZUNTBLREHH-PBINXNQUSA-N	0	1	375.389	0.663	20	50		GCGDMN
COCCN1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007563	944931168	/nfs/dbraw/zinc/93/11/68/944931168.db2.gz	MWZAYDUNUQSZAQ-OWTLUSIOSA-N	0	1	384.444	0.258	20	50		GCGDMN
CSc1[nH]c(=O)c(C(=O)NNC(=O)Cc2ccsc2)cc1-c1nn[nH]n1	ZINC000737185791	944978449	/nfs/dbraw/zinc/97/84/49/944978449.db2.gz	COXYCSYQAVPVLR-UHFFFAOYSA-N	0	1	391.438	0.754	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)N2CCN(C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213514	945004031	/nfs/dbraw/zinc/00/40/31/945004031.db2.gz	USXICUVRESILFF-WPBJZHHJSA-N	0	1	397.487	0.173	20	50		GCGDMN
C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1	ZINC000820750550	945544780	/nfs/dbraw/zinc/54/47/80/945544780.db2.gz	BRYOLCGOGNQDEX-BETUJISGSA-N	0	1	387.444	0.056	20	50		GCGDMN
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)c1	ZINC000821936509	945905640	/nfs/dbraw/zinc/90/56/40/945905640.db2.gz	BFAYFGWVORQQJN-UHFFFAOYSA-N	0	1	392.422	0.407	20	50		GCGDMN
C[C@@H](C(=O)NNc1cc(Cl)nc2ncccc12)n1cnc(-c2nn[nH]n2)n1	ZINC001573728329	948562359	/nfs/dbraw/zinc/56/23/59/948562359.db2.gz	DCIVYXSBKFDFEQ-ZETCQYMHSA-N	0	1	385.779	0.759	20	50		GCGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2COc3ccc(O)cc3O2)o1	ZINC001574424954	948866180	/nfs/dbraw/zinc/86/61/80/948866180.db2.gz	YLSVGTKYNDKMSE-NSHDSACASA-N	0	1	387.356	0.967	20	50		GCGDMN
COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1	ZINC001593967222	956567535	/nfs/dbraw/zinc/56/75/35/956567535.db2.gz	RBRGIAXCYPCEJM-KRWDZBQOSA-N	0	1	399.831	0.533	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)CCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1	ZINC000736808847	978357438	/nfs/dbraw/zinc/35/74/38/978357438.db2.gz	JTXWEDGBQPUCIF-OKILXGFUSA-N	0	1	377.441	0.964	20	50		GCGDMN
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833756301	605045198	/nfs/dbraw/zinc/04/51/98/605045198.db2.gz	JYEDTBZMACLZSF-GFCCVEGCSA-N	0	1	388.428	0.478	20	50		GCGDMN
O=C(CN1CCC[C@@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410806	607924769	/nfs/dbraw/zinc/92/47/69/607924769.db2.gz	ZENRJJBPQXYSAX-CABCVRRESA-N	0	1	385.428	0.129	20	50		GCGDMN
CCCCS(=O)(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825296731	608046253	/nfs/dbraw/zinc/04/62/53/608046253.db2.gz	UOZUKPBEWKNATE-UHFFFAOYSA-N	0	1	386.438	0.141	20	50		GCGDMN
COc1cccc([C@H](C)NCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826214640	608432360	/nfs/dbraw/zinc/43/23/60/608432360.db2.gz	RZOQUQRRASIWRL-LBPRGKRZSA-N	0	1	395.423	0.987	20	50		GCGDMN
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948825	609275441	/nfs/dbraw/zinc/27/54/41/609275441.db2.gz	ZTAHIXYTBCBAMK-NSHDSACASA-N	0	1	375.408	0.814	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)COc2cccc(-c3nn[nH]n3)c2)[nH]c1C	ZINC000825564641	609397152	/nfs/dbraw/zinc/39/71/52/609397152.db2.gz	BHBVYZXVBYNRRK-UHFFFAOYSA-N	0	1	398.383	0.664	20	50		GCGDMN
Cc1oc2nc[nH]c(=O)c2c1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737552915	945094411	/nfs/dbraw/zinc/09/44/11/945094411.db2.gz	SRLGXIUGTSRZKI-UHFFFAOYSA-N	0	1	380.324	0.492	20	50		GCGDMN
O=C(NN=C1CCN(CCN2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129209	945198944	/nfs/dbraw/zinc/19/89/44/945198944.db2.gz	QPUQPMNNYJCLDV-UHFFFAOYSA-N	0	1	398.471	0.381	20	50		GCGDMN
CC(=O)c1csc(C(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000735505693	944669463	/nfs/dbraw/zinc/66/94/63/944669463.db2.gz	VCJXIJPTGKKLNY-UHFFFAOYSA-N	0	1	386.393	0.971	20	50		GCGDMN
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2C1	ZINC000820733452	945540354	/nfs/dbraw/zinc/54/03/54/945540354.db2.gz	FYUFTSWEEJJXBZ-MRVPVSSYSA-N	0	1	387.429	0.106	20	50		GCGDMN
C[C@]1(CCCO)CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818165	946945407	/nfs/dbraw/zinc/94/54/07/946945407.db2.gz	SMHUQHIERCFUHI-GOSISDBHSA-N	0	1	387.444	0.255	20	50		GCGDMN
Cc1ccncc1[C@@H](C)NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826315966	947923345	/nfs/dbraw/zinc/92/33/45/947923345.db2.gz	ZPJVIDOHGCNMSW-GFCCVEGCSA-N	0	1	380.412	0.682	20	50		GCGDMN
O=C([O-])[C@@H]1C[N@@H+](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1	ZINC001594694802	956765831	/nfs/dbraw/zinc/76/58/31/956765831.db2.gz	WQQMWDLFYRGGRZ-UONOGXRCSA-N	0	1	376.369	0.398	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@H](C(=O)[O-])C3CC3)CC2)cc1	ZINC001594358945	958433165	/nfs/dbraw/zinc/43/31/65/958433165.db2.gz	YGWYZGPRSBAJFN-GOSISDBHSA-N	0	1	388.468	0.371	20	50		GCGDMN
C[NH+](C)CC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC001598197032	990803683	/nfs/dbraw/zinc/80/36/83/990803683.db2.gz	OHMKAMSYFSOVKF-UHFFFAOYSA-N	0	1	376.291	0.051	20	50		GCGDMN
Cc1cc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1Br	ZINC000826271326	607394902	/nfs/dbraw/zinc/39/49/02/607394902.db2.gz	NEABIXHHCRUIFO-UHFFFAOYSA-N	0	1	378.194	0.672	20	50		GCGDMN
CS[C@H]1CCCCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227076	607475439	/nfs/dbraw/zinc/47/54/39/607475439.db2.gz	LHRWWJMPWRECSO-AWEZNQCLSA-N	0	1	389.485	0.845	20	50		GCGDMN
CS[C@@H]1CCCCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227079	607475533	/nfs/dbraw/zinc/47/55/33/607475533.db2.gz	LIXJOGGCUONKNT-CQSZACIVSA-N	0	1	389.485	0.845	20	50		GCGDMN
Cc1ccc(C[NH+]2CCN(CC(=O)NNC(=O)[C@@H](C)CC(=O)[O-])CC2)cc1	ZINC000832932214	604299664	/nfs/dbraw/zinc/29/96/64/604299664.db2.gz	DFTCIMNBHHTURU-HNNXBMFYSA-N	0	1	376.457	0.371	20	50		GCGDMN
Cc1nc2ccccn2c1C(=O)NNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833756308	605044974	/nfs/dbraw/zinc/04/49/74/605044974.db2.gz	JYEDTBZMACLZSF-LBPRGKRZSA-N	0	1	388.428	0.478	20	50		GCGDMN
CC[C@H](CSC)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122179	608325069	/nfs/dbraw/zinc/32/50/69/608325069.db2.gz	XUMKLTNKSBIFBL-CYBMUJFWSA-N	0	1	377.474	0.701	20	50		GCGDMN
COc1ccc([C@@H](C)NCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000826188268	608431770	/nfs/dbraw/zinc/43/17/70/608431770.db2.gz	RVPFLHMJCPEPHM-GFCCVEGCSA-N	0	1	395.423	0.987	20	50		GCGDMN
CCOC(=O)c1cnc(=NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)[nH]c1C	ZINC000825565647	609397278	/nfs/dbraw/zinc/39/72/78/609397278.db2.gz	XFQGLWAWUKISOL-UHFFFAOYSA-N	0	1	397.399	0.697	20	50		GCGDMN
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737552390	945094852	/nfs/dbraw/zinc/09/48/52/945094852.db2.gz	OPKXGJUUOUCUJS-UHFFFAOYSA-N	0	1	394.351	0.090	20	50		GCGDMN
C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291133	944789043	/nfs/dbraw/zinc/78/90/43/944789043.db2.gz	DIHWYQKGNZYYEG-IUODEOHRSA-N	0	1	384.444	0.780	20	50		GCGDMN
CCc1cc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)n[nH]1	ZINC000736675478	944866777	/nfs/dbraw/zinc/86/67/77/944866777.db2.gz	MLDMMBGJINMDTG-UHFFFAOYSA-N	0	1	385.388	0.062	20	50		GCGDMN
C[NH+](C)CC(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1	ZINC000736761458	944887139	/nfs/dbraw/zinc/88/71/39/944887139.db2.gz	FYWPWPRWXWKSEP-UHFFFAOYSA-N	0	1	385.384	0.361	20	50		GCGDMN
COCCN1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006361	944931215	/nfs/dbraw/zinc/93/12/15/944931215.db2.gz	GZWXJKBBVFVCFA-HTRKUNOGSA-N	0	1	398.471	0.648	20	50		GCGDMN
COc1ccc(NC(=S)NNC(=O)c2sccc2-c2nn[nH]n2)cn1	ZINC000737104004	944959293	/nfs/dbraw/zinc/95/92/93/944959293.db2.gz	NUNOQWFFVPBFAX-UHFFFAOYSA-N	0	1	376.427	0.963	20	50		GCGDMN
Cc1c(C=C(C#N)C(=O)N2CCC(c3nc[nH]n3)CC2)cc(-c2nn[nH]n2)n1C	ZINC000822027633	945937207	/nfs/dbraw/zinc/93/72/07/945937207.db2.gz	IUIWHIDDRPKZHG-VGOFMYFVSA-N	0	1	392.427	0.945	20	50		GCGDMN
Cn1c(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)nc2ccccc21	ZINC000822596662	946133892	/nfs/dbraw/zinc/13/38/92/946133892.db2.gz	PQGKWTHOBSZXMC-UHFFFAOYSA-N	0	1	382.409	0.819	20	50		GCGDMN
O=C(NN=C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1COCCO1	ZINC000823269512	946366607	/nfs/dbraw/zinc/36/66/07/946366607.db2.gz	IGWXGOLMMAHKKX-INIZCTEOSA-N	0	1	385.428	0.350	20	50		GCGDMN
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc21)c1cc(-c2nn[nH]n2)cs1	ZINC000823277264	946400318	/nfs/dbraw/zinc/40/03/18/946400318.db2.gz	IOFPFHCRMWBSPX-UHFFFAOYSA-N	0	1	382.365	0.652	20	50		GCGDMN
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC001573851917	950296642	/nfs/dbraw/zinc/29/66/42/950296642.db2.gz	AMSSQCLRJOLCJY-VIFPVBQESA-N	0	1	393.429	0.699	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1	ZINC001605252749	973015156	/nfs/dbraw/zinc/01/51/56/973015156.db2.gz	BLRICXAMDGCDNP-CVEARBPZSA-N	0	1	399.451	0.680	20	50		GCGDMN
Cc1ccc(C(=O)NNC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1	ZINC001605252749	973015168	/nfs/dbraw/zinc/01/51/68/973015168.db2.gz	BLRICXAMDGCDNP-CVEARBPZSA-N	0	1	399.451	0.680	20	50		GCGDMN
CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001603609260	973873548	/nfs/dbraw/zinc/87/35/48/973873548.db2.gz	FZQRVNWUNHAKMM-KRWDZBQOSA-N	0	1	378.385	0.933	20	50		GCGDMN
CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC001603609262	973874090	/nfs/dbraw/zinc/87/40/90/973874090.db2.gz	FZQRVNWUNHAKMM-QGZVFWFLSA-N	0	1	378.385	0.933	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC	ZINC001604763825	973980937	/nfs/dbraw/zinc/98/09/37/973980937.db2.gz	DYWXEISEBCVLRK-DGCLKSJQSA-N	0	1	379.413	0.507	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](C)O1	ZINC000736807272	978357730	/nfs/dbraw/zinc/35/77/30/978357730.db2.gz	GKSHAGFQAHPKSV-BETUJISGSA-N	0	1	379.413	0.410	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC	ZINC001599484094	996815512	/nfs/dbraw/zinc/81/55/12/996815512.db2.gz	PVMWRKKEZVAKKU-DJJJIMSYSA-N	0	1	391.424	0.652	20	50		GCGDMN
COc1ccc(C(=O)NNC(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1OC	ZINC001599484568	996825023	/nfs/dbraw/zinc/82/50/23/996825023.db2.gz	YHLXMJLYTSTOKJ-CYBMUJFWSA-N	0	1	379.413	0.794	20	50		GCGDMN
O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(OCC(F)(F)F)cc1	ZINC000826425374	607397191	/nfs/dbraw/zinc/39/71/91/607397191.db2.gz	AOGZAELUCBDOBD-UHFFFAOYSA-N	0	1	383.294	0.543	20	50		GCGDMN
O=C(CN1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410347	607527862	/nfs/dbraw/zinc/52/78/62/607527862.db2.gz	KQRGAIDNLYMXOR-HOTGVXAUSA-N	0	1	399.455	0.376	20	50		GCGDMN
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)CCc2ccccc2C(=O)[O-])C[C@H](C)O1	ZINC000833622438	604881570	/nfs/dbraw/zinc/88/15/70/604881570.db2.gz	PHDXTXRSRZNVJD-OKILXGFUSA-N	0	1	377.441	0.964	20	50		GCGDMN
O=C(CN1CC[C@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410440	607859285	/nfs/dbraw/zinc/85/92/85/607859285.db2.gz	NJUGTMXAGHRXGL-INIZCTEOSA-N	0	1	399.455	0.376	20	50		GCGDMN
O=C(CN1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410173	607859383	/nfs/dbraw/zinc/85/93/83/607859383.db2.gz	FLWCLTFIPYYRLQ-MRXNPFEDSA-N	0	1	399.455	0.376	20	50		GCGDMN
CCC(CC)N(CCOC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825107097	607922043	/nfs/dbraw/zinc/92/20/43/607922043.db2.gz	LQNXSZSYNSCZCL-UHFFFAOYSA-N	0	1	389.460	0.765	20	50		GCGDMN
C[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824563473	608462175	/nfs/dbraw/zinc/46/21/75/608462175.db2.gz	PDYLTRBDLJRCDN-GFCCVEGCSA-N	0	1	390.407	0.850	20	50		GCGDMN
C[C@H](NCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564848	608462262	/nfs/dbraw/zinc/46/22/62/608462262.db2.gz	WTJNZXHPUMSGKS-LBPRGKRZSA-N	0	1	390.407	0.850	20	50		GCGDMN
Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NNc1cc[nH+]cc1	ZINC000826328626	609172538	/nfs/dbraw/zinc/17/25/38/609172538.db2.gz	XWYNSZFEKLSEEA-UHFFFAOYSA-N	0	1	378.400	0.419	20	50		GCGDMN
Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NNc1cc[nH+]cc1	ZINC000826328626	609172539	/nfs/dbraw/zinc/17/25/39/609172539.db2.gz	XWYNSZFEKLSEEA-UHFFFAOYSA-N	0	1	378.400	0.419	20	50		GCGDMN